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Sample records for 2-h post-ogtt plasma

  1. Predictors of future fasting and 2-h post-OGTT plasma glucose levels in middle-aged men and women-the Inter99 study

    DEFF Research Database (Denmark)

    Faerch, K; Vaag, A; Witte, D R;

    2009-01-01

    elevations of FPG levels were different from those predicting elevations of 2hPG levels in men and women. METHODS: We used baseline and 5-year follow-up data from middle-aged men and women with normal glucose tolerance (NGT) at baseline in the Danish population-based Inter99 study (n = 3164). Anthropometric...... and non-anthropometric baseline predictors of the 5-year FPG and 2hPG levels were estimated in linear regression models stratified by gender. RESULTS: In men, but not in women, smoking and family history of diabetes predicted increased FPG levels, whereas high physical activity predicted a decline in 2h......PG levels. Among the anthropometric variables, large waist circumference was the strongest predictor of increased FPG levels in men, whereas high body mass index (BMI) was the strongest predictor of increased FPG levels in women. In both men and women, BMI and waist circumference were equally strong...

  2. PLASMA POLYMERIZATION OF ACETYLENE/CO2/H2

    Institute of Scientific and Technical Information of China (English)

    ZHENG Ji; FANG Yuee; SHI Tianyi; SHOHEI INOUE

    1989-01-01

    A study has been made on the plasma polymerization of acetylene/CO2/H2 in a capacitively coupled RF plasma. The monomer mixture yielded a crosslinked film with light brown color. A kinetic study is reported for the plasma polymerization of acetylene/CO2/H2. The effects of discharge power level and reactor geometry on the rate of polymer formation are reported. The structure of the plasma polymer is investigated by IR study.

  3. Clinical significance of 2 h plasma concentrations of first-line anti-tuberculosis drugs

    DEFF Research Database (Denmark)

    Prahl, Julie B; Johansen, Isik S; Cohen, Arieh S;

    2014-01-01

    OBJECTIVES: To study 2 h plasma concentrations of the first-line tuberculosis drugs isoniazid, rifampicin, ethambutol and pyrazinamide in a cohort of patients with tuberculosis in Denmark and to determine the relationship between the concentrations and the clinical outcome. METHODS: After 6......-207 days of treatment (median 34 days) 2 h blood samples were collected from 32 patients with active tuberculosis and from three patients receiving prophylactic treatment. Plasma concentrations were determined using LC-MS/MS. Normal ranges were obtained from the literature. Clinical charts were reviewed...... failure occurred more frequently when the concentrations of isoniazid and rifampicin were both below the normal ranges (P = 0.013) and even more frequently when they were below the median 2 h drug concentrations obtained in the study (P = 0.005). CONCLUSIONS: At 2 h, plasma concentrations of isoniazid...

  4. Involvement of Plasma Membrane Ca2+/H+ Antiporter in Cd2+ Tolerance

    Directory of Open Access Journals (Sweden)

    Guo-ming SHEN

    2012-06-01

    Full Text Available Cation exchangers (CAXs belong to the cation/Ca2+ exchanger superfamily which have been extensively investigated in plant tonoplasts over the last decade. Recently, the roles of CAXs involved in heavy metal accumulation and tolerance in plants have been studied for phytoremediation and food security. In this mini review, we summarize the roles of the Ca2+/H+ antiporter in Ca2+ signal transduction, maintaining ion homeostasis and sequestering heavy metals into the vacuole. Moreover, we present a possible role of the plasma membrane Ca2+/H+ antiporter in heavy metal detoxification.

  5. Infrared fingerprints and periodic formation of nanoparticles in Ar/C2H2 plasmas

    Science.gov (United States)

    Kovačević, Eva; Stefanović, Ilija; Berndt, Johannes; Winter, Jörg

    2003-03-01

    The formation of dust particles in argon diluted C2H2 plasmas was studied by means of Fourier transform infrared absorption spectroscopy and mass spectroscopy. The detection limit for infrared absorption was significantly improved by the use of a multipass technique. Measuring the intensity of the Rayleigh/Mie scattering of the infrared signal we found a periodicity of dust formation/vanishing (period of about 35 min in our experimental conditions). The fast disappearance of the dust from the plasma region at the end of every period is the evidence of a narrow particle size distribution, as confirmed by secondary electron micrographs of the collected powder. Characteristic infrared absorption features have their origin in absorption within the dust particles. Besides the strong presence of aliphatic hydrocarbons characteristic for amorphous hydrocarbon films, a significant amount of aromatic structures was detected. Heavy positive ions measured by ion-mass spectroscopy originate from polyacetilenic (C2nH2) and aromatic compounds. Time resolved mass spectra gave insight into the plasma response to the dust formation.

  6. Plasma-catalytic Selective Reduction of NO with C2H4 in the Presence of Excess Oxygen

    Institute of Scientific and Technical Information of China (English)

    Qi SUN; Ai Min ZHU; Xue Feng YANG; Jin Hai NIU; Yong XU; Zhi Min SONG; Jing LIU

    2005-01-01

    This paper reports observations of significant synergistic effects between dielectric barrier discharge (DBD) plasmas and Cu-ZSM-5 catalysts for C2H4 selective reduction of NOx at250 ℃ in the presence of excess oxygen by using a one-stage plasma-over-catalyst (POC) reactor.With the reactant gas mixture of 530 ppm NO, 650 ppm C2H4, 5.8% O2 in N2and GHSV = 12000h-1, the pure catalytic, pure plasma-induced (discharges over fused silica pellets) and plasmacatalytic (in the POC reactor) NOx conversion are 39%, 1.5% and 79%, respectively. The in-situ optical emission spectra of the reactive systems imply some short-lived active species formed from plasma-induced and plasma-catalytic processes may be responsible to the observed synergistic effects in this one-stage POC system.

  7. Dynamics of the formation and loss of boron atoms in a H2/B2H6 microwave plasma

    Science.gov (United States)

    Duluard, C. Y.; Aubert, X.; Sadeghi, N.; Gicquel, A.

    2016-09-01

    For further improvements in doped-diamond deposition technology, an understanding of the complex chemistry in H2/CH4/B2H6 plasmas is of general importance. In this context, a H2/B2H6 plasma ignited by microwave power in a near resonant cavity at high pressure (100-200 mbar) is studied to measure the B-atom density in the ground state. The discharge is ignited in the gas mixture (0-135 ppm B2H6 in H2) by a 2.45 GHz microwave generator, leading to the formation of a hemispheric plasma core, surrounded by a faint discharge halo filling the remaining reactor volume. Measurements with both laser induced fluorescence and resonant absoption with a boron hollow cathode lamp indicate that the B-atom density is higher in the halo than in the plasma core. When the absorption line-of-sight is positioned in the halo, the absorption is so strong that the upper detection limit is reached. To understand the mechanisms of creation and loss of boron atoms, time-resolved absorption measurements have been carried out in a pulsed plasma regime (10 Hz, duty cycle 50%). The study focuses on the influence of the total pressure, the partial pressure of B2H6, as well as the source power, on the growth and decay rates of boron atoms when the plasma is turned off.

  8. Low-Temperature Plasma-Catalytic Reduction of Nox by C2H2 in the Presence of Excess Oxygen

    Institute of Scientific and Technical Information of China (English)

    NIU Jinhai; ZHANG Zhihui; LIU Dongping; WANG Qi

    2008-01-01

    Synergistic effects of pulsed DC dielectric barrier discharge (DBD) plasma and In-dium modified HZSM-5 (In/HZSM-5) catalyst for C2H2 selective reduction of Nox at 200℃, in the presence of enriched oxygen by using a one-stage plasma-over-catalyst (POC) reactor, are reported. With a reactant gas mixture of 480 ppm NO, 500 ppm C2H2, 13.0% O2 in N2 and gas hourly space velocity (GHSV) = 10000 h-1, pure catalytic, pure plasma-induced (discharges over fused silica pellets) and plasma-catalytic Nox conversion percentages are 45.0%, 4.0% and 92.2%, respectively. Nox conversion rates and energy costs were also compared for pulsed DC DBD and AC DBD reactors.

  9. Microwave Plasma-Activated Chemical Vapor Deposition of Nitrogen-Doped Diamond. II: CH4/N2/H2 Plasmas.

    Science.gov (United States)

    Truscott, Benjamin S; Kelly, Mark W; Potter, Katie J; Ashfold, Michael N R; Mankelevich, Yuri A

    2016-11-03

    We report a combined experimental and modeling study of microwave-activated dilute CH4/N2/H2 plasmas, as used for chemical vapor deposition (CVD) of diamond, under very similar conditions to previous studies of CH4/H2, CH4/H2/Ar, and N2/H2 gas mixtures. Using cavity ring-down spectroscopy, absolute column densities of CH(X, v = 0), CN(X, v = 0), and NH(X, v = 0) radicals in the hot plasma have been determined as functions of height, z, source gas mixing ratio, total gas pressure, p, and input power, P. Optical emission spectroscopy has been used to investigate, with respect to the same variables, the relative number densities of electronically excited species, namely, H atoms, CH, C2, CN, and NH radicals and triplet N2 molecules. The measurements have been reproduced and rationalized from first-principles by 2-D (r, z) coupled kinetic and transport modeling, and comparison between experiment and simulation has afforded a detailed understanding of C/N/H plasma-chemical reactivity and variations with process conditions and with location within the reactor. The experimentally validated simulations have been extended to much lower N2 input fractions and higher microwave powers than were probed experimentally, providing predictions for the gas-phase chemistry adjacent to the diamond surface and its variation across a wide range of conditions employed in practical diamond-growing CVD processes. The strongly bound N2 molecule is very resistant to dissociation at the input MW powers and pressures prevailing in typical diamond CVD reactors, but its chemical reactivity is boosted through energy pooling in its lowest-lying (metastable) triplet state and subsequent reactions with H atoms. For a CH4 input mole fraction of 4%, with N2 present at 1-6000 ppm, at pressure p = 150 Torr, and with applied microwave power P = 1.5 kW, the near-substrate gas-phase N atom concentration, [N]ns, scales linearly with the N2 input mole fraction and exceeds the concentrations [NH]ns, [NH2]ns

  10. Association of television viewing with fasting and 2-h postchallenge plasma glucose levels in adults without diagnosed diabetes.

    Science.gov (United States)

    Dunstan, David W; Salmon, Jo; Healy, Genevieve N; Shaw, Jonathan E; Jolley, Damien; Zimmet, Paul Z; Owen, Neville

    2007-03-01

    We examined the associations of television viewing time with fasting plasma glucose (FPG) and 2-h postchallenge plasma glucose (2-h PG) levels in Australian adults. A total of 8,357 adults aged > 35 years who were free from diagnosed diabetes and who attended a population-based cross-sectional study (Australian Diabetes, Obesity and Lifestyle Study [AusDiab]) were evaluated. Measures of FPG and 2-h PG were obtained from an oral glucose tolerance test. Self-reported television viewing time (in the previous week) was assessed using an interviewer-administered questionnaire. Homeostasis model assessment (HOMA) of insulin sensitivity (HOMA-%S) and beta-cell function (HOMA-%B) were calculated based on fasting glucose and insulin concentrations. After adjustment for confounders and physical activity time, time spent watching television in women was positively associated with 2-h PG, log fasting insulin, and log HOMA-%B and inversely associated with log HOMA-%S (P or = 4.0) for 2-h PG in women were 0 (reference), 0.009, 0.047, 0.473, and 0.501, respectively (P for trend = 0.02). Our findings highlight the unique deleterious relationship of sedentary behavior (indicated by television viewing time) and glycemic measures independent of physical activity time and adiposity status. These relationships differed according to sex and type of glucose measurement, with the 2-h PG measure being more strongly associated with television viewing. The findings suggest an important role for reducing sedentary behavior in the prevention of type 2 diabetes and cardiovascular disease, especially in women.

  11. Plasma chemistry and diagnostic in an Ar-N{sub 2}-H{sub 2} microwave expanding plasma used for nitriding treatments

    Energy Technology Data Exchange (ETDEWEB)

    Touimi, S; Jauberteau, J L; Jauberteau, I; Aubreton, J, E-mail: jean-louis.jauberteau@unilim.f [SPCTS-UMR 6638 CNRS, Faculte des Sciences, 123 av A. Thomas, 87060 Limoges (France)

    2010-05-26

    This paper reports on the mass spectrometry analysis performed downstream a microwave discharge in an Ar-N{sub 2}-H{sub 2} gas mixture under nitriding conditions. Investigations are focused on the main simple radicals NH{sub 2}, NH and N, and on the molecular species NH{sub 3} and N{sub 2}H{sub 2} produced. Because of wall desorptions due to catalytic effects, we must develop a specific method taking into account both wall desorption and the dissociative ionization effects in order to correct the mass spectrometer signal intensity. The relative concentrations of the above-mentioned species are studied in various gas mixtures. Correlations are made between the plasma chemistry and the plasma parameters (electron density and energy electron distribution function), measured by means of a Langmuir probe spatially resolved within the plasma expansion. These results show the efficiency of ternary gas mixtures (Ar-N{sub 2}-H{sub 2}) in producing electrons and N{sub x}H{sub y} species used in plasma nitriding processes.

  12. 2-h postchallenge plasma glucose predicts cardiovascular events in patients with myocardial infarction without known diabetes mellitus

    Directory of Open Access Journals (Sweden)

    Henareh Loghman

    2012-08-01

    Full Text Available Abstract Background and purpose The incidence of cardiovascular events remains high in patients with myocardial infarction (MI despite advances in current therapies. New and better methods for identifying patients at high risk of recurrent cardiovascular (CV events are needed. This study aimed to analyze the predictive value of an oral glucose tolerance test (OGTT in patients with acute myocardial infarction without known diabetes mellitus (DM. Methods The prospective cohort study consisted of 123 men and women aged between 31–80 years who had suffered a previous MI 3–12 months before the examinations. The exclusion criteria were known diabetes mellitus. Patients were followed up over 6.03 ± 1.36 years for CV death, recurrent MI, stroke and unstable angina pectoris. A standard OGTT was performed at baseline. Results 2-h plasma glucose (HR, 1.27, 95% CI, 1.00 to 1.62; P  Conclusions In this study population, with previous MI and without known DM, 2-h PG and smoking were significant predictors of CV death, recurrent MI, stroke and unstable angina pectoris, independent of baseline characteristics and medical treatment.

  13. Growth Conditions and Cell Cycle Phase Modulate Phase Transition Temperatures in RBL-2H3 Derived Plasma Membrane Vesicles.

    Directory of Open Access Journals (Sweden)

    Erin M Gray

    Full Text Available Giant plasma membrane vesicle (GPMV isolated from a flask of RBL-2H3 cells appear uniform at physiological temperatures and contain coexisting liquid-ordered and liquid-disordered phases at low temperatures. While a single GPMV transitions between these two states at a well-defined temperature, there is significant vesicle-to-vesicle heterogeneity in a single preparation of cells, and average transition temperatures can vary significantly between preparations. In this study, we explore how GPMV transition temperatures depend on growth conditions, and find that average transition temperatures are negatively correlated with average cell density over 15°C in transition temperature and nearly three orders of magnitude in average surface density. In addition, average transition temperatures are reduced by close to 10°C when GPMVs are isolated from cells starved of serum overnight, and elevated transition temperatures are restored when serum-starved cells are incubated in serum-containing media for 12 h. We also investigated variation in transition temperature of GPMVs isolated from cells synchronized at the G1/S border through a double Thymidine block and find that average transition temperatures are systematically higher in GPMVs produced from G1 or M phase cells than in GPMVs prepared from S or G1 phase cells. Reduced miscibility transition temperatures are also observed in GPMVs prepared from cells treated with TRAIL to induce apoptosis or sphingomyelinase, and in some cases a gel phase is observed at temperatures above the miscibility transition in these vesicles. We conclude that at least some variability in GPMV transition temperature arises from variation in the local density of cells and asynchrony of the cell cycle. It is hypothesized that GPMV transition temperatures are a proxy for the magnitude of lipid-mediated membrane heterogeneity in intact cell plasma membranes at growth temperatures. If so, these results suggest that cells tune

  14. Spectroscopic and modeling investigations of the gas-phase chemistry and composition in microwave plasma activated B2H6/Ar/H2 mixtures.

    Science.gov (United States)

    Ma, Jie; Richley, James C; Davies, David R W; Cheesman, Andrew; Ashfold, Michael N R; Mankelevich, Yuri A

    2010-02-25

    This paper describes a three-pronged study of microwave (MW) activated B(2)H(6)/Ar/H(2) plasmas as a precursor to diagnosis of the B(2)H(6)/CH(4)/Ar/H(2) plasmas used for the chemical vapor deposition of B-doped diamond. Absolute column densities of B atoms and BH radicals have been determined by cavity ring-down spectroscopy as a function of height (z) above a molybdenum substrate and of the plasma process conditions (B(2)H(6) and Ar partial pressures, total pressure, and supplied MW power). Optical emission spectroscopy has been used to explore variations in the relative densities of electronically excited BH, H, and H(2) species as a function of the same process conditions and of time after introducing B(2)H(6) into a pre-existing Ar/H(2) plasma. The experimental measurements are complemented by extensive 2-D(r, z) modeling of the plasma chemistry, which results in refinements to the existing B/H chemistry and thermochemistry and demonstrates the potentially substantial loss of gas-phase BH(x) species through reaction with trace quantities of air/O(2) in the process gas mixture and heterogeneous processes occurring at the reactor wall.

  15. The quenching effect of hydrogen on the nitrogen in metastable state in atmospheric-pressure N{sub 2}-H{sub 2} microwave plasma torch

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shou-Zhe, E-mail: lisz@dlut.edu.cn; Zhang, Xin; Chen, Chuan-Jie; Zhang, Jialiang [Key Laboratory of Materials Modification by Laser, Ion, Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); School of Physics and Optoelectronic Technology, Dalian 116024 (China); Wang, Yong-Xing [College of Electrical Engineering, Dalian 116024 (China); Xia, Guang-Qing [School of Aeronautics and Astronautics, Dalian University of Technology, Dalian 116024 (China)

    2014-07-15

    The atmospheric-pressure microwave N{sub 2}-H{sub 2} plasma torch is generated and diagnosed by optical emission spectroscopy. It is found that a large amount of N atoms and NH radicals are generated in the plasma torch and the emission intensity of N{sub 2}{sup +} first negative band is the strongest over the spectra. The mixture of hydrogen in nitrogen plasma torch causes the morphology of the plasma discharge to change with appearance that the afterglow shrinks greatly and the emission intensity of N{sub 2}{sup +} first negative band decreases with more hydrogen mixed into nitrogen plasma. In atmospheric-pressure microwave-induced plasma torch, the hydrogen imposes a great influence on the characteristics of nitrogen plasma through the quenching effect of the hydrogen on the metastable state of N{sub 2}.

  16. Dependence of composition of stable molecules in N2-H2 plasmas on nitrogen gas flow rate ratio measured using a quartz sensor

    Science.gov (United States)

    Suzuki, Atsushi; Asahina, Shuichi

    2014-11-01

    Compositions of stable molecules in N2-H2 plasmas measured using a quartz sensor (Q-sensor) were compared with those measured using a quadrupole mass spectrometer (QMS) under various nitrogen gas flow rate ratio to determine the applicability of Q-sensor measurement to N2-H2 plasmas. The nitrogen flow rate ratio dependence of the Q-sensor results obtained 20 mm from the edge of the plasma electrodes (Z = 20 mm) tended to agree more qualitatively with the NH3 density measured by QMS compared with those measured at 70 mm. For pure nitrogen or hydrogen plasma, the results measured at Z = 20 mm differed from those of gas analyses using QMS. The analysis indicated that Q-sensor results obtained near discharges with various nitrogen flow rate ratios reflect information on stable molecules such as N2, H2, and NH3 but yield information on other stable molecules or other chemical species in pure N2 and H2 plasmas.

  17. Effect of the gas temperature and pressure on the nucleation time of particles in low pressure Ar-C2H2 rf plasmas

    Science.gov (United States)

    Lin, Jiashu; Henault, Marie; Orazbayev, Sagi; Boufendi, Laïa; Takahashi, Kazuo; Al Farabi Kazakh National University Collaboration; Kyoto Institute Of Technology Team; Gremi Team

    2016-09-01

    Particle formation in low pressure plasmas is a 3-step process. The first one corresponds to the nucleation and growth of nano-crystallites by ion-molecular reactions, the agglomeration phase to form large particles, and the growth by radical deposition on the particle surface. The nucleation phase was demonstrated to be sensitive to gas temperature and pressure. In this work, time of nucleation phase of particles formation in low pressure cold rf C2H2/Ar plasmas studied by varying gas temperature from 265 K to 375 K, gas pressure from 0.4 mbar to 0.8 mbar and rf power from 6 W to 20 W. The ratio of C2H2/Ar is fixed to 2/98 in terms of pressure. Several previous works reported that particle formation takes a few sec at room temperature in C2 H2 plasmas and the time is much shorter than 0.1 s in SiH4 plasmas. Time evolution of self-bias voltage was mainly used to determine nucleation time. The self-bias voltage was modified by phase transition between the steps from nucleation to coagulation. The experimental results showed that the nucleation time increased with gas temperature, decreased with gas pressure and discharge power. At constant gas pressure of 0.4 mbar and discharge power of 6 W, for example, the nucleation time increased from 5 sec to 30 sec with increas

  18. Association of leisure time physical activity and abdominal obesity with fasting serum insulin and 2-h postchallenge plasma glucose levels.

    Science.gov (United States)

    Borodulin, K; Tuomilehto, J; Peltonen, M; Lakka, T A; Sundvall, J; Jousilahti, P

    2006-09-01

    We investigated the joint associations of leisure time physical activity and abdominal obesity with fasting insulin and 2-h glucose levels and with the risk of impaired glucose tolerance (IGT) and Type 2 diabetes (Type 2 DM). A cross-sectional population-based random sample of 1812 Finnish adults 45-74 years of age without a history of cardiovascular disease or diabetes. Relative energy expenditure during the previous 12 months (METh/week), assessed by a questionnaire, was used as a measure of leisure time physical activity. Waist-hip ratio (WHR) was used as a measure of abdominal obesity. IGT and Type 2 DM were assessed by a 2-h oral glucose tolerance test and were defined according to the World Health Organization guidelines. While 2-h glucose and fasting insulin levels increased with increasing WHR (P physical activity (P = 0.015 and P fasting insulin levels were found among individuals who had most abdominal obesity and were least physically active. Physically inactive individuals had a higher prevalence of IGT and Type 2 DM in all WHR tertiles than physically active persons. Higher levels of leisure time physical activity are associated with lower 2-h glucose and fasting insulin levels and a reduced risk of having IGT and Type 2 DM, independent of the level of abdominal obesity.

  19. Improvement in surface hydrophilicity and resistance to deformation of natural leather through O2/H2O low-temperature plasma treatment

    Science.gov (United States)

    You, Xuewei; Gou, Li; Tong, Xingye

    2016-01-01

    The natural leather was modified through O2/H2O low-temperature plasma treatment. Surface morphology was characterized by scanning electron microscopy (SEM) and the results showed that the pores on the leather surface became deeper and larger with enhanced permeability of water and vapor. XPS and FTIR-ATR was performed to determine the chemical composition of natural leather surface. Oxygen-containing groups were successfully grafted onto the surface of natural leather and oxygen content increased with longer treatment time. After O2/H2O plasma treatment, initial water contact angle was about 21° and water contact angles were not beyond 55° after being stored for 3 days. Furthermore, the tensile test indicated that the resistance to deformation had a prominent transform without sacrificing the tensile strength.

  20. Comparative sterilization effectiveness of plasma in O2-H2O2 mixtures and ethylene oxide treatment.

    Science.gov (United States)

    Silva, J M F; Moreira, A J; Oliveira, D C; Bonato, C B; Mansano, R D; Pinto, T J A

    2007-01-01

    We investigated the influence of variable parameters of plasma sterilization and compared its effectiveness with that of ethylene oxide using a reactive ion etching plasma reactor at 13.56 MHz. Gases tested were pure oxygen and oxygen-hydrogen peroxide mixtures in 190/10, 180/20, and 160/40 sccm ratios with constant gas flow at 200 sccm, pressure at 0.100 torr, radio-frequency power at 25 W, 50 W, 100 W, and 150 W, and temperature below 60 degrees C. Ethylene oxide sterilization was performed using 450 mg/L at 55 degrees C, 60% humidity, and -0.65 and 0.60 kgf/cm2 pressure. The biological indicator was Bacillus atrophaeus ATCC 9372, with exposure times of 3 to 120 min. Observed D values were 215.91, 55.55, 9.19, and 2.98 min for pure oxygen plasma at 25 W, 50 W, 100 W, and 150 W, respectively. Oxygen-hydrogen peroxide plasma produced D values of 6.41 min (190/10), 6.47 min (180/20), and 4.02 min (160/40) at 100 W and 1.47 min (190/10), 3.11 min (180/20), and 1.94 min (160/40) at 150 W. Ethylene oxide processes resulted in a D value of 2.86 min. Scanning electron microscopy analyses showed damage to the spore cortex.

  1. Key insights into the reacting kinetics of atmospheric pressure plasmas using He +N2 /O2 /CO2 /H2 O/Air mixtures

    Science.gov (United States)

    Murakami, Tomoyuki

    2015-09-01

    A zero dimensional kinetic chemistry computational modeling to identify the important collisional mechanisms and the dominant species in atmospheric pressure plasmas has been developed. This modeling provides an enhanced capability to tailor wide variety of reactive intermediates/species in atmospheric pressure plasmas using He +N2 /O2 /CO2 /H2 O/Air mixtures. The influence of the gas constituent, the gas temperature and the excitation frequency (kHz-, RF-, Pulsed-working) on the complex reacting chemical kinetics is clarified. This work also focuses on the benchmarking between the predictive outputs of this computer-based simulations and the diverse experimental diagnostics with particular emphasis on reactive oxygen/nitrogen intermediates/species. This work was partly supported by KAKENHI Grant Number 24561054.

  2. Bandgap measurements and the peculiar splitting of E2H phonon modes of InxAl1-xN nanowires grown by plasma assisted molecular beam epitaxy

    KAUST Repository

    Tangi, Malleswararao

    2016-07-26

    The dislocation free Inx Al 1-xN nanowires (NWs) are grown on Si(111) by nitrogen plasma assisted molecular beam epitaxy in the temperature regime of 490 °C–610 °C yielding In composition ranges over 0.50 ≤ x ≤ 0.17. We study the optical properties of these NWs by spectroscopic ellipsometry (SE), photoluminescence, and Raman spectroscopies since they possesses minimal strain with reduced defects comparative to the planar films. The optical bandgap measurements of Inx Al 1-xN NWs are demonstrated by SE where the absorption edges of the NW samples are evaluated irrespective of substrate transparency. A systematic Stoke shift of 0.04–0.27 eV with increasing x was observed when comparing the micro-photoluminescence spectra with the Tauc plot derived from SE. The micro-Raman spectra in the NWs with x = 0.5 showed two-mode behavior for A1(LO) phonons and single mode behavior for E2 H phonons. As for x = 0.17, i.e., high Al content, we observed a peculiar E2 H phonon mode splitting. Further, we observe composition dependent frequency shifts. The 77 to 600 K micro-Raman spectroscopy measurements show that both AlN- and InN-like modes of A1(LO) and E2 H phonons in Inx Al 1-xN NWs are redshifted with increasing temperature, similar to that of the binary III group nitride semiconductors. These studies of the optical properties of the technologically important Inx Al 1-xN nanowires will path the way towards lasers and light-emitting diodes in the wavelength of the ultra-violet and visible range.

  3. Effects of O 2 and N 2/H 2 plasma treatments on the neuronal cell growth on single-walled carbon nanotube paper scaffolds

    Science.gov (United States)

    Yoon, Ok Ja; Lee, Hyun Jung; Jang, Yeong Mi; Kim, Hyun Woo; Lee, Won Bok; Kim, Sung Su; Lee, Nae-Eung

    2011-08-01

    The O 2 and N 2/H 2 plasma treatments of single-walled carbon nanotube (SWCNT) papers as scaffolds for enhanced neuronal cell growth were conducted to functionalize their surfaces with different functional groups and to roughen their surfaces. To evaluate the effects of the surface roughness and functionalization modifications of the SWCNT papers, we investigated the neuronal morphology, mitochondrial membrane potential, and acetylcholine/acetylcholinesterase levels of human neuroblastoma during SH-SY5Y cell growth on the treated SWCNT papers. Our results demonstrated that the plasma-chemical functionalization caused changes in the surface charge states with functional groups with negative and positive charges and then the increased surface roughness enhanced neuronal cell adhesion, mitochondrial membrane potential, and the level of neurotransmitter in vitro. The cell adhesion and mitochondrial membrane potential on the negatively charged SWCNT papers were improved more than on the positively charged SWCNT papers. Also, measurements of the neurotransmitter level showed an enhanced acetylcholine level on the negatively charged SWCNT papers compared to the positively charged SWCNT papers.

  4. Silicides and Nitrides Formation in Ti Films Coated on Si and Exposed to (Ar-N2-H2 Expanding Plasma

    Directory of Open Access Journals (Sweden)

    Isabelle Jauberteau

    2017-02-01

    Full Text Available The physical properties including the mechanical, optical and electrical properties of Ti nitrides and silicides are very attractive for many applications such as protective coatings, barriers of diffusion, interconnects and so on. The simultaneous formation of nitrides and silicides in Ti films improves their electrical properties. Ti films coated on Si wafers are heated at various temperatures and processed in expanding microwave (Ar-N2-H2 plasma for various treatment durations. The Ti-Si interface is the centre of Si diffusion into the Ti lattice and the formation of various Ti silicides, while the Ti surface is the centre of N diffusion into the Ti film and the formation of Ti nitrides. The growth of silicides and nitrides gives rise to two competing processes which are thermodynamically and kinetically controlled. The effect of thickness on the kinetics of the formation of silicides is identified. The metastable C49TiSi2 phase is the main precursor of the stable C54TiSi2 phase, which crystallizes at about 600 °C, while TiN crystallizes at about 800 °C.

  5. Agglomeration processes sustained by dust density waves in Ar/C{sub 2}H{sub 2} plasma: From C{sub 2}H{sub 2} injection to the formation of an organized structure

    Energy Technology Data Exchange (ETDEWEB)

    Dap, Simon; Hugon, Robert; Poucques, Ludovic de; Briancon, Jean-Luc; Bougdira, Jamal [Universite de Lorraine-Institut Jean Lamour, Dpt CP2S UMR 7198 CNRS, Faculte des Sciences et Technologies, BP 70239, 54506 Vandoeuvre-les-Nancy Cedex (France); Lacroix, David [Universite de Lorraine-LEMTA, UMR 7563 CNRS, Faculte des Sciences et Technologies, BP 70239, 54506 Vandoeuvre-les-Nancy Cedex (France)

    2013-03-15

    In this paper, an experimental investigation of dust particle agglomeration in a capacitively coupled RF discharge is reported. Carbonaceous particles are produced in an argon plasma using acetylene. As soon as the particle density becomes sufficient, dust density waves (DDWs) are spontaneously excited within the cathode sheath. Recently, it was proven that DDWs can significantly enhance the agglomeration rate between particles by transferring them a significant kinetic energy. Thus, it helps them to overcome Coulomb repulsion. The influence of this mechanism is studied from acetylene injection to the formation of very large agglomerates forming an organized structure after a few dozens of seconds. For this purpose, three diagnostic tools are used: extinction measurements to probe nanometer-sized particles, fast imaging for large agglomerates and a dust extraction technique developed for ex-situ analysis.

  6. Characteristics of carbon coatings on optical fibers prepared by radio-frequency plasma enhanced chemical vapor deposition with different H{sub 2}/C{sub 2}H{sub 2} ratios

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Hung-Chien; Yu, Jen-Feng [Department of Materials Science and Engineering, National Chung Hsing University 250 Kuo Kuang Road, Taichung 402, Taiwan (China); Shiue, Sham-Tsong, E-mail: stshiue@dragon.nchu.edu.t [Department of Materials Science and Engineering, National Chung Hsing University 250 Kuo Kuang Road, Taichung 402, Taiwan (China); Lin, Hung-Yi [Mechanical and Systems Research Laboratories, Industrial Technology Research Institute, Hsinchu 310, Taiwan (China)

    2010-10-01

    Characteristics of carbon coatings on optical fibers prepared by radio-frequency plasma enhanced chemical vapor deposition with different H{sub 2}/C{sub 2}H{sub 2} ratios are investigated. Five kinds of carbon coatings are prepared with H{sub 2}/C{sub 2}H{sub 2} ratios of 2, 4, 6, 8, and 10. Experimental results show that the deposition rate and surface roughness of carbon coatings decrease as the H{sub 2}/C{sub 2}H{sub 2} ratio increases. When the H{sub 2}/C{sub 2}H{sub 2} ratio changes from 2 to 8, the increase of H{sub 2}/C{sub 2}H{sub 2} ratios detrimentally yields sp{sup 3} carbon atoms and sp{sup 3}-CH{sub 3} bonds in the carbon coatings. However, when the H{sub 2}/C{sub 2}H{sub 2} ratio exceeds 8, the hydrogen retards the growth of the graphite structure. Moreover, the redundant hydrogen radicals favor bonding with the dangling bonds in the coating surface. Therefore, when the H{sub 2}/C{sub 2}H{sub 2} ratio increases from 8 to 10, the amounts of sp{sup 3} carbon atoms and sp{sup 3}-CH{sub 3} bonds in the carbon coatings increase. At an H{sub 2}/C{sub 2}H{sub 2} ratio of 8, the carbon coating exhibits excellent water-repellency and thermal-loading resistance, and so this ratio is the best for producing a hermetically sealed optical fiber coating.

  7. 用N2-H2等离子体氮化GaAs衬底对ECR-PEMOCVD生长立方GaN的影响%Effects of GaAs Substrate Nitridation with N2-H2 Plasma on c-GaN Epitaxy Growth by ECR-PEMOCVD

    Institute of Scientific and Technical Information of China (English)

    王三胜; 顾彪; 徐茵; 秦福文; 隋郁; 杨大智

    2001-01-01

    我们研究了采用电子回旋共振等离子体增强金属有机化学气相沉积(ECR-PEMOCVE)技术在GaAs(001)衬底上外延生长立方GaN的过程中衬底氮化条件对外延膜生长的影响.发现氮化时在氮等离子体中加入氢等离子体对于立方GaN薄膜生长具有显著影响.和氮化过程中不加入氢等离子体相比,氮化过程中加入氢等离子体生长出的外延膜其X射线衍射(XRD)半高宽(FWHM)可以最高降低40%以上.原子力显微镜(AFM)观察表明:在N2-H2混合等离子中氮化过的衬底上外延的缓冲层表面变得更为平滑,晶粒也变得粗大.最后,我们提出了一个化学模型对上述结果进行了分析和解释..%The effects of nitridation conditions to GaAs (001) substrates in N2-H2 plasmas on c-GaN film grown by electron-cyclotron-resonance plasma enhanced metalorganic chemical vapor deposition (ECRPE-MOCVD) was investigated. It was found that there have remarkable effects on the growth of c-GaN film when hydrogen plasma was added during nitridation. XRD ( θ - 2θ)analysis showed that the FWHM of epitaxy film growing with hydrogen plasma during nitridation was improved exceeds 40 % compared with that of epitaxy film growing without hydrogen plasma during nitridation. Atomic force microscopy (AFM) observation showed that the surface of buffer layers becomes smoother and the crystallites become larger when nitridated in N2-H2 plasmas. We think that the uniform nucleation of GaAs (001) substrate surface is a crucial factor for getting better crystalline quality of c-GaN. Finally, a chemical model is put forward to interpret the influence of hydrogen plasma during the nitridation process.

  8. hBN含量对等离子喷涂NiCr/Cr3C2-hBN复合涂层力学性能的影响%Effect of hBN content on mechanical properties of plasma-sprayed NiCr/Cr3 C2-hBN composite coating

    Institute of Scientific and Technical Information of China (English)

    曹玉霞; 杜令忠; 张伟刚; 兰叶; 黄传兵

    2015-01-01

    Taking hBN and Cr3 C2 as core, NiCr/Cr3 C2-hBN composite powder were prepared with the technologies of spray granulation, chemical and metallurgical coating and solid state alloying. The NiCr/Cr3 C2-hBN composite coating was prepared by plasma-spray technology. Microstructure, phase composition, microhardness and tensile strength of the coating were investigated. The results show that the NiCr/Cr3 C2-hBN composite coating consisted of typical lamellae and exhibited excellent binding strength. Both the microhardness and binding strength of the coating decrease with the increase of hBN content. When the hBN content is 20%, microhardness and tensile strength of the coating are 66% and 50% of these of the NiCr/Cr3 C2 coating, respectively. The peeling occurs inside coating and is typical brittle fracture.%采用化工冶金包覆、喷雾造粒和固相合金化技术以Cr3 C2和hBN为核心制备了NiCr/Cr3 C2-hBN复合粉体,并用等离子喷涂技术制备了NiCr/Cr3 C2-hBN涂层,研究了涂层的显微结构、物相组成、显微硬度和结合强度。研究结果表明,等离子喷涂NiCr/Cr3 C2-hBN复合涂层呈典型的层状结构,各层之间结合良好。涂层的显微硬度和结合强度均随hBN含量的增加逐渐降低,当hBN含量为20%时,涂层的显微硬度和结合强度分别为NiCr/Cr3 C2涂层的66%和50%。涂层断裂位置发生在涂层内部,为典型的脆性断裂。

  9. Sex differences in glucose levels

    DEFF Research Database (Denmark)

    Faerch, K; Borch-Johnsen, Knut; Vaag, A

    2010-01-01

    We aimed to examine whether sex differences in fasting plasma glucose (FPG), 2 h post-OGTT plasma glucose (2hPG) and HbA(1c) could be explained by differences in body size and/or body composition between men and women in a general non-diabetic Danish population. Moreover, we aimed to study to what...

  10. Simulations of electrical asymmetry effect on N2-H2 capacitively coupled plasma by particle-in-cell/Monte Carlo mo del%N2-H2容性耦合等离子体电非对称效应的particle-in-cell/Monte Carlo模拟

    Institute of Scientific and Technical Information of China (English)

    郝莹莹; 孟秀兰; 姚福宝; 赵国明; 王敬; 张连珠

    2014-01-01

    H2-N2混合气体电容性耦合射频放电在有机低介电系数材料刻蚀中具潜在研究意义.采用particle-in-cell/Monte Carlo模型模拟了双频(13.56 MHz/27.12 MHz)电压源分别接在结构对称的两个电极上的H2-N2容性耦合等离子体特征,研究了其电非对称效应.模拟结果表明,通过调节两谐波间的相位角θ,可以改变其电场、等离子体密度、离子流密度的轴向分布及离子轰击电极的能量分布.当相位角θ为0◦时,低频电极(晶片)附近主要离子(H+3)的密度最小,离子(H+3, H+2, H+)轰击低频电极的流密度及平均能量最高;当θ从0◦变化90◦时,低频电极的自偏压从-103 V到106 V近似线性增加,轰击电极的离子流密度变化约±18%, H+离子轰击低频电极的最大能量约减小2.5倍,轰击电极的平均能量约变化2倍,表明氢离子能量和离子流几乎能独立控制.%A N2-H2 capacitively coupled rf discharge has potential applications in etching of organic low dielectric constant (low-k) material for microelectronics technology. In this paper, we investigate the characteristic and electrical asymmetry effect (EAE) on the N2-H2 capacitively coupled plasma used for low-k material etching by particle-in-cell/Monte Carlo (PIC/MC) model, in which the two frequency sources of 13.56 MHz and 27.12 MHz are applied separately to the two electrodes in geometrically in symmetry. It is found that the plasma density profiles, the ion flux density profiles and the energy distribution of ion bombarding electrodes can be changed by adjusting the phase angle θ between the two harmonics. When the phase angle θ is 0◦, the density of primary ion (H+3 ) near low frequencie electrode (LFE) (wafer) is smallest, whereas flux and average energy of ion (H+, H+3 , H+2 ) bombarding LFE are biggest; if the phase angle θ is tuned from 0◦ to 90◦, the dc self-bias increases almost linearly from -103 V to 106 V, ion flux bombarding the LFE decreases by

  11. Plasma-enhanced CVD of functional coatings in Ar/maleic anhydride/C2H2 homogeneous dielectric barrier discharges at atmospheric pressure

    Science.gov (United States)

    Zajíčková, Lenka; Jelínek, Petr; Obrusník, Adam; Vodák, Jiří; Nečas, David

    2017-03-01

    In this contribution, we focus on the general problems of plasma-enhanced chemical vapor deposition in atmospheric pressure dielectric barrier discharges, i.e. deposition uniformity, film roughness and the formation of dust particles, and demonstrate them on the example of carboxyl coatings prepared by co-polymerization of acetylene and maleic anhydride. Since the transport of monomers at atmospheric pressure is advection-driven, special attention is paid to the gas dynamics simulations, gas flow patterns, velocity and residence time. By using numerical simulations, we design an optimized gas supply geometry capable of synthesizing uniform layers. The selection of the gas mixture containing acetylene was motivated by two of its characteristics: (i) suppression of filaments in dielectric barrier discharges, and (ii) improved film cross-linking, keeping the amount of functional groups high. However, acetylene discharges are prone to the formation of nanoparticles that can be incorporated into the deposited films, leading to their high roughness. Therefore, we also discuss the role of the gas composition, the spatial position of the substrate with respect to gas flow and the deposition time on the topography of the deposited films.

  12. Quantitation of methadone enantiomers in humans using stable isotope-labeled (2H3)-, (2H5)-, and (2H8)Methadone

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, K.; Hachey, D.L.; Kreek, M.J.; Irving, C.S.; Klein, P.D.

    1982-01-01

    A new technique for simultaneous stereoselective kinetic studies of methadone enantiomers was developed using three deuterium-labeled forms of methadone and GLC-chemical-ionization mass spectrometry. A racemic mixture (1:1) of (R)-(-)-(2H5)methadone (l-form) and (S)-(R)-(2H3)methadone (d-form) was administered orally in place of a single daily dose of unlabeled (+/-)-(2H0)methadone in long-term maintenance patients. Racemic (+/-)-(2H8)methadone was used as an internal standard for the simultaneous quantitation of (2H0)-, (2H3)-, and (2H5)methadone in plasma and urine. A newly developed extraction procedure, using a short, disposable C18 reversed-phase cartridge and improved chemical-ionization procedures employing ammonia gas, resulted in significant reduction of the background impurities contributing to the ions used for isotopic abundance measurements. These improvements enabled the measurement of labeled plasma methadone levels for 120 hr following a single dose. This methodology was applied to the study of methadone kinetics in two patients; in both patients, the analgesically active l-enantiomer of the drug had a longer plasma elimination half-life and a smaller area under the plasma disappearance curve than did the inactive d-form.

  13. 基于体表参数的2h口服葡萄糖耐量试验各时间点血糖分析%Plasma Glucose Values at Different Time Points During 2 hOGTT

    Institute of Scientific and Technical Information of China (English)

    任秋霞; 胡志锋

    2014-01-01

    Objective Toanalyzetheolasmaglucosevaluesatvaryingtimeoointsof2horalglucosetolerancetest ( OGTT)and its relationshio to age,body mass index( BMI),waist circumference( WC),waist-hio ratio( WHoR),waist-heightratio(WHtR).Methods InMarch2013,inHuaianDistrict,bysimolerandomsamolingmethod,asurveywas carried out in 229 subjects(50 males,179 females,age >45 years old). According to BMI,the subjects were divided into grouos normal BMI( NBMI grouo,BMIreference value( WC of males≤85 cm,WC of females≤80 cm),waist≤reference value,and the glucose values at va-rying time ooints of 2 hOGTT were comoared between 2 grouos. According to WHoR,the subjects were divided into grouos WHR> reference value(WHoR of males≤0. 9,WHoR of females≤0. 85),WHoR≤reference value,the glucose values at varying time ooints of 2 hOGTT were comoared between 2 grouos. According to WHtR,the subjects were divided into grouosWHtR ≤reference value(reference value =0. 5),waist -height ratio >reference value,the glucose values at varying time ooints of 2 hOGTT were comoared between 2 grouos. Linear regression correlation was used to analyze the relationshio of age, BMI,WC,WHoR,WHtRtoglucosevaluesatvaryingtimeoointof2hOGTT.Results Takingglucosevaluesattimeooints of 2 hOGTT as deoendent variable and age as indeoendent variable,linear regression analysis showed that glucose values at hours 0. 5,1. 0,2. 0 after OGTT were correlated linearly with age(Preference value grouo than in WC≤reference value at hours 1. 0,2. 0 after OGTT(P0. 05). Taking glu-cose value at time ooints of 2 hOGTT as deoendent variable and WC as indeoendent variable,linear regression analysis showed that glucose values were correlated linearly with WC at hours 0. 5,1. 0 after OGTT(Preference value and WHoR≤reference value(P>0. 05),and glucose values were higher in female WHoR>reference grouo than in WHoR ≤reference value grouo(Preference value grouo than in WHtR ≤reference value grouo at hours 0. 5,1. 0 after OGTT(P45

  14. Nitriding of titanium and its alloys by N2, NH3 or mixtures of N2 + H2 in a dc arc plasma at low pressures ( or = to torr)

    Science.gov (United States)

    Avni, R.

    1984-01-01

    The dc glow discharges in different gas mixtures of Ar + N2, Ar + NH3 or Ar + N2 + H2 result in the surface nitriding of Ti metal and its alloy (Ti6Al4V). Various gas mixtures were used in order to establish the main active species governing the nitriding process, i.e., N, N2, NH, or NH2 as excited or ionized particles. The dc discharge was sampled and analyzed by quadruple mass spectrometry (QPMS) and optical emission spectroscopy (OES), and the nitrided samples were analyzed by scanning electron microscopy (SEM) with an EDAX attachment, microhardness, and Fourier transform infrared reflectance spectrometry (FTIR). It was found that the excited and ionized nitrogen and hydrogen atoms are the main species responsible for the nitriding process in a dc glow discharge.

  15. Mecanismos cinéticos y distribuciones energéticas de iones (H3+, N2H+, CH3+...) en plasmas fríos de H2/N2/CH4

    Science.gov (United States)

    Tanarro, I.; Herrero, V. J.; Islyaikin, A.; Tabarés, F. L.; Tafalla, D.

    En este trabajo se presenta el estudio espectrométrico de los plasmas levemente ionizados generados en una descarga continua a baja presión de H2 con trazas de N2 y CH4, orientado principalmente a identificar la naturaleza y distribución energética de los iones que en ella se producen, y a asignar algunos de los mecanismos cinéticos elementales de formación y destrucción de tales especies. Alguno de los iones mayoritarios de estos plasmas, como el H3+, presenta gran interés desde el punto de vista de la Astrofísica por su prevista intervención en la química de las ionosferas planetarias y del medio interestelar, al actuar como sustancia intermedia en la formación de gran variedad de especies moleculares; si bien, dada su pequeña concentración, su observación real en el espacio se demoró hasta la pasada década de los años 90, cuando fue detectado por primera vez en la atmósfera de Júpiter y en otros objetos estelares. Del mismo modo que los trabajos espectroscópicos de laboratorio resultan indispensables para la posterior identificación de las especies observadas en el espacio, es de esperar que la asignación de los procesos cinéticos más importantes que tienen lugar en los plasmas generados en reactores de descarga, como los aquí presentados, permitan extrapolar los resultados así obtenidos al esclarecimiento de los mecanismos fisico-químicos participantes en otros medios observables únicamente a larga distancia.

  16. Reduction of CO2 to CO Using CO2-H2 Non-equilibrium Plasma Method%利用非平衡等离子体方法将CO2还原成CO的研究

    Institute of Scientific and Technical Information of China (English)

    周军成; 尹燕华; 郑邯勇; 徐月; 周旭; 龚俊松

    2012-01-01

    CO2和H2合成CO是CO2化学利用的重要过程,然而,传统的催化转化难以实现高效转化。在室温和大气压下,通过非平衡等离子体对H2和CO2的活化作用,考察了等离子体反应器结构、极间距、放电功率和氢碳比等对CO2转化率、CO选择性和CO2转化的能量效率影响。实验结果表明,在室温和大气压下,用等离子体法可将CO2高效的还原为CO,适当调节上述各参数可提高CO2的转化率。采用管管式等离子体反应器,在放电频率为10kHz、H2与CO2体积进料比为2:1、放电功率为80W、CO2气体体积流量为120mL/min的条件下,CO2转化率为88.2%,CO选择性为100%。%Conversion of CO2 to CO by H2 has been recognized as one of the important processes for CO2 utilization, but it is difficult to obtain high CO yield by catalytic method. We discussed the role of plasma activation in the direct gas phase reduction of CO2 to CO. The plasma was obtained by dielectric barrier discharge to the mixture of H2 and CO2 at room temperature and atmospheric pressure. Moreover, we investigated the effects of main parameters on CO2 conversion, CO selectivity and energy efficiency of CO2 conversion , such as discharge power,the structure of plasma reactors, the ratio of H2 to CO2 as well as space between electrodes. It is observed that, at room temperature and atmospheric pressure, H2 and CO2 can be directly converted into CO only by plasma activation. The proper adjustment of above parameters can increase CO2 conversion. When the CO2 flow rate of the feed gas, the ratio of H2 to CO2, the discharge power, and the discharge frequency are fixed at 120 mL/min, 80 W and 10 kHz, respectively, the CO2 conversion efficiency and CO selectivity are 88.2% and 100%, respectively.

  17. Genetic interactions between the Golgi Ca2+/H+ exchanger Gdt1 and the plasma membrane calcium channel Cch1/Mid1 in the regulation of calcium homeostasis, stress response and virulence in Candida albicans.

    Science.gov (United States)

    Wang, Yanan; Wang, Junjun; Cheng, Jianqing; Xu, Dayong; Jiang, Linghuo

    2015-11-01

    The Golgi-localized Saccharomyces cerevisiae ScGdt1 is a member of the cation/Ca(2+) exchanger superfamily. We show here that Candida albicans CaGdt1 is the functional homolog of ScGdt1 in calcium sensitivity, and shows genetic interactions with CaCch1 or CaMid1 in response to ER stresses. In addition, similar to ScCCH1 and ScMID1, deletion of either CaCCH1 or CaMID1 leads to a growth sensitivity of cells to cold stress, which can be suppressed by deletion of CaGDT1. Furthermore, deletion of CaCCH1 leads to a severe delay in filamentation of C. albicans cells, and this defect is abolished by deletion of CaGDT1. In contrast, CaGDT1 does not show genetic interaction with CaMID1 in filamentation. Interestingly, C. albicans cells lacking both CaMID1 and CaGDT1 exhibit an intermediate virulence between C. albicans cells lacking CaCCH1 (non-virulent) and C. albicans cells lacking CaGDT1 (partially virulent), while C. albicans cells lacking both CaCCH1 and CaGDT1 are not virulent in a mouse model of systemic candidiasis. Therefore, CaGdt1 genetically interacts with the plasma membrane calcium channel, CaCch1/CaMid1, in the response of C. albicans cells to cold and ER stresses and antifungal drug challenge as well as in filamentation and virulence.

  18. Intense laser induced field ionization of C2H2, C2H4,and C2H6

    Institute of Scientific and Technical Information of China (English)

    GAO Lirong; JI Na; XONG Yijia; TANG Xiaoping; KONG Fan'ao

    2003-01-01

    Using HOMO Field Ionization Model, the tunneling probabilities and the theoretical threshold intensities of the field ionizations of acetylene, ethylene, and ethane in intense laser field are calculated. C2H2, C2H4, and C2H6 were irradiated by 800 nm, 100 fs laser pulses with the intensity range of 1013-1014 W/cm2. A TOF-mass spectrometer was coupled to the laser system and used to experimentally investigate the field ionization of these molecules. The experimental ionization threshold intensities are obtained. The calculating results of the three molecules agree well with the experimental results, indicating that HOMO Field Ionization Model is valid for the ionization of polyatomic molecules in intense laser field.

  19. THz spectroscopy of D2H+

    Science.gov (United States)

    Yu, S.; Pearson, J. C.; Amano, T.; Matsushima, F.

    2017-01-01

    We extended the measurements of the rotational transitions of D2H+ up to 3 THz by using the JPL frequency multiplier chains and a TuFIR system at Toyama. D2H+ was generated in an extended negative glow discharge cell cooled to liquid nitrogen temperature. We observed five new THz lines. All the available rotational transition frequencies together with the combination differences derived from the three fundamental bands were subject to least square analysis to determine the molecular constants. New THz measurements are definitely useful for better characterization of spectroscopic properties. The improved molecular constants provide better predictions of other unobserved rotational transitions.

  20. CCQE, 2p2h excitations and \

    CERN Document Server

    Nieves, J; Sánchez, F; Vacas, M J Vicente

    2013-01-01

    We analyze the MiniBooNE muon neutrino CCQE-like d\\sigma/dT_\\mu/dcos\\theta_\\mu data using a theoretical model that, among other nuclear effects, includes RPA correlations and 2p2h (multinucleon) mechanisms. These corrections turn out to be essential for the description of the data. We find that MiniBooNE CCQE-like data are fully compatible with former determinations of the nucleon axial mass M_A ~ 1.05 GeV. This is in sharp contrast with several previous analysis where anomalously large values of M_A ~ 1.4 GeV have been suggested. We also show that because of the the multinucleon mechanism effects, the algorithm used to reconstruct the neutrino energy is not adequate when dealing with quasielastic-like events. Finally, we analyze the MiniBooNE unfolded cross section, and show that it exhibits an excess (deficit) of low (high) energy neutrinos, which is an artifact of the unfolding process that ignores 2p2h mechanisms.

  1. Zilascorb(2H), a new reversible protein synthesis inhibitor: clinical study of an oral preparation.

    Science.gov (United States)

    Semb, K A; Fodstad, O; Klem, B; Bibow, K; Osmundsen, K; Aamdal, S

    1997-03-01

    The new anti-cancer drug zilascorb(2H) has shown promising activity in preclinical models. Its putative mechanism of action is reversible protein synthesis inhibition and long-term treatment is required. As a clinical treatment modality, long-term daily zilascorb(2H) infusions, as used in previous studies, are not regarded feasible. Therefore, an oral formulation of the drug was developed, and pharmacokinetic profile, toxicity and antitumor activity of zilascorb(2H) tablets were studied. Thirteen patients with advanced solid cancer not amenable to established therapy, but with adequate performance status and organ functions, were included. The treatment was given as a daily i.v. zilascorb(2H) infusion for 5 days, followed by zilascorb(2H) tablets twice daily for 3 months. Blood and urine sampling was performed when estimated plasma steady-state level was reached for each formulation, respectively. Analyses of drug concentrations in plasma and urine were performed by high performance liquid chromatography. Zilascorb(2H) in tablet formulation had a bioavailability of 32%, was quickly absorbed and slowly eliminated. Concomitant use of the H2-blocker ranitidine possibly enhanced bioavailability. Zilascorb(2H) was well tolerated. Two patients experienced drug-related fever, disturbing the treatment schedule for one of them. Moderate nausea was reported. One objective response was obtained. The bioavailability of zilascorb(2H) tablets was satisfactory. The principle of oral administration of zilascorb(2H) is feasible for long-term treatment and the side effects are acceptable. The mechanisms of action and the very low toxicity of the drug makes it a candidate for combination with other anticancer agents.

  2. An exact calculation of the N2+ and H2+ influx at cathode surface in N2-H2 discharges

    Science.gov (United States)

    Suraj, K. S.; Alex, Prince

    An exact calculation of N2+ and H2+ influx, at cathode surface in N2-H2 discharge, has been derived using electron impact ionization cross-section at plasma sheath boundary. The analytical formula is very convenient in practical applications. Through the analysis of experimental parameters for glow discharge plasma nitriding, the formula explains, why treatment in an N2-H2 mixture with H2 percentage ∼70% gives most enhanced result.

  3. Synthesis of 2-Alkenyl-2H-indazoles from 2-(2-Carbonylmethyl)-2H-indazoles.

    Science.gov (United States)

    Lin, Mei-Huey; Liang, Kung-Yu; Tsai, Chang-Hsien; Chen, Yu-Chun; Hsiao, Hung-Chang; Li, Yi-Syuan; Chen, Chung-Hao; Wu, Hau-Chun

    2016-02-19

    A procedure has been developed for synthesis of 2-alkenyl-2H-indazoles starting from 2-(2-carbonylmethyl)-2H-indazoles, which are prepared by gallium/aluminium- and aluminium-mediated, direct, regioselective alkylation of indazoles with α-bromocarbonyl compounds. The structure of 3-(2H-indazol-2-yl)-2H-chromen-2-one was proven by X-ray crystallography. The styrene- and coumarin-2H-indazoles produced by using the new method were found to have interesting fluorescence properties.

  4. High pressure oxidation of C2H4/NO mixtures

    DEFF Research Database (Denmark)

    Giménez-López, J.; Alzueta, M.U.; Rasmussen, C.T.

    2011-01-01

    An experimental and kinetic modeling study of the interaction between C2H4 and NO has been performed under flow reactor conditions in the intermediate temperature range (600–900K), high pressure (60bar), and for stoichiometries ranging from reducing to oxidizing conditions. The main reaction...... pathways of the C2H4/O2/NOx conversion, the capacity of C2H4 to remove NO, and the influence of the presence of NOx on the C2H4 oxidation are analyzed. Compared to the C2H4/O2 system, the presence of NOx shifts the onset of reaction 75–150K to lower temperatures. The mechanism of sensitization involves...

  5. Fasting, post-OGTT challenge, and nocturnal free fatty acids in prediabetic versus normal glucose tolerant overweight and obese Latino adolescents.

    Science.gov (United States)

    Toledo-Corral, Claudia M; Alderete, Tanya L; Richey, Joyce; Sequeira, Paola; Goran, Michael I; Weigensberg, Marc J

    2015-04-01

    Type 2 diabetes risk and its relationship to free fatty acid (FFA) exposure and visceral fat by prediabetes status in minority adolescents have yet to be explored. Therefore, the objective of this study was to examine the association of circulating FFA under varying conditions with prediabetes in Latino adolescents and to determine the relative relationships of FFA and visceral adiposity to insulin sensitivity, secretion, and β-cell function. Overweight or obese, but otherwise healthy Latino adolescent males and females (n = 164, 14.2 ± 2.5 years), were recruited for assessment of prediabetes, abdominal fat, and FFA levels taken at a fasting state (FFAF), during an OGTT (FFAOGTT), and overnight (FFANOCTURNAL). Prediabetic adolescents had a higher FFAF than those with normal glucose tolerance when controlling for age, sex, pubertal status, total percent body fat, and visceral fat. FFAOGTT and FFANOCTURNAL did not differ between participants with prediabetes and those with normal glucose tolerance after adjusting for covariates. Visceral fat was independently related to insulin sensitivity and secretion in pubertal adolescents; however, in post-pubertal adolescents, FFAF and visceral fat were both independent and negatively related to β-cell function. These results support a plausible progression of the lipotoxicity theory of diabetes development during the pubertal transition.

  6. Fasting, post-OGTT challenge, and nocturnal free fatty acids in prediabetic vs. normal glucose tolerant overweight and obese Latino adolescents

    Science.gov (United States)

    Toledo-Corral, Claudia M.; Alderete, Tanya L.; Richey, Joyce; Sequeira, Paola; Goran, Michael I.; Weigensberg, Marc J.

    2014-01-01

    Background and Objective Type 2 diabetes risk and its relationship to free fatty acid (FFA) exposure and visceral fat by prediabetes status in minority adolescents has yet to be explored. Therefore, the objective of this study was to examine the association of circulating FFA under varying conditions with prediabetes in Latino adolescents and to determine the relative relationships of FFA and visceral adiposity to insulin sensitivity, secretion, and β-cell function. Subjects and Outcome Measures Overweight or obese, but otherwise healthy Latino adolescent males and females (n=164, 14.2±2.5 years) were recruited for assessment of prediabetes, abdominal fat, and FFA levels taken at a fasting state (FFAF), during an OGTT (FFAOGTT), and overnight (FFANOCTURNAL). Results Prediabetic adolescents had a higher FFAF than those with normal glucose tolerance when controlling for age, sex, pubertal status, total percent body fat, and visceral fat. FFAOGTT and FFANOCTURNAL did not differ between participants with prediabetes and those with normal glucose tolerance after adjusting for covariates. Visceral fat was independently related to insulin sensitivity and secretion in pubertal adolescents, however in post-pubertal adolescents, FFAF and visceral fat were both independent and negatively related to β-cell function. Conclusion These results support a plausible progression of the lipotoxicity theory of diabetes development during the pubertal transition. PMID:25109287

  7. The E23K variant of Kir6.2 associates with impaired post-OGTT serum insulin response and increased risk of type 2 diabetes

    DEFF Research Database (Denmark)

    Nielsen, Eva-Maria D; Hansen, Lars; Carstensen, Bendix

    2003-01-01

    803 type 2 diabetic patients and 862 glucose-tolerant control subjects. The E23K variant was associated with significant reductions in the insulinogenic index (P = 0.022) and serum insulin levels under the response curve during an OGTT (0-120 min) (P = 0.014) as well as with an increase in BMI (P = 0......The E23K polymorphism of the pancreatic beta-cell ATP-sensitive K(+) (K(ATP)) channel subunit Kir6.2 (KCNJ11) is associated with type 2 diabetes in whites, and a recent in vitro study of the E23K variant suggests that the association to diabetes might be explained by a slight inhibition of serum.......013). In the present study, the association of the E23K polymorphism with type 2 diabetes was not significant (P = 0.26). However, the K23K genotype significantly associated with type 2 diabetes in a meta-analysis of white case and control subjects (n = 2,824, odds ratio [OR] 1.49, P = 0.00022). In conclusion...

  8. Temperature and pressure dependent rate coefficients for the reaction of C2H4 + HO2 on the C2H4O2H potential energy surface.

    Science.gov (United States)

    Guo, JunJiang; Xu, JiaQi; Li, ZeRong; Tan, NingXin; Li, XiangYuan

    2015-04-02

    The potential energy surface (PES) for reaction C2H4 + HO2 was examined by using the quantum chemical methods. All rates were determined computationally using the CBS-QB3 composite method combined with conventional transition state theory(TST), variational transition-state theory (VTST) and Rice-Ramsberger-Kassel-Marcus/master-equation (RRKM/ME) theory. The geometries optimization and the vibrational frequency analysis of reactants, transition states, and products were performed at the B3LYP/CBSB7 level. The composite CBS-QB3 method was applied for energy calculations. The major product channel of reaction C2H4 + HO2 is the formation C2H4O2H via an OH(···)π complex with 3.7 kcal/mol binding energy which exhibits negative-temperature dependence. We further investigated the reactions related to this complex, which were ignored in previous studies. Thermochemical properties of the species involved in the reactions were determined using the CBS-QB3 method, and enthalpies of formation of species were compared with literature values. The calculated rate constants are in good agreement with those available from literature and given in modified Arrhenius equation form, which are serviceable in combustion modeling of hydrocarbons. Finally, in order to illustrate the effect for low-temperature ignition of our new rate constants, we have implemented them into the existing mechanisms, which can predict ethylene ignition in a shock tube with better performance.

  9. Theoretical Studies on N2H+O Reaction

    Institute of Scientific and Technical Information of China (English)

    L(U) Ying-wen; L(U) Wen-cai; SU Zhong-min

    2008-01-01

    The N2H+O potential energy profile was studied at the CCSD(T)/6-311G++(dfp)//MP2/6-311G(d,p) level.Reactions associated with four intermediates(cis-HNNO, trans-HNNO, NNHO, and NNOH) were investigated. The results indicate that N2H+O reaction toward H+N2O is more favored than that toward N2+OH, consistent with previous experimental studies. The pathways for the two reactions are found to go through cis-HNNO, transition state, and finally to the products. The N2H+O→NH+NO reaction was studied in detail. Product NO in such a reaction is likely to occur via cis-HNNO, followed by trans-HNNO, and finally dissociates into NH+NO. These results suggest that N2H+O→NH+NO is an important channel in NO production.

  10. 1H- and 2H-T1 relaxation behavior of the rhodium dihydrogen complex [(triphos)Rh(eta 2-H2)H2]+.

    Science.gov (United States)

    Bakhmutov, V I; Bianchini, C; Peruzzini, M; Vizza, F; Vorontsov, E V

    2000-04-17

    Protonation of the classical trihydride [(triphos)RhH3] (2) at 210 K in either THF or CH2Cl2 by either HBF4.OMe2 or CF3SO2OH gives the nonclassical eta 2-H2 complex [(triphos)Rh(eta 2-H2)H2]+ (1) [triphos = MeC(CH2PPh2)3]. Complex 1 is thermally unstable and highly fluxional in solution. In THF above 230 K, 1 transforms into the solvento dihydride complex [(triphos)Rh(eta 1-THF-d8)H2]+ (5) that, at room temperature, quickly converts to the stable dimer trans-[[(triphos)RhH]2(mu-H)2]2+ (trans-6). In CH2Cl2, 1 is stable up to 240 K. Above this temperature, the eta 2-H2 complex begins to convert into a mixture of trans- and cis-6, which, in turn, transform into the bridging-chloride dimers trans- and cis-[[(triphos)RhH]2(mu-Cl)2]2+ at room temperature. Complex 1 contains a fast-spinning H2 ligand with a T1min of 38.9 ms in CD2Cl2 (220 K, 400 MHz). An NMR analysis of the bis-deuterated isotopomer [(triphos)RhH2D2]+ (1-d2) did not provide a J(HD) value. At 190 K, the perdeuterated isotopomers [(triphos)RhD3] (2-d3) and 1-d4 show T1min values of 16.5 and 32.6 ms (76.753 MHz), respectively, for the rapidly exchanging deuterides. An analogous 2-fold elongation of T1min is also observed on going from [(triphos)IrD3] to [(triphos)Ir(eta 2-D2)D2]+. A rationale for the elongation of T1min in nonclassical polyhydrides is proposed on the basis of both the results obtained and recent literature reports.

  11. The distribution and abundance of interstellar C2H

    Science.gov (United States)

    Huggins, P. J.; Carlson, W. J.; Kinney, A. L.

    1984-01-01

    C2H(N = 1-0) emission has been extensively observed in a variety of molecular clouds, including: 12 hot, dense, cloud cores, 3 bright-rimmed clouds (in NGC 1977, IC 1396, and IC 1848), and across the extended OMC - 1 cloud. It has also been observed in the circumstellar envelopes IRC + 10216 and AFGL 2688. Abundance analyses of the molecular clouds yield C2H/(C-13)O abundance ratios of about 0.01, with little variation (less than about a factor of 4) either between clouds or across individual clouds. In the Orion plateau source, the C2H abundance is enhanced by less than a factor of 4, relative to the extended cloud. The generally high levels of C2H found in the molecular clouds are not readily accounted for by simple, steady-state chemical models, and suggest, as do earlier observations of atomic carbon, that the carbon chemistry in dense clouds is more active than is commonly assumed.

  12. Synthesis of 2H-Chromenones from Salicylaldehydes and Arylacetonitriles

    Directory of Open Access Journals (Sweden)

    Chengcai Li

    2017-07-01

    Full Text Available An efficient and convenient protocol for the synthesis of 2H-chromenones has been developed. In the presence of tBuOK in DMF, good to excellent yields of various chromenones were obtained from the corresponding salicylaldehydes and arylacetonitriles. No protection of inert gas atmosphere is required here.

  13. Translational energy distribution from C sub 2 H sub 2 + hv(193. 3 nm) yields C sub 2 H + H

    Energy Technology Data Exchange (ETDEWEB)

    Segall, J.; Wen, Y.; Lavi, R.; Singer, R.; Wittig, C. (Univ. of Southern California, Los Angeles (United States))

    1991-10-17

    The authors report the center-of-mass translational energy distribution for 193.3-nm photolysis of expansion-cooled C{sub 2}H{sub 2}, using high-n Rydberg-level excitation of nascent H atoms to facilitate high-resolution time-of-flight measurements. The observed resolution of {approximately}200 cm{sup {minus}1} is presently limited by the ArF photolysis laser, whose band width is approximately 200 cm{sup {minus}1}. The reported distribution clearly resolves a C{sub 2}H bending progression (v{sub 2}{approximately}400 cm{sup {minus}1}), which reflects the trans-bent C{sub 2}H{sub 2} excited state. A definitive assignment of all features is still not possible on the basis of currently available information of C{sub 2}H. These measurements yield an upper bound to D{sub 0} of 131.8 {plus minus} 0.5 kcal mol{sup {minus}1}.

  14. CN and C2H in IRC +10216

    Science.gov (United States)

    Huggins, P. J.; Glassgold, A. E.; Morris, M.

    1984-01-01

    The effects of the production of the radicals CN and C2H from the dissociation of HCN and C2H2 by ambient UV photons in the outer envelope of IRC +10216 are investigated. The spatial distribution of the radicals and their observable millimeter emission-line characteristics are calculated from the inferred abundances of the progenitor species in the envelope of IRC +10216 using photochemical and radiative transfer models. These are compared with available observations to examine whether photoproduction is a possible explanation of the observed emission from these species. The results suggest that the variable abundances induced by photodestruction of their progenitors do affect the observed emission from the radicals.

  15. Reatividade de 2H-azirinas-funcionalizadas com hidrazinas

    OpenAIRE

    Cecilia Maria Alves de Oliveira

    1987-01-01

    Resumo: As azirinas são intermediários sintéticos importantes na química de heterocíclicos. No presente trabalho, reações de 3-fenil-2-formil-2H-azirina(41) e 3-fenil-2-formil-2-metil-2H-azirina(42) que possuem um grupo aldeído na posição 2 do anel, são investigadas. A reação de (41) com hidrazina leva a 4-amino-3-fenil-pirazol (57) e a reação de (42), que possui um substituinte metila adicional na posição 2 do anel, com o mesmo nucleófilo leva a 1,4-dihidro 3-fenil-5-metil-1,2,4-triazina (72...

  16. Charge transfer in energetic Li^2+ - H collisions

    Science.gov (United States)

    Mancev, I.

    2008-07-01

    The total cross sections for charge transfer in Li^2+ - H collisions have been calculated, using the four-body first Born approximation with correct boundary conditions (CB1-4B) and four-body continuum distorted wave method (CDW-4B) in the energy range 10 - 5000 keV/amu. Present results call for additional experimental data at higher impact energies than presently available.

  17. A Metalloradical Approach to 2H-Chromenes

    Science.gov (United States)

    Paul, Nanda D.; Mandal, Sutanuva; Otte, Matthias; Cui, Xin; Zhang, X. Peter; de Bruin, Bas

    2014-01-01

    Cobalt(III)–carbene radicals, generated through metalloradical activation of salicyl N-tosylhydrazones by cobalt(II) complexes of porphyrins, readily undergo radical addition to terminal alkynes to produce salicyl-vinyl radical intermediates. Subsequent hydrogen atom transfer (HAT) from the hydroxy group of the salicyl-moiety to the vinyl-radical leads to the formation of 2H-chromenes. The Co(II)-catalyzed process can tolerate various substitution patterns and produces the corresponding 2H-chromene products in good isolated yields. EPR spectroscopy and radical-trapping experiments with TEMPO are in agreement with the proposed radical mechanism. DFT calculations reveal the formation of the salicyl-vinyl radical intermediate by a metalloradical mediated process. Unexpectedly, subsequent HAT from the hydroxy moiety to the vinyl radical leads to formation of an o-quinone methide intermediate, which dissociates spontaneously from the cobalt center and easily undergoes an endo-cyclic, sigmatropic ring-closing reaction to form the final 2H-chromene product. PMID:24400781

  18. Hydrogenation and Deuteration of C2H2 and C2H4 on Cold Grains: A Clue to the Formation Mechanism of C2H6 with Astronomical Interest

    Science.gov (United States)

    Kobayashi, Hitomi; Hidaka, Hiroshi; Lamberts, Thanja; Hama, Tetsuya; Kawakita, Hideyo; Kästner, Johannes; Watanabe, Naoki

    2017-03-01

    We quantitatively investigated the hydrogen addition reactions of acetylene (C2H2) and ethylene (C2H4) on amorphous solid water (ASW) at 10 and 20 K relevant to the formation of ethane (C2H6) on interstellar icy grains. We found that the ASW surface enhances the reaction rates for C2H2 and C2H4 by approximately a factor of 2 compared to those on the pure-solid C2H2 and C2H4 at 10 K, probably due to an increase in the sticking coefficient and adsorption energy of the H atoms on ASW. In contrast to the previous proposal that the hydrogenation rate of C2H4 is orders of magnitude larger than that of C2H2, the present results show that the difference in hydrogenation rates of C2H2 and C2H4 is only within a factor of 3 on both the surfaces of pure solids and ASW. In addition, we found the small kinetic isotope effect for hydrogenation/deuteration of C2H2 and C2H4 at 10 K, despite the requirement of quantum tunneling. At 20 K, the reaction rate of deuteration becomes even larger than that of hydrogenation. These unusual isotope effects might originate from a slightly larger number density of D atoms than H atoms on ASW at 20 K. The hydrogenation of C2H2 is four times faster than CO hydrogenation and can produce C2H6 efficiently through C2H4 even in the environment of a dark molecular cloud.

  19. Menthyl 2-oxo-2H-chromene-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Cui-Lian Xu

    2009-10-01

    Full Text Available The title compound, C20H24O4, was synthesized from the reaction of 2-oxo-2H-chromene-3-acyl chloride and menthol. The mean plane of the ester group and that of the four essentially planar (maximum deviation 0.0112 Å C atoms of the chair-form cyclohexyl ring form dihedral angles of 43.8 (3 ° and 81.8 (1°, respectively, with the mean plane of the coumarin ring system. In the crystal structure, weak intermolecular C—H...O hydrogen bonds connect the molecules into a two-dimensional network.

  20. Multiobjective H2/H? Control Design with Regional Pole Constraints

    Directory of Open Access Journals (Sweden)

    Junaidi Junaidi

    2012-03-01

    Full Text Available This paper presents multiobjective H2/H? control design with regional pole constraints. The state feedback gain can be obtained by solving a linear matrix inequality (LMI feasibility problem that robustly assigns the closed-loop poles in a prescribed LMI region. The proposed technique is illustrated with applications to the design of stabilizer for a typical single-machine infinite-bus (SMIB power system. The LMI-based control ensures adequate damping for widely varying system operating conditions. The simulation results illustrate the effectiveness and robustness of the proposed stabilizer.

  1. Role of 2p-2h MEC excitations in superscaling

    Energy Technology Data Exchange (ETDEWEB)

    De Pace, A. E-mail: depace@to.infn.it; Nardi, M.; Alberico, W.M.; Donnelly, T.W.; Molinari, A

    2004-09-06

    Following recent studies of inclusive electron scattering from nuclei at high energies which focused on two-nucleon emission mediated by meson-exchange currents, in this work the superscaling behavior of such contributions is investigated. Comparisons are made with existing data below the quasielastic peak where at high momentum transfers scaling of the second kind is known to be excellent and scaling of the first kind is good, in the proximity of the peak where both 1p-1h and 2p-2h contributions come into play, and above the peak where inelasticity becomes important and one finds scaling violations of the two kinds.

  2. Physical and spectroscopic properties of pure C2H4 and CH4:C2H4 ices

    Science.gov (United States)

    Molpeceres, Germán; Satorre, Miguel Angel; Ortigoso, Juan; Zanchet, Alexandre; Luna, Ramón; Millán, Carlos; Escribano, Rafael; Tanarro, Isabel; Herrero, Víctor J.; Maté, Belén

    2017-04-01

    Physical and spectroscopic properties of ices of C2H4 and CH4:C2H4 mixtures with 3:1, 1:1 and 1:3 ratios have been investigated at 30 K. Two laboratories are involved in this work. In one of them, the density and refractive index of the samples have been measured by using a cryogenic quartz microbalance and laser interferometric techniques. In the other one, IR spectra have been recorded in the near- and mid-infrared regions, and band shifts with respect to the pure species, band strengths of the main bands, and the optical constants in both regions have been determined. Previous data on ethylene and the mixtures studied here were scarce. For methane, both the wavenumbers and band strengths have been found to follow a regular pattern of decrease with increasing dilution, but no pattern has been detected for ethylene vibrations. The method employed for the preparation of the samples, by vapour deposition under vacuum, is thought to be adequate to mimic the structure of astrophysical ices. Possible astrophysical implications, especially by means of the optical constants reported here, have been discussed.

  3. Vibrational and Rotational Spectroscopy of CD_2H^+

    Science.gov (United States)

    Asvany, Oskar; Jusko, Pavol; Brünken, Sandra; Schlemmer, Stephan

    2016-06-01

    The lowest rotational levels (J=0-5) of the CD_2H^+ ground state have been probed by high-resolution rovibrational and pure rotational spectroscopy in a cryogenic 22-pole ion trap. For this, the ν_1 rovibrational band has been revisited, detecting 107 transitions, among which 35 are new. The use of a frequency comb system allowed to measure the rovibrational transitions with high precision and accuracy, typically better than 1 MHz. The high precision has been confirmed by comparing combination differences in the ground and vibrationally excited state. For the ground state, this allowed for equally precise predictions of pure rotational transitions, 24 of which have been measured directly by a novel IR - mm-wave double resonance method. M.-F. Jagod et al, J. Molec. Spectrosc. 153, 666, 1992 S. Gartner et al, J. Phys. Chem. A 117, 9975, 2013

  4. 2H NMR studies of supercooled and glassy aspirin

    Science.gov (United States)

    Nath, R.; Nowaczyk, A.; Geil, B.; Bohmer, R.

    2007-11-01

    Acetyl salicylic acid, deuterated at the methyl group, was investigated using 2H-NMR in its supercooled and glassy states. Just above the glass transition temperature the molecular reorientations were studied using stimulated-echo spectroscopy and demonstrated a large degree of similarity with other glass formers. Deep in the glassy phase the NMR spectra look similar to those reported for the crystal [A. Detken, P. Focke, H. Zimmermann, U. Haeberlen, Z. Olejniczak, Z. T. Lalowicz, Z. Naturforsch. A 50 (1995) 95] and below 20 K they are indicative for rotational tunneling with a relatively large tunneling frequency. Measurements of the spin-lattice relaxation times for temperatures below 150 K reveal a broad distribution of correlation times in the glass. The dominant energy barrier characterizing the slow-down of the methyl group is significantly smaller than the well defined barrier in the crystal.

  5. Detailed Studies of Hydrocarbon Radicals: C2H Dissociation

    Energy Technology Data Exchange (ETDEWEB)

    Wittig, Curt

    2014-10-06

    A novel experimental technique was examined whose goal was the ejection of radical species into the gas phase from a platform (film) of cold non-reactive material. The underlying principle was one of photo-initiated heat release in a stratum that lies below a layer of CO2 or a layer of amorphous solid water (ASW) and CO2. A molecular precursor to the radical species of interest is deposited near or on the film's surface, where it can be photo-dissociated. It proved unfeasible to avoid the rampant formation of fissures, as opposed to large "flakes." This led to many interesting results, but resulted in our aborting the scheme as a means of launching cold C2H radical into the gas phase. A journal article resulted that is germane to astrophysics but not combustion chemistry.

  6. 2H and 18O Freshwater Isoscapes of Scotland

    Science.gov (United States)

    Meier-Augenstein, Wolfram; Hoogewerff, Jurian; Kemp, Helen; Frew, Danny

    2013-04-01

    Scotland's freshwater lochs and reservoirs provide a vital resource for sustaining biodiversity, agriculture, food production as well as for human consumption. Regular monitoring of freshwaters by the Scottish Environment Protection Agency (SEPA) fulfils legislative requirements with regards to water quality but new scientific methods involving stable isotope analysis present an opportunity combining these mandatory monitoring schemes with fundamental research to inform and deliver on current and nascent government policies [1] through gaining a greater understanding of Scottish waters and their importance in the context of climate change, environmental sustainability and food security. For example, 2H and 18O isoscapes of Scottish freshwater could be used to underpin research and its applications in: • Climate change - Using longitudinal changes in the characteristic isotope composition of freshwater lochs and reservoirs as proxy, isoscapes will provide a means to assess if and how changes in temperature and weather patterns might impact on precipitation patterns and amount. • Scottish branding - Location specific stable isotope signatures of Scottish freshwater have the potential to be used as a tool for provenancing and thus protecting premium Scottish produce such as Scottish beef, Scottish soft fruit and Scottish Whisky. During 2011 and 2012, with the support of SEPA more than 110 samples from freshwater lochs and reservoirs were collected from 127 different locations across Scotland including the Highlands and Islands. Here we present the results of this sampling and analysis exercise isotope analyses in form of 2H and 18O isoscapes with an unprecedented grid resolution of 26.5 × 26.5 km (or 16.4 × 16.4 miles). [1] Adaptation Framework - Adapting Our Ways: Managing Scotland's Climate Risk (2009): Scotland's Biodiversity: It's in Your Hands - A strategy for the conservation and enhancement of biodiversity in Scotland (2005); Recipe For Success - Scotland

  7. The Distribution of Synaptotagmin Ⅱ in RBL-2H3 and Its Regulation on Exocytosis of Lysosomes in RBL-2H3

    Institute of Scientific and Technical Information of China (English)

    Jicheng Zhang; Jianmin Wu; Shixiu Pan; Wenli Lv

    2005-01-01

    Synaptotagmin (Syt) constitutes a family of membrane-trafficking proteins, so far nearly 20 Syts have been discovered. Extensive work showed that synatotagmins were a potential Ca2+ sensor for regulated exocytosis. This study was to investigate the expression and location of synaptotagmin Ⅱ (Syt2) in RBL-2H3 (RBL) and its role in regulating exocytosis of RBL. The expression of Syt2 in RBL was confirmed by Western blot. The recombinant expression vector pEGFP-N1-Syt2 was constructed and transfected into RBL by electroporation, the stable transfectant RBL-Syt2-S expressing fusion protein Syt2-EGFP were obtained and Syt2 was highly concentrated at plasma membrane with little detected in cytoplasm. To analyze the role of Syt2 during exocytosis of RBL, the release of cathepsin D was assayed by immunoblotting. Compared with control, the release of cathepsin D by RBL-Syt2-S was markedly decreased. The results indicated that Syt2 played a negative regulation in exocytosis of lysosomes in RBL.

  8. Ab initio study of {sup 2}H(d,{gamma}){sup 4}He, {sup 2}H(d,p){sup 3}H, and {sup 2}H(d,n){sup 4}He reactions and the tensor force

    Energy Technology Data Exchange (ETDEWEB)

    Arai, K.; Aoyama, S.; Suzuki, Y.; Descouvemont, P.; Baye, D. [Division of General Education, Nagaoka National College of Technology, 888 Nishikatakai, Nagaoka, Niigata, 940-8532 (Japan); Center for Academic Information Service, Niigata University, Niigata 950-2181 (Japan); Department of Physics, Niigata University, Niigata 950-2181, Japan and RIKEN Nishina Center, Wako 351-0198 (Japan); Physique Nucleaire Theorique et Physique Mathematique, C.P.229, Universite Libre de Bruxelles, B 1050 Brussels (Belgium); Physique Quantique, CP165/82, Universite Libre de Bruxelles, B-1050 Brussels (Belgium)

    2012-11-12

    The {sup 2}H(d,p){sup 3}H, {sup 2}H(d,n){sup 3}He, and {sup 2}H(d,{gamma}){sup 4}He reactions at low energies are studied with realistic nucleon-nucleon interactions in an ab initio approach. The obtained astrophysical S-factors are all in very good agreement with experiment. The most important channels for both transfer and radiative capture are all found to dominate thanks to the tensor force.

  9. 2H NMR studies of glycerol dynamics in protein matrices.

    Science.gov (United States)

    Herbers, C R; Sauer, D; Vogel, M

    2012-03-28

    We use (2)H NMR spectroscopy to investigate the rotational motion of glycerol molecules in matrices provided by the connective tissue proteins elastin and collagen. Analyzing spin-lattice relaxation, line-shape properties, and stimulated-echo decays, we determine the rates and geometries of the motion as a function of temperature and composition. It is found that embedding glycerol in an elastin matrix leads to a mild slowdown of glycerol reorientation at low temperatures and glycerol concentrations, while the effect vanishes at ambient temperatures or high solvent content. Furthermore, it is observed that the nonexponential character of the rotational correlation functions is much more prominent in the elastin matrix than in the bulk liquid. Results from spin-lattice relaxation and line shape measurements indicate that, in the mixed systems, the strong nonexponentiality is in large part due to the existence of distributions of correlation times, which are broader on the long-time flank and, hence, more symmetric than in the neat system. Stimulated-echo analysis of slow glycerol dynamics reveals that, when elastin is added, the mechanism for the reorientation crosses over from small-angle jump dynamics to large-angle jump dynamics and the geometry of the motion changes from isotropic to anisotropic. The results are discussed against the background of present and previous findings for glycerol and water dynamics in various protein matrices and compared with observations for other dynamically highly asymmetric mixtures so as to ascertain in which way the viscous freezing of a fast component in the matrix of a slow component differs from the glassy slowdown in neat supercooled liquids.

  10. High/variable mixture ratio O2/H2 engine

    Science.gov (United States)

    Adams, A.; Parsley, R. C.

    1988-01-01

    Vehicle/engine analysis studies have identified the High/Dual Mixture Ratio O2/H2 Engine cycle as a leading candidate for an advanced Single Stage to Orbit (SSTO) propulsion system. This cycle is designed to allow operation at a higher than normal O/F ratio of 12 during liftoff and then transition to a more optimum O/F ratio of 6 at altitude. While operation at high mixture ratios lowers specific impulse, the resultant high propellant bulk density and high power density combine to minimize the influence of atmospheric drag and low altitude gravitational forces. Transition to a lower mixture ratio at altitude then provides improved specific impulse relative to a single mixture ratio engine that must select a mixture ratio that is balanced for both low and high altitude operation. This combination of increased altitude specific impulse and high propellant bulk density more than offsets the compromised low altitude performance and results in an overall mission benefit. Two areas of technical concern relative to the execution of this dual mixture ratio cycle concept are addressed. First, actions required to transition from high to low mixture ratio are examined, including an assessment of the main chamber environment as the main chamber mixture ratio passes through stoichiometric. Secondly, two approaches to meet a requirement for high turbine power at high mixture ratio condition are examined. One approach uses high turbine temperature to produce the power and requires cooled turbines. The other approach incorporates an oxidizer-rich preburner to increase turbine work capability via increased turbine mass flow.

  11. 2H NMR studies of glycerol dynamics in protein matrices

    Science.gov (United States)

    Herbers, C. R.; Sauer, D.; Vogel, M.

    2012-03-01

    We use 2H NMR spectroscopy to investigate the rotational motion of glycerol molecules in matrices provided by the connective tissue proteins elastin and collagen. Analyzing spin-lattice relaxation, line-shape properties, and stimulated-echo decays, we determine the rates and geometries of the motion as a function of temperature and composition. It is found that embedding glycerol in an elastin matrix leads to a mild slowdown of glycerol reorientation at low temperatures and glycerol concentrations, while the effect vanishes at ambient temperatures or high solvent content. Furthermore, it is observed that the nonexponential character of the rotational correlation functions is much more prominent in the elastin matrix than in the bulk liquid. Results from spin-lattice relaxation and line shape measurements indicate that, in the mixed systems, the strong nonexponentiality is in large part due to the existence of distributions of correlation times, which are broader on the long-time flank and, hence, more symmetric than in the neat system. Stimulated-echo analysis of slow glycerol dynamics reveals that, when elastin is added, the mechanism for the reorientation crosses over from small-angle jump dynamics to large-angle jump dynamics and the geometry of the motion changes from isotropic to anisotropic. The results are discussed against the background of present and previous findings for glycerol and water dynamics in various protein matrices and compared with observations for other dynamically highly asymmetric mixtures so as to ascertain in which way the viscous freezing of a fast component in the matrix of a slow component differs from the glassy slowdown in neat supercooled liquids.

  12. Beneficial associations of physical activity with 2-h but not fasting blood glucose in Australian adults: the AusDiab study.

    Science.gov (United States)

    Healy, Genevieve N; Dunstan, David W; Shaw, Jonathan E; Zimmet, Paul Z; Owen, Neville

    2006-12-01

    We examined the associations of physical activity with fasting plasma glucose (FPG) and with 2-h postload plasma glucose (2-h PG) in men and women with low, moderate, and high waist circumference. The Australian Diabetes, Obesity and Lifestyle (AusDiab) study provided data on a population-based cross-sectional sample of 4,108 men and 5,106 women aged >or=25 years without known diabetes or health conditions that could affect physical activity. FPG and 2-h PG were obtained from an oral glucose tolerance test. Self-reported physical activity level was defined according to the current public health guidelines as active (>or=150 min/week across five or more sessions) or inactive (physical activity time were used to ascertain dose response. Being physically active and total physical activity time were independently and negatively associated with 2-h PG. When physical activity level was considered within each waist circumference category, 2-h PG was significantly lower in active high-waist circumference women (beta -0.30 [95% CI -0.59 to -0.01], P = 0.044) and active low-waist circumference men (beta -0.25 [-0.49 to -0.02], P = 0.036) compared with their inactive counterparts. Considered across physical activity and waist circumference categories, 2-h PG levels were not significantly different between active moderate-waist circumference participants and active low-waist circumference participants. Associations between physical activity and FPG were nonsignificant. There are important differences between 2-h PG and FPG related to physical activity. It appears that 2-h PG is more sensitive to the beneficial effects of physical activity, and these benefits occur across the waist circumference spectrum.

  13. Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface

    Science.gov (United States)

    Chen, Liuyang; Shao, Kejie; Chen, Jun; Yang, Minghui; Zhang, Dong H.

    2016-05-01

    This work performs a time-dependent wavepacket study of the H2 + C2H → H + C2H2 reaction on a new ab initio potential energy surface (PES). The PES is constructed using neural network method based on 68 478 geometries with energies calculated at UCCSD(T)-F12a/aug-cc-pVTZ level and covers H2 + C2H↔H + C2H2, H + C2H2 → HCCH2, and HCCH2 radial isomerization reaction regions. The reaction dynamics of H2 + C2H → H + C2H2 are investigated using full-dimensional quantum dynamics method. The initial-state selected reaction probabilities are calculated for reactants in eight vibrational states. The calculated results showed that the H2 vibrational excitation predominantly enhances the reactivity while the excitation of bending mode of C2H slightly inhibits the reaction. The excitations of two stretching modes of C2H molecule have negligible effect on the reactivity. The integral cross section is calculated with J-shift approximation and the mode selectivity in this reaction is discussed. The rate constants over 200-2000 K are calculated and agree well with the experimental measured values.

  14. Data of evolutionary structure change: 1ATGA-2H5YB [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1ATGA-2H5YB 1ATG 2H5Y A B ---ELKVVTATNFLGTLEQLAGQFAKQTGHAVVISSGSS...>QTAPVTVFAAASLKESMDEAATAYEKATGTPVRVSYAASSALARQIEQGAPADVFLSADLEWMDYLQQHGLVLPAQRHNL...HHHH - 0 1ATG... A 1ATGA KVLAG--NGWRH 1ATG A 1ATGA DKL

  15. Data of evolutionary structure change: 1ATGA-2H5YC [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1ATGA-2H5YC 1ATG 2H5Y A C --ELKVVTATNFLGTLEQLAGQFAKQTGHAVVISSGSSG...>TAPVTVFAAASLKESMDEAATAYEKATGTPVRVSYAASSALARQIEQGAPADVFLSADLEWMDYLQQHGLVLPAQRHNLL...HHHHHHHHH - 0 1ATG... A 1ATGA PGSHW---F... 1ATG A 1ATG

  16. A study of the ground states of CaC2H+2,CaC2D+2 and CaC2H+4

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The geometries, vibrational frequencies and bind energies are reported for the ground states of CaC2H+2, CaC2D+2 and CaC2H+4. CaC2H+2 and CaC2H+4 equilibrium geometries have C2v symmetry with the metal ion lying in the perpendicular bisector of the C-C bond. The ground state in both CaC2H+2 and CaC2H+4 molecules ia a 2A1 state and the binding in the ground state is mainly electrostatic. For both CaC2H+2 and CaC2H+4 the ligand is only slightly distorted from its free ligand structure, the C-C distance has hardly increased and there is only a very small bending of the H atom away from the Ca atom. This is consistent with the electrostatic nature of the bonding. Two different approaches-Hartree-Fock(HF) and density functional theory methods(DFT)-are used and basis sets here used is 6-311+G(3df,2p). The DFT results are in good agreement with experiments, namely, DFT methods provide the benefits that some more expensive ab initio methods can do, but at essentially HF cost. So it is important to include electron correlation for accurate results in this study.

  17. Remarkably efficient synthesis of 2H-indazole 1-oxides and 2H-indazoles via tandem carbon-carbon followed by nitrogen-nitrogen bond formation.

    Science.gov (United States)

    Bouillon, Isabelle; Zajícek, Jaroslav; Pudelová, Nadĕzda; Krchnák, Viktor

    2008-11-21

    Base-catalyzed tandem carbon-carbon followed by nitrogen-nitrogen bond formations quantitatively converted N-alkyl-2-nitro-N-(2-oxo-2-aryl-ethyl)-benzenesulfonamides to 2H-indazoles 1-oxides under mild conditions. Triphenylphosphine or mesyl chloride/triethylamine-mediated deoxygenation afforded 2H-indazoles.

  18. Kinetics of the reactions H+C2H4->C2H5, H+C2H5->2CH3 and CH3+C2H5->products studies by pulse radiolysis combined with infrared diode laser spectroscopy

    DEFF Research Database (Denmark)

    Sillesen, A.; Ratajczak, E.; Pagsberg, P.

    1993-01-01

    Formation of methyl radicals via the consecutive reactions H+C2H4+M-->C2H5+M (1) and H+C2H5-->CH3+CH3 (2a) was initiated by pulse radiolysis of 10-100 mbar H-2 in the presence of ethylene. The kinetics of CH3 Were studied by monitoring the transient infrared absorption at the Q(3, 3) line of the v2......=0-->1 vibrational transition at 606.12 cm-1. Reaction (2a) proceeds in competition with the reaction H+C2H5+M-->C2H6+M (2b). The methyl radicals are consumed by CH3+CH3+M-->C2H6+M (3), CH3+C2H5-->products (4), and H+CH3+M-->CH4+ M (5). By computer simulations based on determined absolute radical yields...

  19. Dehydrocoupling of dimethylamine borane catalyzed by Rh(PCy3)2H2Cl.

    Science.gov (United States)

    Sewell, Laura J; Huertos, Miguel A; Dickinson, Molly E; Weller, Andrew S; Lloyd-Jones, Guy C

    2013-04-15

    The Rh(III) species Rh(PCy3)2H2Cl is an effective catalyst (2 mol %, 298 K) for the dehydrogenation of H3B·NMe2H (0.072 M in 1,2-F2C6H4 solvent) to ultimately afford the dimeric aminoborane [H2BNMe2]2. Mechanistic studies on the early stages in the consumption of H3B·NMe2H, using initial rate and H/D exchange experiments, indicate possible dehydrogenation mechanisms that invoke turnover-limiting N-H activation, which either precedes or follows B-H activation, to form H2B═NMe2, which then dimerizes to give [H2BNMe2]2. An additional detail is that the active catalyst Rh(PCy3)2H2Cl is in rapid equilibrium with an inactive dimeric species, [Rh(PCy3)H2Cl]2. The reaction of Rh(PCy3)2H2Cl with [Rh(PCy3)H2(H2)2][BAr(F)4] forms the halide-bridged adduct [Rh(PCy3)2H2(μ-Cl)H2(PCy3)2Rh][BAr(F)4] (Ar(F) = 3,5-(CF3)2C6H3), which has been crystallographically characterized. This dinuclear cation dissociates on addition of H3B·NMe2H to re-form Rh(PCy3)2H2Cl and generate [Rh(PCy3)2H2(η(2)-H3B·NMe2H)][BAr(F)4]. The fate of the catalyst at low catalyst loadings (0.5 mol %) is also addressed, with the formation of an inactive borohydride species, Rh(PCy3)2H2(η(2)-H2BH2), observed. On addition of H3B·NMe2H to Ir(PCy3)2H2Cl, the Ir congener Ir(PCy3)2H2(η(2)-H2BH2) is formed, with concomitant generation of the salt [H2B(NMe2H)2]Cl.

  20. Sepsis does not alter red blood cell glucose metabolism or Na+ concentration: A 2H-, 23Na-NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Hotchkiss, R.S.; Song, S.K.; Ling, C.S.; Ackerman, J.J.; Karl, I.E. (Washington Univ. School of Medicine, St. Louis (USA))

    1990-01-01

    The effects of sepsis on intracellular Na+ concentration ((Na+)i) and glucose metabolism were examined in rat red blood cells (RBCs) by using 23Na- and 2H-nuclear magnetic resonance (NMR) spectroscopy. Sepsis was induced in 15 halothane-anesthetized female Sprague-Dawley rats by using the cecal ligation and perforation technique; 14 control rats underwent cecal manipulation without ligation. The animals were fasted for 36 h, but allowed free access to water. At 36 h postsurgery, RBCs were examined by 23Na-NMR by using dysprosium tripolyphosphate as a chemical shift reagent. Human RBCs from 17 critically ill nonseptic patients and from 7 patients who were diagnosed as septic were also examined for (Na+)i. Five rat RBC specimens had (Na+)i determined by both 23Na-NMR and inductively coupled plasma-atomic emission spectroscopy (ICP-AES). For glucose metabolism studies, RBCs from septic and control rats were suspended in modified Krebs-Henseleit buffer containing (6,6-2H2)glucose and examined by 2H-NMR. No significant differences in (Na+)i or glucose utilization were found in RBCs from control or septic rats. There were no differences in (Na+)i in the two groups of patients. The (Na+)i determined by NMR spectroscopy agreed closely with measurements using ICP-AES and establish that 100% of the (Na+)i of the RBC is visible by NMR. Glucose measurements determined by 2H-NMR correlated closely (correlation coefficient = 0.93) with enzymatic analysis. These studies showed no evidence that sepsis disturbed RBC membrane function or metabolism.

  1. Um estudo teórico relativo à não-linearidade da ligação de hidrogênio em sistemas heterocíclicos C2H4O-C2H2 e C2H4S-C2H2 A theoretical study about the non-linearity of the hydrogen bonding in the C2H4O-C2H2 and C2H4S-C2H2 heterocyclic systems

    Directory of Open Access Journals (Sweden)

    Boaz G. Oliveira

    2007-10-01

    Full Text Available B3LYP/6-31G(d,p calculations were used to determine the optimized geometries of the C2H4O-C2H2 and C2H4S-C2H2 heterocyclic hydrogen-bonded complexes. Results of structural, rotational, electronic and vibrational parameters indicate that the hydrogen bonding is non-linear due to the pi bond of the acetylene interacting with the hydrogen atoms of the methyl groups of the three-membered rings. Moreover, the theoretical investigation showed that the non-linearity is much more intriguing, since there is a structural disjunction on the acetylene within the heterocyclic system.

  2. C2H2 adsorption in three isostructural metal-organic frameworks: boosting C2H2 uptake by rational arrangement of nitrogen sites.

    Science.gov (United States)

    Song, Chengling; Jiao, Jingjing; Lin, Qiyi; Liu, Huimin; He, Yabing

    2016-03-21

    Replacing the benzene spacer in the organic linker 5,5'-(benzene-1,4-diyl)diisophthalate with the nitrogen containing heterocyclic rings, namely, pyrazine, pyridazine, and pyrimidine results in three organic linkers, which were reacted with copper ions under solvothermal conditions to form three isostructural metal-organic frameworks (ZJNU-46, ZJNU-47 and ZJNU-48) exhibiting exceptionally high sorption capacities with regard to acetylene due to the simultaneous immobilization of open metal sites and Lewis basic nitrogen sites in the frameworks. At 1 atm and 295 K, the gravimetric C2H2 adsorption uptakes reach 187, 213 and 193 cm(3) (STP) g(-1) for these three compounds. The gravimetric C2H2 adsorption amount of ZJNU-47a is the second highest reported for MOF materials. Notably, despite their same porosities, and densities of open metal sites and uncoordinated nitrogen sites, distinctly different C2H2 adsorption capacities were observed for these three compounds, which we think are mainly associated with the difference in the relative position of nitrogen atoms leading to different binding affinities of the frameworks towards C2H2 guest molecules, and thus different C2H2 adsorptions. This work demonstrates that the rational arrangement of open nitrogen sites will favorably improve the C2H2 uptake and thus provides useful information for future design of porous MOFs with high acetylene storage capacities.

  3. A microporous metal-organic framework for selective C2H2 and CO2 separation

    Science.gov (United States)

    Lin, Rong-Guang; Lin, Rui-Biao; Chen, Banglin

    2017-08-01

    A quartzlike metal-organic framework with interesting one dimensional channel has been synthesized. It exhibits considerable acetylene and carbon dioxide uptake of 41.5 and 24.6 cm3 g-1, respectively, and relatively high selectivity for separation of C2H2/C2H4, C2H2/CH4, CO2/CH4 and CO2/N2 at ambient condition.

  4. On the Meshing Efficiency of 2K-2H Type Planetary Gear Reducer

    Directory of Open Access Journals (Sweden)

    Long-Chang Hsieh

    2013-01-01

    Full Text Available This paper proposes 2K–2H type planetary gear reducer and analyzes its meshing efficiency. First, according to the concept of train value equation, the kinematic design of 2K–2H type planetary gear reducers is carried out. Three 2K–2H type planetary gear reducers are designed to illustrate the design algorithm. Then, based on the latent power theorem, the meshing efficiency equation of 2K–2H type planetary gear reducer is derived. According to the meshing efficiency equation, the meshing efficiencies of 2K–2H type planetary gear reducers are analyzed. The 2K–2H type planetary gear reducer has the following characteristics. (1 There is a power circulation in 2K–2H type planetary gear reducer. (2 Larger reduction ratio makes less meshing efficiency. (3 For the same reduction ratio, larger value ξ42 (ξα will get better meshing efficiency. (4 For 2K–2H type planetary gear reducer, the quality of gears is an important factor. (5 The efficiency of gears manufactured by grinding is only improved by 1.5%; however, meshing efficiency of 2K–2H type planetary gear reducer is improved by 28%~44.8%.

  5. On the Meshing Efficiency of 2K-2H Type Planetary Gear Reducer

    OpenAIRE

    Long-Chang Hsieh; Hsiu-Chen Tang

    2013-01-01

    This paper proposes 2K-2H type planetary gear reducer and analyzes its meshing efficiency. First, according to the concept of train value equation, the kinematic design of 2K-2H type planetary gear reducers is carried out. Three 2K-2H type planetary gear reducers are designed to illustrate the design algorithm. Then, based on the latent power theorem, the meshing efficiency equation of 2K-2H type planetary gear reducer is derived. According to the meshing efficiency equation, the meshing effi...

  6. Calculational and Experimental Investigations of the Pressure Effects on Radical - Radical Cross Combinations Reactions: C2H5 + C2H3

    Science.gov (United States)

    Fahr, Askar; Halpern, Joshua B.; Tardy, Dwight C.

    2007-01-01

    Pressure-dependent product yields have been experimentally determined for the cross-radical reaction C2H5 + C2H3. These results have been extended by calculations. It is shown that the chemically activated combination adduct, 1-C4H8*, is either stabilized by bimolecular collisions or subject to a variety of unimolecular reactions including cyclizations and decompositions. Therefore the "apparent" combination/disproportionation ratio exhibits a complex pressure dependence. The experimental studies were performed at 298 K and at selected pressures between about 4 Torr (0.5 kPa) and 760 Torr (101 kPa). Ethyl and vinyl radicals were simultaneously produced by 193 nm excimer laser photolysis of C2H5COC2H3 or photolysis of C2H3Br and C2H5COC2H5. Gas chromatograph/mass spectrometry/flame ionization detection (GC/MS/FID) were used to identify and quantify the final reaction products. The major combination reactions at pressures between 500 (66.5 kPa) and 760 Torr are (1c) C2H5 + C2H3 yields 1-butene, (2c) C2H5 + C2H5 yields n-butane, and (3c) C2H3 + C2H3 yields 1,3-butadiene. The major products of the disproportionation reactions are ethane, ethylene, and acetylene. At moderate and lower pressures, secondary products, including propene, propane, isobutene, 2-butene (cis and trans), 1-pentene, 1,4-pentadiene, and 1,5-hexadiene are also observed. Two isomers of C4H6, cyclobutene and/or 1,2-butadiene, were also among the likely products. The pressure-dependent yield of the cross-combination product, 1-butene, was compared to the yield of n-butane, the combination product of reaction (2c), which was found to be independent of pressure over the range of this study. The [ 1-C4H8]/[C4H10] ratio was reduced from approx.1.2 at 760 Torr (101 kPa) to approx.0.5 at 100 Torr (13.3 kPa) and approx.0.1 at pressures lower than about 5 Torr (approx.0.7 kPa). Electronic structure and RRKM calculations were used to simulate both unimolecular and bimolecular processes. The relative importance

  7. Effect of the on/off Cycling Modulation Time Ratio of C2H2/SF6 Flows on the Formation of Geometrically Controlled Carbon Coils

    Directory of Open Access Journals (Sweden)

    Young-Chul Jeon

    2012-01-01

    Full Text Available Carbon coils could be synthesized using C2H2/H2 as source gases and SF6 as an incorporated additive gas under thermal chemical vapor deposition system. Nickel catalyst layer deposition and then hydrogen plasma pretreatment were performed prior to the carbon coils deposition reaction. To obtain the geometrically controlled carbon coils, the cycling on/off modulation process for C2H2/SF6 flows was introduced during the initial reaction. According to the different reaction processes, the different cycling on/off ratio and the different cycling numbers for C2H2/SF6 flows were carried out. The characteristics (formation density, morphology, and geometry of the deposited carbon coils on the substrate were investigated. Microsized coils as well as nanosized coils could be existed under the higher growing/etching time ratio (180/30 s condition. On the other hand, the formation of nanosized coils could be mainly observed under the lower growing/etching time ratio (30/180 s condition. With increasing the numbers of cycles, the diameters of carbon nanofilaments composed the coils decreased. The enhanced etching ability by the fluorine species was considered the main cause to control the geometry of carbon coils according to the growing/etching time ratio of the cycling on/off modulation process for C2H2/SF6 flows.

  8. A Putative Chloroplast-Localized Ca(2+)/H(+) Antiporter CCHA1 Is Involved in Calcium and pH Homeostasis and Required for PSII Function in Arabidopsis.

    Science.gov (United States)

    Wang, Chao; Xu, Weitao; Jin, Honglei; Zhang, Taijie; Lai, Jianbin; Zhou, Xuan; Zhang, Shengchun; Liu, Shengjie; Duan, Xuewu; Wang, Hongbin; Peng, Changlian; Yang, Chengwei

    2016-08-01

    Calcium is important for chloroplast, not only in its photosynthetic but also nonphotosynthetic functions. Multiple Ca(2+)/H(+) transporters and channels have been described and studied in the plasma membrane and organelle membranes of plant cells; however, the molecular identity and physiological roles of chloroplast Ca(2+)/H(+) antiporters have remained unknown. Here we report the identification and characterization of a member of the UPF0016 family, CCHA1 (a chloroplast-localized potential Ca(2+)/H(+) antiporter), in Arabidopsis thaliana. We observed that the ccha1 mutant plants developed pale green leaves and showed severely stunted growth along with impaired photosystem II (PSII) function. CCHA1 localizes to the chloroplasts, and the levels of the PSII core subunits and the oxygen-evolving complex were significantly decreased in the ccha1 mutants compared with the wild type. In high Ca(2+) concentrations, Arabidopsis CCHA1 partially rescued the growth defect of yeast gdt1Δ null mutant, which is defective in a Ca(2+)/H(+) antiporter. The ccha1 mutant plants also showed significant sensitivity to high concentrations of CaCl2 and MnCl2, as well as variation in pH. Taken these results together, we propose that CCHA1 might encode a putative chloroplast-localized Ca(2+)/H(+) antiporter with critical functions in the regulation of PSII and in chloroplast Ca(2+) and pH homeostasis in Arabidopsis.

  9. Genetic Variants Involved in Mitochondrial Oxidative Metabolism are associated with Type 2 Diabetes Mellitus in studies of 8,441 Danes

    DEFF Research Database (Denmark)

    Snogdal, Lena Sønder; Henriksen, Jan Erik; Beck-Nielsen, Henning;

    a surrogate marker (BIG-AIR) for insulin secretion and variants in COX5B (rs11904110) and COX10 (rs10521253), and between fasting p-glucose and a variant in COX5B (rs11904110) and 2-h post-OGTT plasma glucose and a variant in NDUFV3 (rs8134542) (pdata suggest that genetic variants......=1.14, p=0.02) were significantly associated with T2D. In a subsequent meta-analysis combining our results with data from an avaliable subset of the DIAGRAM data, we demonstrated that three SNPs (rs10775377, rs8077302, rs9915302) in COX10 and a SNP (rs2267584) in a gene (UPK1A) next to COX6B1 were...

  10. Photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 in the VUV region

    Science.gov (United States)

    Xia, T. J.; Chien, T. S.; Wu, C. Y. Robert; Judge, D. L.

    1991-01-01

    Using synchrotron radiation as a continuum light source, the photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 have been measured from their respective ionization thresholds to 1060 A. The vibrational constants associated with the nu(2) totally symmetric, out-of-plane bending vibration of the ground electronic state of PH3(+) have been obtained. The cross sections and quantum yields for producing neutral products through photoexcitation of these molecules in the given spectral regions have also been determined. In the present work, autoionization processes were found to be less important than dissociation and predissociation processes in NH3, PH3, and C2H4. Several experimental techniques have been employed in order to examine the various possible systematic errors critically.

  11. Spiropyrans Containing the Reactive Substituents in the 2H-Chromene Moiety

    Directory of Open Access Journals (Sweden)

    B. S. Lukyanov

    2007-01-01

    Full Text Available Some spiropyrans containing functional substituents in the [2H]-chromene part of the molecule were synthesized and their photochromic properties in solution and solid state were investigated. The presence of the formyl group in the [2H]-chromene fragment enhances the possibility to show photochromic properties in solution.

  12. N2H+ and HC3N Observations of the Orion A Cloud

    CERN Document Server

    Tatematsu, K; Umemoto, T; Sekimoto, Y

    2008-01-01

    The ``integral-shaped filament'' of the Orion A giant molecular cloud was mapped in N2H+, and its northern end, the OMC-2/3 region was observed also in HC3N and CCS. The N2H+ distribution is similar to the dust continuum distribution, except for the central part of the Orion Nebula. The distribution of H13CO+ holds resemblance to that of dust continuum, but the N2H+ distribution looks more similar to dust continuum distribution. The N-bearing molecules, N2H+ and NH3 seem to be more intense in OMC-2, compared with the H13CO+ and CS distribution. We identified 34 cloud cores from N2H+ data. Over the Orion Nebula region, the N2H+ linewidth is large (1.1-2.1 km/s). In the OMC-2/3 region, it becomes moderate (0.5-1.3 km/s), and it is smaller (0.3-1.1 km/s) in the south of the Orion Nebula. On the other hand, the gas kinetic temperature of the quiescent cores observed in N2H+ is rather constant (~ 20 K) over the $\\int$-shaped filament. We detected no CCS emission in the OMC-2/3 region. In general, N2H+ and HC3N dis...

  13. Data of evolutionary structure change: 1ATGA-2H5YA [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1ATGA-2H5YA 1ATG 2H5Y A A --ELKVVTATNFLGTLEQLAGQFAKQTGHAVVISSGSSG...ntryChain> 1ATG A 1ATGA PGSHW---F...n>A 1ATGA DKLTAQERIVEA HHH...ryChain> 1ATG A 1ATGA 1ATGA KSTAEKANAEQ HHHHHH

  14. Data of evolutionary structure change: 1GAZA-2H5ZB [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available pdbChain> 2H5ZB YALGV---PKSEL ...>HH --- H> ATOM 1072 CA TYR B 13 1.905 24.96...> KRLGMDGYRGISL cture>HH GGG H> B 2H5ZB KIKSQ-QGWTA ...>HHHH - GGG> ATOM 1716 CA LYS B 95 8.769 19.520 18.9

  15. Data of evolutionary structure change: 1DFIA-2H9IA [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1DFIA-2H9IA 1DFI 2H9I A A -GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTY...QNDKLKGRVEEFAAQL-GSDIVLQCDVAEDASI----DTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALL...TLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRT--------------------LMLAHCEAVTPIR-RTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIA...AMNE AGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFD--RLRLI...in> 1DFI A 1DFIA FAAQL-GSDIV

  16. Synthesis of 2H-indazoles by the [3 + 2] dipolar cycloaddition of sydnones with arynes.

    Science.gov (United States)

    Fang, Yuesi; Wu, Chunrui; Larock, Richard C; Shi, Feng

    2011-11-04

    A rapid and efficient synthesis of 2H-indazoles has been developed using a [3 + 2] dipolar cycloaddition of sydnones and arynes. A series of 2H-indazoles have been prepared in good to excellent yields using this protocol, and subsequent Pd-catalyzed coupling reactions can be applied to the halogenated products to generate a structurally diverse library of indazoles.

  17. Robustness of N2H+ as tracer of the CO snowline

    Science.gov (United States)

    van't Hoff, M. L. R.; Walsh, C.; Kama, M.; Facchini, S.; van Dishoeck, E. F.

    2017-03-01

    Context. Snowlines in protoplanetary disks play an important role in planet formation and composition. Since the CO snowline is difficult to observe directly with CO emission, its location has been inferred in several disks from spatially resolved ALMA observations of DCO+ and N2H+. Aims: N2H+ is considered to be a good tracer of the CO snowline based on astrochemical considerations predicting an anti-correlation between N2H+ and gas-phase CO. In this work, the robustness of N2H+ as a tracer of the CO snowline is investigated. Methods: A simple chemical network was used in combination with the radiative transfer code LIME to model the N2H+ distribution and corresponding emission in the disk around TW Hya. The assumed CO and N2 abundances, corresponding binding energies, cosmic ray ionization rate, and degree of large-grain settling were varied to determine the effects on the N2H+ emission and its relation to the CO snowline. Results: For the adopted physical structure of the TW Hya disk and molecular binding energies for pure ices, the balance between freeze-out and thermal desorption predicts a CO snowline at 19 AU, corresponding to a CO midplane freeze-out temperature of 20 K. The N2H+ column density, however, peaks 5-30 AU outside the snowline for all conditions tested. In addition to the expected N2H+ layer just below the CO snow surface, models with an N2/CO ratio ≳0.2 predict an N2H+ layer higher up in the disk due to a slightly lower photodissociation rate for N2 as compared to CO. The influence of this N2H+ surface layer on the position of the emission peak depends on the total CO and N2 abundances and the disk physical structure, but the emission peak generally does not trace the column density peak. A model with a total (gas plus ice) CO abundance of 3 × 10-6 with respect to H2 fits the position of the emission peak previously observed for the TW Hya disk. Conclusions: The relationship between N2H+ and the CO snowline is more complicated than generally

  18. The transcriptional regulator c2h2 accelerates mushroom formation in Agaricus bisporus.

    Science.gov (United States)

    Pelkmans, Jordi F; Vos, Aurin M; Scholtmeijer, Karin; Hendrix, Ed; Baars, Johan J P; Gehrmann, Thies; Reinders, Marcel J T; Lugones, Luis G; Wösten, Han A B

    2016-08-01

    The Cys2His2 zinc finger protein gene c2h2 of Schizophyllum commune is involved in mushroom formation. Its inactivation results in a strain that is arrested at the stage of aggregate formation. In this study, the c2h2 orthologue of Agaricus bisporus was over-expressed in this white button mushroom forming basidiomycete using Agrobacterium-mediated transformation. Morphology, cap expansion rate, and total number and biomass of mushrooms were not affected by over-expression of c2h2. However, yield per day of the c2h2 over-expression strains peaked 1 day earlier. These data and expression analysis indicate that C2H2 impacts timing of mushroom formation at an early stage of development, making its encoding gene a target for breeding of commercial mushroom strains.

  19. Structural, elastic and electronic properties of 2H- and 4H-SiC

    Directory of Open Access Journals (Sweden)

    Md. Nuruzzaman

    2015-05-01

    Full Text Available The structural, five different elastic constants and electronic properties of 2H- and 4H-Silicon carbide (SiC are investigated by using density functional theory (DFT. The total energies of primitive cells of 2H- and 4H-SiC phases are close to each other and moreover satisfy the condition E2H >E4H . Thus, the 4H-SiC structure appears to be more stable than the 2H- one. The analysis of elastic properties also indicates that the 4H-SiC polytype is stiffer than the 2H structures. The electronic energy bands, the total density of states (DOS are calculated. The fully relaxed and isotropic bulk modulus is also estimated. The implication of the comparison of our results with the existing experimental and theoretical studies is made.

  20. Nuclear magnetic resonance studies of hydrogen motion in nanostructured Laves-phase hydrides ZrCr(2)H(x) and TaV(2)H(x).

    Science.gov (United States)

    Soloninin, A V; Buzlukov, A L; Skripov, A V; Aleksashin, B A; Tankeyev, A P; Yermakov, A Ye; Mushnikov, N V; Uimin, M A; Gaviko, V S

    2008-07-09

    In order to study the mobility of hydrogen in nanostructured Laves-phase hydrides, we have measured the proton nuclear magnetic resonance (NMR) spectra and the proton spin-lattice and spin-spin relaxation rates in two nanostructured systems prepared by ball milling: ZrCr(2)H(3) and TaV(2)H(1+δ). The proton NMR measurements have been performed at the resonance frequencies of 14, 23.8 and 90 MHz over the temperature ranges 11-424 K (for coarse-grained samples) and 11-384 K (for nanostructured samples). Hydrogen mobility in the ball-milled ZrCr(2)H(3) is found to decrease strongly with increasing milling time. The experimental data suggest that this effect is related to the growth of the fraction of highly distorted intergrain regions where H mobility is much lower than in the crystalline grains. For the nanostructured TaV(2)H(1+δ) system, the ball milling is found to lead to a slight decrease in the long-range H mobility and to a suppression of the fast localized H motion in the crystalline grains.

  1. Structural morphology of gypsum (CaSO 4·2H 2O), brushite (CaHPO 4·2H 2O) and pharmacolite (CaHAsO 4·2H 2O)

    Science.gov (United States)

    Heijnen, W. M. M.; Hartman, P.

    1991-01-01

    A uniform description of the crystal structures of gypsum ( CaSO4·2 H2O), brushite ( CaHPO4·2 H2O) and pharmacolite ( CaHAsO4·2 H2O) is presented. From these structures, a PBC analysis leads to the following F forms: {020}, {011}, {⦶1}11 {120} and {⦶1}22 (for brushite and pharmacolite the counterfaces ( ⦶h⦶k⦶l) are included). Attachment energies of the gypsum F faces have been calculated in an electrostatic point charge model for various charge distributions in the water molecule and in the sulphate ion. The theoretical habits are all platy or tabular {020} with {120}, {011} and {⦶1}11, the latter being smaller than {011}, in disagreement with observation. Arguments are given that {011} can grow in layers {built1}/{2}d 011, and therefore faster, at a supersaturation for which {⦶1}11 cannot grow in half layers, thus removing the discrepancy between theory and experiment. The curious triangular or trapeziumlike habit of brushite has been related to its crystal structure. The polar habit is ascribed to different adsorption of water and cosolutes on opposite faces. The most important forms are {020} with {⦶1}20, 11{⦶1} and {111}, the latter being an S form. Its appearance is ascribed to a habit change.

  2. Trends and variations in CO, C2H6, and HCN in the Southern Hemisphere point to the declining anthropogenic emissions of CO and C2H6

    Directory of Open Access Journals (Sweden)

    N. B. Jones

    2012-08-01

    Full Text Available We analyse the carbon monoxide (CO, ethane (C2H6 and hydrogen cyanide (HCN partial columns (from the ground to 12 km derived from measurements by ground-based solar Fourier Transform Spectroscopy at Lauder, New Zealand (45° S, 170° E, and at Arrival Heights, Antarctica (78° S, 167° E, from 1997 to 2009. Significant negative trends are calculated for all species at both locations, based on the daily-mean observed time series, namely CO (−0.94 ± 0.47% yr−1, C2H6 (−2.37 ± 1.18% yr−1 and HCN (−0.93 ± 0.47% yr−1 at Lauder and CO (−0.92 ± 0.46% yr−1, C2H6 (−2.82 ± 1.37% yr−1 and HCN (−1.41 ± 0.71% yr−1 at Arrival Heights. The uncertainties reflect the 95% confidence limits. However, the magnitudes of the trends are influenced by the anomaly associated with the 1997–1998 El Niño Southern Oscillation event at the beginning of the time series reported. We calculate trends for each month from 1997 to 2009 and find negative trends for all months. The largest monthly trends of CO and C2H6 at Lauder, and to a lesser degree at Arrival Heights, occur during austral spring during the Southern Hemisphere tropical and subtropical biomass burning period. For HCN, the largest monthly trends occur in July and August at Lauder and around November at Arrival Heights. The correlations between CO and C2H6 and between CO and HCN at Lauder in September to November, when the biomass burning maximizes, are significantly larger that those in other seasons. A tropospheric chemistry-climate model is used to simulate CO, C2H6, and HCN partial columns for the period of 1997–2009, using interannually varying biomass burning emissions from GFED3 and annually periodic but seasonally varying emissions from both biogenic and anthropogenic sources. The model-simulated partial columns of these species compare well with the measured partial columns and the model accurately reproduces seasonal cycles of all three species at both locations. However

  3. New Determination of the 2H(d,p)3H and 2H(d,n)3He Reaction Rates at Astrophysical Energies

    Science.gov (United States)

    Tumino, A.; Spartà, R.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Pizzone, R. G.; Tognelli, E.; Degl'Innocenti, S.; Burjan, V.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Mrazek, J.; Piskor, S.; Prada Moroni, P. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.

    2014-04-01

    The cross sections of the 2H(d,p)3H and 2H(d,n)3He reactions have been measured via the Trojan Horse method applied to the quasi-free 2H(3He,p 3H)1H and 2H(3He,n 3He)1H processes at 18 MeV off the proton in 3He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the 2H(d,n)3He reaction is quite influential on 7Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (=1 M ⊙.

  4. Plasma chemistry modeling for an inductively coupled plasma used for the growth of carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Mao Ming; Bogaerts, Annemie, E-mail: annemie.bogaerts@ua.ac.be [Research group PLASMANT, Department of Chemistry, University of Antwerp Universiteitsplein 1, B-2610 Wilrijk-Antwerp (Belgium)

    2011-01-01

    A hybrid model, called the hybrid plasma equipment model (HPEM), is used to describe the plasma chemistry in an inductively coupled plasma, operating in a gas mixture of C{sub 2}H{sub 2} with either H{sub 2} or NH{sub 3}, as typically used for carbon nanotube (CNT) growth. Two-dimensional profiles of power density, electron temperature and density, gas temperature, and densities of some plasma species are plotted and analyzed. Besides, the fluxes of the various plasma species towards the substrate (where the CNTs can be grown), as well as the decomposition rates of the feedstock gases (C{sub 2}H{sub 2}, NH{sub 3} and H{sub 2}), are calculated as a function of the C{sub 2}H{sub 2} fraction in both gas mixtures.

  5. Propensities toward C2H(Ã 2Π) in acetylene photodissociation

    Science.gov (United States)

    Zhang, J.; Riehn, C. W.; Dulligan, M.; Wittig, C.

    1995-10-01

    When expansion-cooled acetylene is excited to the ν″1+3ν″3 vibrational level (4 quanta of CH-stretch) and then photodissociated at 248.3 nm, the dominant product channel is C2H(Ã 2Π). This differs markedly from one-photon 193.3 nm photodissociation, which provides 1200 cm-1 less energy and yields C2H(X˜ 2Σ+) as the primary product. Photodissociation at 121.6 nm yields C2H(Ã 2Π) exclusively.

  6. A practical way to synthesize chiral fluoro-containing polyhydro-2H-chromenes from monoterpenoids

    Science.gov (United States)

    Mikhalchenko, Oksana S; Korchagina, Dina V; Salakhutdinov, Nariman F

    2016-01-01

    Summary Conditions enabling the single-step preparative synthesis of chiral 4-fluoropolyhydro-2H-chromenes in good yields through a reaction between monoterpenoid alcohols with para-menthane skeleton and aldehydes were developed for the first time. The BF3·Et2O/H2O system is used both as a catalyst and as a fluorine source. The reaction can involve aliphatic aldehydes as well as aromatic aldehydes containing various acceptor and donor substituents. 4-Hydroxyhexahydro-2H-chromenes were demonstrated to be capable of converting to 4-fluorohexahydro-2H-chromenes under the developed conditions, the reaction occurs with inversion of configuration. PMID:27340456

  7. Alcohol Chemistry: Tentative Detections of Two New Interstellar Big Molecules CH_3OC_2H_5 and (C_2H_5)_2O

    Science.gov (United States)

    Kuan, Y.-J.; Charnley, S. B.; Wilson, T. L.; Ohishi, M.; Huang, H.-C.; Snyder, L. E.

    1999-05-01

    Recent modeling of gas-grain chemistry demonstrated that many of the organic species are not the products of grain-surface reactions but are in fact synthesized in the warm gas from simpler species produced on grains. To test gas-grain chemistry, in particular alcohol chemistry, we have thus searched for (C_2H_5)_2O (diethyl ether) and CH_3OC_2H_5 (methyl ethyl ether), using the NRAO 12-m, in the giant molecular cloud cores Sgr B2(N), W51 e1/e2 and Orion-KL, where alcohols have been evaporated from ice mantles. In addition, we have also used the BIMA array to observe the 3-mm transitions of the two molecules toward Sgr B2. The preliminary 12-m results indicate clean detections of various line transitions of the two molecular species in the 1-mm, 2-mm and 3-mm regimes in all 3 molecular cloud cores. Furthermore our BIMA maps show a clear concentration of CH_3OH toward Sgr B2(N), the Large Molecule Heimat; sole detections of CH_3OC_2H_5 and (C_2H_5)_2O toward Sgr B2(N), instead of the more evolved Sgr B2(M), are also observed unambiguously as predicted by alcohol chemistry. Our detections of the two complex molecules not only further confirm the gas-grain chemistry but also require specifically that methanol (CH_3OH) and ethanol (C_2H_5OH) to be formed in grain mantles. In addition, the detections of diethyl ether and methyl ethyl ether lead to the discovery of two new molecules, including the largest ever, (C_2H_5)_2O. This work was partially supported by: NSC grants 87-2112-M-003-007 and 88-2112-M-003-013 of Taiwan, National Taiwan Normal University, Academia Sinica Institute of Astronomy and Astrophysics, NSF AST 96-13999, the University of Illinois, and NASA's Exobiology Program.

  8. Epitaxial growth and electronic structure of oxyhydride SrVO{sub 2}H thin films

    Energy Technology Data Exchange (ETDEWEB)

    Katayama, Tsukasa; Chikamatsu, Akira, E-mail: chikamatsu@chem.s.u-tokyo.ac.jp; Yamada, Keisuke; Onozuka, Tomoya [Department of Chemistry, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Shigematsu, Kei [Kanagawa Academy of Science and Technology, Kawasaki, Kanagawa 213-0012 (Japan); Minohara, Makoto; Kumigashira, Hiroshi [Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki 305-0801 (Japan); Ikenaga, Eiji [Japan Synchrotron Radiation Research Institute (JASRI)/SPring-8, Mikazuki-cho, Hyogo 679-5198 (Japan); Hasegawa, Tetsuya [Department of Chemistry, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Kanagawa Academy of Science and Technology, Kawasaki, Kanagawa 213-0012 (Japan)

    2016-08-28

    Oxyhydride SrVO{sub 2}H epitaxial thin films were fabricated on SrTiO{sub 3} substrates via topotactic hydridation of oxide SrVO{sub 3} films using CaH{sub 2}. Structural and composition analyses suggested that the SrVO{sub 2}H film possessed one-dimensionally ordered V-H{sup −}-V bonds along the out-of-plane direction. The synthesis temperature could be lowered by reducing the film thickness, and the SrVO{sub 2}H film was reversible to SrVO{sub 3} by oxidation through annealing in air. Photoemission and X-ray absorption spectroscopy measurements revealed the V{sup 3+} valence state in the SrVO{sub 2}H film, indicating that the hydrogen existed as hydride. Furthermore, the electronic density of states was highly suppressed at the Fermi energy, consistent with the prediction that tetragonal distortion induces metal to insulation transition.

  9. Synthesis of 2H-indazoles by the [3 + 2] cycloaddition of arynes and sydnones.

    Science.gov (United States)

    Wu, Chunrui; Fang, Yuesi; Larock, Richard C; Shi, Feng

    2010-05-21

    A rapid and efficient synthesis of 2H-indazoles has been developed, which involves the [3 + 2] dipolar cycloaddition of arynes and sydnones. The process proceeds under mild reaction conditions in good to excellent yields.

  10. Constraints on the δ2H diffusion rate in firn from field measurements at Summit, Greenland

    Directory of Open Access Journals (Sweden)

    L. G. van der Wel

    2015-02-01

    Full Text Available We performed detailed 2H isotope diffusion measurements in the upper 3 m of firn at Summit, Greenland. Using a small snow gun, a thin snow layer was formed from 2H-enriched water over a 6 m × 6 m area. We followed the diffusion process, quantified as the increase of the δ2H diffusion length, over a four years period, by retrieving the layer once per year by drilling a firn core and slicing it into 1 cm layers and measuring the δ2H-signal of these layers. We compared our experimental findings to calculations based on the model by Johnsen et al. (2000, and found substantial differences. The diffusion length in our experiments increased much less over the years than in the model. We discuss the possible causes for this discrepancy, and conclude that several aspects of the diffusion process in firn are still poorly constrained, in particular the tortuosity.

  11. Rings of C2H in the Molecular Disks Orbiting TW Hya and V4046 Sgr

    CERN Document Server

    Kastner, J H; Gorti, U; Hily-Blant, P; Oberg, K; Forveille, T; Andrews, S; Wilner, D

    2015-01-01

    We have used the Submillimeter Array to image, at ~1" resolution, C2H(3-2) emission from the molecule-rich circumstellar disks orbiting the nearby, classical T Tauri star systems TW Hya and V4046 Sgr. The SMA imaging reveals that the C2H emission exhibits a ring-like morphology within each disk, the inner hole radius of the C2H ring within the V4046 Sgr disk (~70 AU) is somewhat larger than than of its counterpart within the TW Hya disk (~45 AU). We suggest that, in each case, the C2H emission likely traces irradiation of the tenuous surface layers of the outer disks by high-energy photons from the central stars.

  12. Orientational order in the stable buckminster fullerene solvate C60·2CBr2H2

    Science.gov (United States)

    Ye, J.; Barrio, M.; Negrier, Ph.; Qureshi, N.; Rietveld, I. B.; Céolin, R.; Tamarit, J. Ll.

    2017-04-01

    Crystals of the solvate C60·2CBr2H2 (monoclinic C2/ m), which is stable in air, were grown by slow evaporation of solutions of C60 in CBr2H2 at room temperature. The high enthalpy change for the complete desolvation process, 54.9 kJ mol-1 of solvent, as well as the relatively large negative excess volume of -49.6 Å3 indicate the presence of strong intermolecular interactions between C60 and CBr2H2. The strong intermolecular interactions are consistent with an overall orientational order for the C60 and the CBr2H2 molecules in the solvate as found by the Rietveld refinement of its crystal structure.

  13. Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase

    Science.gov (United States)

    Myllykoski, Matti; Kursula, Petri

    2017-01-01

    The 2H phosphoesterase family contains enzymes with two His-X-Ser/Thr motifs in the active site. 2H enzymes are found in all kingdoms of life, sharing little sequence identity despite the conserved overall fold and active site. For many 2H enzymes, the physiological function is unknown. Here, we studied the structure of the 2H family member LigT from Escherichia coli both in the apo form and complexed with different active-site ligands, including ATP, 2′-AMP, 3′-AMP, phosphate, and NADP+. Comparisons to the well-characterized vertebrate myelin enzyme 2′,3′-cyclic nucleotide 3′-phosphodiesterase (CNPase) highlight specific features of the catalytic cycle and substrate recognition in both enzymes. The role played by the helix α7, unique to CNPases within the 2H family, is apparently taken over by Arg130 in the bacterial enzyme. Other residues and loops lining the active site groove are likely to be important for RNA substrate binding. We visualized conformational changes related to ligand binding, as well as the position of the nucleophilic water molecule. We also present a low-resolution model of E. coli LigT bound to tRNA in solution, and provide a model for RNA binding by LigT, involving flexible loops lining the active site cavity. Taken together, our results both aid in understanding the common features of 2H family enzymes and help highlight the distinct features in the 2H family members, which must result in different reaction mechanisms. Unique aspects in different 2H family members can be observed in ligand recognition and binding, and in the coordination of the nucleophilic water molecule and the reactive phosphate moiety. PMID:28141848

  14. Recent advances in the chemistry of SmI(2)-H(2)O.

    Science.gov (United States)

    Sautier, Brice; Procter, David J

    2012-01-01

    Recent work from our laboratories has shown SmI(2)-H(2)O to be a versatile, readily-accessible and non-toxic reductant that is more powerful than SmI(2). This review describes the reduction of functional groups that were previously thought to lie beyond the reach of SmI(2) and complexity-generating cyclisations and cyclisation cascades triggered by the reduction of the ester carbonyl group with SmI(2)-H(2)O.

  15. Synthesis of a library of 2-alkyl-3-alkyloxy-2H-indazole-6-carboxamides.

    Science.gov (United States)

    Mills, Aaron D; Maloney, Patrick; Hassanein, Elsayed; Haddadin, Makhluf J; Kurth, Mark J

    2007-01-01

    A library of 200 2-alkyl-3-alkyloxy-2H-indazole-6-carboxamides was synthesized using parallel solution-phase methods. The indazole cyclization reaction was optimized for library production with the best yields resulting from controlled alcohol/water solvent ratios. The key step, a heterocyclization reaction, proceeds by N,N-bond formation and delivers the 2H-indazole scaffold. Automated preparative HPLC was utilized to provide pure compounds on a 10+ mg scale.

  16. Davis–Beirut Reaction: Route to Thiazolo-, Thiazino-, and Thiazepino-2H-indazoles

    OpenAIRE

    Farber, Kelli M.; Haddadin, Makhluf J; Kurth, Mark J.

    2014-01-01

    Methods for the construction of thiazolo-, thiazino-, and thiazepino-2H-indazoles from o-nitrobenzaldehydes or o-nitrobenzyl bromides and S-trityl-protected 1°-aminothioalkanes are reported. The process consists of formation of the requisite N-(2-nitrobenzyl)(tritylthio)alkylamine, subsequent deprotection of the trityl moiety with TFA, and immediate treatment with aq. KOH in methanol under Davis–Beirut reaction conditions to deliver the target thiazolo-, thiazino-, or thiazepino-2H-indazole i...

  17. Quasi-elastic scattering, RPA, 2p2h and neutrino--energy reconstruction

    CERN Document Server

    Nieves, J; Sanchez, F; Vacas, M J Vicente

    2013-01-01

    We discuss some nuclear effects, RPA correlations and 2p2h (multinucleon) mechanisms, on charged-current neutrino-nucleus reactions that do not produce a pion in the final state. We study a wide range of neutrino energies, from few hundreds of MeV up to 10 GeV. We also examine the influence of 2p2h mechanisms on the neutrino energy reconstruction.

  18. High-resolution absorption cross sections of C$_{2}$H$_{6}$ at elevated temperatures

    OpenAIRE

    2015-01-01

    Infrared absorption cross sections near 3.3 $\\mu$m have been obtained for ethane, C$_{2}$H$_{6}$. These were acquired at elevated temperatures (up to 773 K) using a Fourier transform infrared spectrometer and tube furnace with a resolution of 0.005 cm$^{-1}$. The integrated absorption was calibrated using composite infrared spectra taken from the Pacific Northwest National Laboratory (PNNL). These new measurements are the first high-resolution infrared C$_{2}$H$_{6}$ cross sections at elevate...

  19. Analysis of dissolved C2H2 in transformer oils using laser Raman spectroscopy.

    Science.gov (United States)

    Somekawa, Toshihiro; Kasaoka, Makoto; Kawachi, Fumio; Nagano, Yoshitomo; Fujita, Masayuki; Izawa, Yasukazu

    2013-04-01

    We have developed a laser Raman spectroscopy technique for assessing the working conditions of transformers by measuring dissolved C2H2 gas concentrations present in transformer oils. A frequency doubled Q-switched Nd:YAG laser (532 nm) was used as a laser source, and Raman signals at ~1972 cm(-1) originating from C2H2 gas dissolved in oil were detected. The results show that laser Raman spectroscopy is a useful alternative method for detecting transformer faults.

  20. Synthesis of polyhydroxylated 2H-azirines and 2-halo-2H-azirines from 3-azido-2,3-dideoxyhexopyranoses by alkoxyl radical fragmentation.

    Science.gov (United States)

    Alonso-Cruz, Carmen R; Kennedy, Alan R; Rodríguez, María S; Suárez, Ernesto

    2008-06-06

    The reaction of 3-azido-2,3-dideoxypyranose and 3-azido-2,3-dideoxy-2-halohexopyranose compounds with (diacetoxyiodo)benzene and iodine generated 2-azido-1,2-dideoxy-1-iodoalditols and 2-azido-1,2-dideoxy-1-halo-1-iodoalditols, respectively. These beta-iodo azides could be transformed by chemoselective dehydroiodination into 2-azido-1,2-dideoxy-4- O-formyl-pent-1-enitols and (Z, E)-2-azido-1,2-dideoxy-1-halo-4- O-formyl-pent-1-enitols in good yields. Thermolysis and photochemical studies of these vinyl azides and 1-halovinyl azides for the synthesis of polyhydroxylated 3-alkyl-2 H-azirines and the hitherto unknown 2-halo-3-alkyl-2 H-azirines have also been accomplished.

  1. One-step fabrication of nickel nanocones by electrodeposition using CaCl2·2H2O as capping reagent

    Science.gov (United States)

    Lee, Jae Min; Jung, Kyung Kuk; Lee, Sung Ho; Ko, Jong Soo

    2016-04-01

    In this research, a method for the fabrication of nickel nanocones through the addition of CaCl2·2H2O to an electrodeposition solution was proposed. When electrodeposition was performed after CaCl2·2H2O addition, precipitation of the Ni ions onto the (2 0 0) crystal face was suppressed and anisotropic growth of the nickel electrodeposited structures was promoted. Sharper nanocones were produced with increasing concentration of CaCl2·2H2O added to the solution. Moreover, when temperature of the electrodeposition solutions approached 60 °C, the apex angle of the nanostructures decreased. In addition, the nanocones produced were applied to superhydrophobic surface modification using a plasma-polymerized fluorocarbon (PPFC) coating. When the solution temperature was maintained at 60 °C and the concentration of the added CaCl2·2H2O was 1.2 M or higher, the fabricated samples showed superhydrophobic surface properties. The proposed nickel nanocone formation method can be applied to various industrial fields that require metal nanocones, including superhydrophobic surface modification.

  2. Feedback Neural Network Power Transformer Fault Diagnosis Based on Classification of Fault Feature Gases and C2H2/C2H4 Ratio%基于故障特征气体与C2H2/C2H4比值分类的反馈型神经网络电力变压器故障诊断

    Institute of Scientific and Technical Information of China (English)

    黄祥柠; 马腾; 苏骏

    2014-01-01

    分析了五种特征气体及C2H2/C2H4的比值与变压器故障类型之间的关系,将变压器故障进行分类.依据C2H2/C2H4的比值将故障分为两类,第一类包含低温过热、中温过热、高温过热和局部放电,第二类包含低能放电、高能放电两类,并将C2H2/C2H4的比值过高的诊断为高能放电.再依据氢气对五种特征气体的百分比,从第一类中区分出局部放电.最后用反馈型神经网络中的Elman网络确定具体故障类型.

  3. C2H4 adsorption on Cu(210), revisited: bonding nature and coverage effects.

    Science.gov (United States)

    Amino, Shuichi; Arguelles, Elvis; Agerico Diño, Wilson; Okada, Michio; Kasai, Hideaki

    2016-08-24

    With the aid of density functional theory (DFT)-based calculations, we investigate the adsorption of C2H4 on Cu(210). We found two C2H4 adsorption sites, viz., the top of the step-edge atom (S) and the long bridge between two step-edge atoms (SS) of Cu(210). The step-edge atoms on Cu(210) block the otherwise active terrace sites found on copper surfaces with longer step sizes. This results in the preference for π-bonded over di-σ-bonded C2H4. We also found two stable C2H4 adsorption orientations on the S- and SS-sites, viz., with the C2H4 C[double bond, length as m-dash]C bond parallel (fit) and perpendicular (cross) to [001]. Furthermore, we found that the three peaks observed in previous temperature programmed desorption (TPD) experiment [Surf. Sci., 2011, 605, 934-940] could be attributed to C2H4 in the S-fit or S-cross, S-fit and S-cross-fit (S-cross and S-fit configurations that both exist in the same unit cell) configurations on Cu(210).

  4. REASSESSMENT OF THE DISSOCIATIVE RECOMBINATION OF N{sub 2}H{sup +} AT CRYRING

    Energy Technology Data Exchange (ETDEWEB)

    Vigren, E.; Zhaunerchyk, V.; Hamberg, M.; Af Ugglas, M.; Larsson, M.; Thomas, R. D.; Geppert, W. D. [Department of Physics, AlbaNova, Stockholm University, SE-10691 Stockholm (Sweden); Kaminska, M.; Semaniak, J., E-mail: erivig@fysik.su.se [Institute of Physics, Jan Kochanowski University, Swietokrzyska 15, PL-25406 Kielce (Poland)

    2012-09-20

    The dissociative recombination (DR) of N{sub 2}H{sup +} has been reinvestigated at the heavy ion storage ring CRYRING at the Manne Siegbahn Laboratory in Stockholm, Sweden. Thermal rate coefficients for electron temperatures between 10 and 1000 K have been deduced. We show that electron recombination is expected to play an approximately equally important role as CO in the removal of N{sub 2}H{sup +} in dark interstellar clouds. We note that a deeper knowledge on the influence of the ions' rotational temperature in the DR of N{sub 2}H{sup +} would be helpful to set further constraints on the relative importance of the different destruction mechanisms for N{sub 2}H{sup +} in these environments. The branching fractions in the DR of N{sub 2}H{sup +} have been reinvestigated at {approx}0 eV relative kinetic energy, showing a strong dominance of the N{sub 2} + H production channel (93{sup +4}{sub -2}%) with the rest leading to NH + N. These results are in good agreement with flowing afterglow experiments and in disagreement with an earlier measurement at CRYRING.

  5. Resolved Depletion Zones and Spatial Differentiation of N2H+ and N2D+

    CERN Document Server

    Tobin, John J; Hartmann, Lee; Lee, Jeong-Eun; Maret, Sebastien; Myers, Phillip C; Looney, Leslie W; Chiang, Hsin-Fang; Friesen, Rachel

    2013-01-01

    We present a study on the spatial distribution of N2D+ and N2H+ in thirteen protostellar systems. Eight of thirteen objects observed with the IRAM 30m telescope show relative offsets between the peak N2D+ (J=2-1) and N2H+ (J=1-0) emission. We highlight the case of L1157 using interferometric observations from the Submillimeter Array and Plateau de Bure Interferometer of the N2D+ (J=3-2) and N2H+ (J=1-0) transitions respectively. Depletion of N2D+ in L1157 is clearly observed inside a radius of ~2000 AU (7") and the N2H+ emission is resolved into two peaks at radii of ~1000 AU (3.5"), inside the depletion region of N2D+. Chemical models predict a depletion zone in N2H+ and N2D+ due to destruction of H2D+ at T ~ 20 K and the evaporation of CO off dust grains at the same temperature. However, the abundance offsets of 1000 AU between the two species are not reproduced by chemical models, including a model that follows the infall of the protostellar envelope. The average abundance ratios of N2D+ to N2H+ have been ...

  6. Robustness of N2H+ as tracer of the CO snowline

    CERN Document Server

    Hoff, Merel L R van 't; Kama, Mihkel; Facchini, Stefano; van Dishoeck, Ewine F

    2016-01-01

    [Abridged] Snowlines in protoplanetary disks play an important role in planet formation and composition. Since the CO snowline is difficult to observe directly with CO emission, its location has been inferred in several disks from spatially resolved ALMA observations of DCO+ and N2H+. N2H+ is considered to be a good tracer of the CO snowline based on astrochemical considerations predicting an anti-correlation between N2H+ and gas-phase CO. In this work, the robustness of N2H+ as a tracer of the CO snowline is investigated. A simple chemical network is used in combination with the radiative transfer code LIME to model the N2H+ distribution and corresponding emission in the disk around TW Hya. The assumed CO and N2 abundances, corresponding binding energies, cosmic ray ionization rate, and degree of large-grain settling are varied to determine the effects on the N2H+ emission and its relation to the CO snowline. For the adopted physical structure of the TW Hya disk and molecular binding energies for pure ices, ...

  7. delta(13)C and delta(2)H isotope ratios in amphetamine synthesized from benzaldehyde and nitroethane.

    Science.gov (United States)

    Collins, Michael; Salouros, Helen; Cawley, Adam T; Robertson, James; Heagney, Aaron C; Arenas-Queralt, Andrea

    2010-06-15

    Previous work in these laboratories and by Butzenlechner et al. and Culp et al. has demonstrated that the delta(2)H isotope value of industrial benzaldehyde produced by the catalytic oxidation of toluene is profoundly positive, usually in the range +300 per thousand to +500 per thousand. Synthetic routes leading to amphetamine, methylamphetamine or their precursors and commencing with such benzaldehyde may be expected to exhibit unusually positive delta(2)H values. Results are presented for delta(13)C and delta(2)H isotope values of 1-phenyl-2-nitropropene synthesized from an industrial source of benzaldehyde, having a positive delta(2)H isotope value, by a Knoevenagel condensation with nitroethane. Results are also presented for delta(13)C and delta(2)H isotope values for amphetamine prepared from the resulting 1-phenyl-2-nitropropene. The values obtained were compared with delta(13)C and delta(2)H isotope values obtained for an amphetamine sample prepared using a synthetic route that did not involve benzaldehyde. Finally, results are presented for samples of benzaldehyde, 1-phenyl-2-nitropropene and amphetamine that had been seized at a clandestine amphetamine laboratory.

  8. Laboratory studies of 2H evaporator scale dissolution in dilute nitric acid

    Energy Technology Data Exchange (ETDEWEB)

    Oji, L.

    2014-09-23

    The rate of 2H evaporator scale solids dissolution in dilute nitric acid has been experimentally evaluated under laboratory conditions in the SRNL shielded cells. The 2H scale sample used for the dissolution study came from the bottom of the evaporator cone section and the wall section of the evaporator cone. The accumulation rate of aluminum and silicon, assumed to be the two principal elemental constituents of the 2H evaporator scale aluminosilicate mineral, were monitored in solution. Aluminum and silicon concentration changes, with heating time at a constant oven temperature of 90 deg C, were used to ascertain the extent of dissolution of the 2H evaporator scale mineral. The 2H evaporator scale solids, assumed to be composed of mostly aluminosilicate mineral, readily dissolves in 1.5 and 1.25 M dilute nitric acid solutions yielding principal elemental components of aluminum and silicon in solution. The 2H scale dissolution rate constant, based on aluminum accumulation in 1.5 and 1.25 M dilute nitric acid solution are, respectively, 9.21E-04 ± 6.39E-04 min{sup -1} and 1.07E-03 ± 7.51E-05 min{sup -1}. Silicon accumulation rate in solution does track the aluminum accumulation profile during the first few minutes of scale dissolution. It however diverges towards the end of the scale dissolution. This divergence therefore means the aluminum-to-silicon ratio in the first phase of the scale dissolution (non-steady state conditions) is different from the ratio towards the end of the scale dissolution. Possible causes of this change in silicon accumulation in solution as the scale dissolution progresses may include silicon precipitation from solution or the 2H evaporator scale is a heterogeneous mixture of aluminosilicate minerals with several impurities. The average half-life for the decomposition of the 2H evaporator scale mineral in 1.5 M nitric acid is 12.5 hours, while the half-life for the decomposition of the 2H evaporator scale in 1.25 M nitric acid is 10

  9. HbA1c, fasting and 2 h plasma glucose in current, ex- and never-smokers

    DEFF Research Database (Denmark)

    Soulimane, Soraya; Simon, Dominique; Herman, William H

    2014-01-01

    without known diabetes in 12 DETECT-2 consortium studies and in the French Data from an Epidemiological Study on the Insulin Resistance Syndrome (DESIR) and Telecom studies. Means of three glycaemic variables in current, ex- and never-smokers were modelled by linear regression, with study as a random...

  10. C2H, HC3N and HNC Observations in OMC-2/3

    CERN Document Server

    Liu, Qiang; Sun, Yan; Xu, Ye

    2011-01-01

    For the first time, the OMC-2/3 region was mapped in C2H(1-0), HC3N(10-9) and HNC(1-0) lines. In general, the emissions from all the three molecular species reveal an extended filamentary structure. The distribution of C2H cores almost follows that of the 1300 $\\mu$m condensations, which might suggest that C2H is a good tracer to study the core structure of molecular clouds. The core masses traced by HNC are rather flat, ranging from 18.8 to 49.5 $M_{\\odot}$, while present a large span for those from C2H, ranging from 6.4 to 36.0 $M_{\\odot}$. The line widths of both HNC and C2H look very similar, and both are wider than that of HC3N. The line widths of the three lines are all wider than those from dark clouds, implying that the former is more active than the latter, and has larger turbulence caused by winds and UV radiation from the surrounding massive stars.

  11. Isolation and purification of BVⅠ-2H from bee venom and analysis of its biological action

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The medical use of bee venom for rheumatoid arthritis ( RA ) has a very long tradition. In this study, isolation and purification of polypeptides from bee venom were carried out on sephadex chromatography, heparin sepharose CL-6B chromatography and HPLC. Several fractions were extracted, and their effects on activation of splenocyte and THP-1 cell were studied. The inhibitory fraction was selected for further studies. Finally, BVⅠ-2H that the HPLC elution profiles was a single peak was isolated by C8 column. ESI- MS detection results showed that BVⅠ-2H was a fraction of bee venom, and the molecular weight of the major component was 644.8. BVⅠ-2H could inhibit ConA-induced splenocyte proliferation, IL-1 production and interfere with splenocyte cycle in mice. Moreover, BVⅠ-2H could inhibit PMA-induced TNFα production in THP-1 cells, which was due to its inhibitory effects on TNFα mRNA expression and protein phosphorylation of IκBα. Our studies indicated that BVⅠ-2H was one of the anti-inflammatory components of bee venom.

  12. Tunable electronic behavior in 3d transition metal doped 2H-WSe2

    Science.gov (United States)

    Liu, Shuai; Huang, Songlei; Li, Hongping; Zhang, Quan; Li, Changsheng; Liu, Xiaojuan; Meng, Jian; Tian, Yi

    2017-03-01

    Structural and electronic properties of 3d transition metal Sc, Ti, Cr and Mn incorporated 2H-WSe2 have been systematically investigated by first-principles calculations based on density functional theory. The calculated formation energies reveal that all the doped systems are thermodynamically more favorable under Se-rich condition than W-rich condition. The geometry structures almost hold that of the pristine 2H-WSe2 albeit with slight lattice distortion. More importantly, the electronic properties have been significantly tuned by the dopants, i.e., metal and semimetal behavior has been found in Sc, Ti and Mn-doped 2H-WSe2, respectively, semiconducting nature with narrowed band gap is expected in Cr-doped case, just as that of the pristine 2H-WSe2. In particular, magnetic character is realized by incorporation of Mn impurity with a total magnetic moment of 0.96 μB. Our results suggest chemical doping is an effective way to precisely tailor the electronic structure of layered transition metal dichalcogenide 2H-WSe2 for target technological applications.

  13. Tunneling magnetoresistance of C{sub 2}H{sub 2} molecules sandwiched between Co clusters

    Energy Technology Data Exchange (ETDEWEB)

    Zare-Kolsaraki, H. E-mail: kolsarak@ph2.uni-koeln.de; Micklitz, H

    2004-09-01

    The tunneling magnetoresistance (TMR) of samples containing well-defined Co clusters ({approx}4.5 nm mean diameter) embedded in C{sub 2}H{sub 2} matrices essentially is independent of Co-cluster volume fraction v{sub Co} and reveals a value of about 26% at T=2 K. This result is in contrast to that obtained for Co clusters embedded in C{sub 2}H{sub 4} matrices (Phys. Rev. B 67 (2003) 094433). In the latter system the TMR strongly decreased with increasing v{sub Co} indicating different possible orientation of the C{sub 2}H{sub 4} molecule sandwiched between the Co clusters. We, therefore, conclude that the C{sub 2}H{sub 2} molecules are sandwiched in a rather well-defined orientation between the Co clusters. They probably form double layers of C{sub 2}H{sub 2} molecules with the C-C bond axis parallel to the Co cluster surface.

  14. Imidacloprid inhibits IgE-mediated RBL-2H3 cell degranulation and passive cutaneous anaphylaxis

    Science.gov (United States)

    Shi, Linbo; Zou, Li; Gao, Jinyan; Xu, Huaing; Shi, Xiaoyun

    2016-01-01

    Background Imidacloprid has been commonly used as a pesticide for crop protection and acts as nicotinic acetylcholine receptor agonists. Little information about the relationship between imidacloprid and allergy is available. Objective This study aims to examine the effects of imidacoprid on IgE-mediated mast cell activation. Methods The rat basophilic leukemia cell line RBL-2H3 (RBL-2H3 cells) were treated with 10-3 – 10-12 mol/L imidacloprid, followed by measuring the mediator production, influx of Ca2+ in IgE-activated RBL-2H3 cells, and the possible effects of imidacoprid on anti-dinitrophenyl IgE-induced passive cutaneous anaphylaxis (PCA). Results It was shown that imidacoprid suppressed the production of histamine, β-hexosaminidase, leukotriene C4, interleukin-6, tumor necrosis factor-α, and Ca2+ mobilization in IgE-activated RBL-2H3 cells and decreased vascular extravasation in IgE-induced PCA. Conclusion It is the first time to show that imidacloprid suppressed the activation of RBL-2H3 cells. PMID:27803884

  15. Synthesis, spectral characterization and larvicidal activity of acridin-1(2H)-one analogues

    Science.gov (United States)

    Subashini, R.; Bharathi, A.; Roopan, Selvaraj Mohana; Rajakumar, G.; Abdul Rahuman, A.; Gullanki, Pavan Kumar

    Acridin-1(2H)-one analogue of 7-chloro-3,4-dihydro-9-phenyl-2-[(pyridine-2yl) methylene] acridin-1(2H)-one, 5 was prepared by using 7-chloro-3,4-dihydro-9-phenylacridin-1(2H)-one, 3 and picolinaldehyde, 4 in the presence of KOH at room temperature. These compounds were characterized by analytical and spectral analyses. The purpose of the present study was to assess the efficacy of larvicidal and repellent activity of synthesized 7-chloro-3,4-dihydro-9-phenyl-acridin-1(2H)-one analogues such as compounds 3 and 5 against the early fourth instar larvae of filariasis vector, Culex quinquefasciatus and Japanese encephalitis vector, Culex gelidus (Diptera: Culicidae). The compound exhibited high larvicidal effects at 50 mg/L against both the mosquitoes with LC50 values of 25.02 mg/L (r2 = 0.998) and 26.40 mg/L (r2 = 0.988) against C. quinquefasciatus and C. gelidus, respectively. The 7-chloro-3,4-dihydro-9-phenyl-acridin-1(2H)-one analogues that are reported for the first time to our best of knowledge can be better explored for the control of mosquito population. This is an ideal ecofriendly approach for the control of Japanese encephalitis vectors, C. quinquefasciatus and C. gelidus.

  16. C2H, HC3N and HNC observations in OMC-2/3 *

    Institute of Scientific and Technical Information of China (English)

    Qiang Liu; Ji Yang; Yan Sun; Ye Xu

    2011-01-01

    For the first time, the OMC-2/3 region was mapped in C2H (1-0), HC3N (10-9) and HNC (1-0) lines. In general, the emissions from all the three molecular species reveal an extended filamentary structure. The distribution of C2H cores almost follows that of the 1300 μtm condensations, which might suggest that C2H is a good tracer to study the core structure of molecular clouds. The core masses traced by HNC are rather fiat, ranging from 18.8 to 49.5 M⊙, while also presenting a large span for those from C2H, ranging from 6.4 to 36.0 M⊙. The line widths of both HNC and C2H look very similar, and both are wider than that of HC3N. The line widths of the three lines are all wider than those from dark clouds, implying that the former is more active than the latter, and has larger turbulence caused by winds and UV radiation from the surrounding massive stars.

  17. Plasma turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Horton, W. [Univ. of Texas, Austin, TX (United States). Inst. for Fusion Studies; Hu, G. [Globalstar LP, San Jose, CA (United States)

    1998-07-01

    The origin of plasma turbulence from currents and spatial gradients in plasmas is described and shown to lead to the dominant transport mechanism in many plasma regimes. A wide variety of turbulent transport mechanism exists in plasmas. In this survey the authors summarize some of the universally observed plasma transport rates.

  18. Natural 4-Hydroxy-2,5-dimethyl-3(2H-furanone (Furaneol®

    Directory of Open Access Journals (Sweden)

    Wilfried Schwab

    2013-06-01

    Full Text Available 4-Hydroxy-2,5-dimethyl-3(2H-furanone (HDMF, furaneol® and its methyl ether 2,5-dimethyl-4-methoxy-3(2H-furanone (DMMF are import aroma chemicals and are considered key flavor compounds in many fruit. Due to their attractive sensory properties they are highly appreciated by the food industry. In fruits 2,5-dimethyl-3(2H-furanones are synthesized by a series of enzymatic steps whereas HDMF is also a product of the Maillard reaction. Numerous methods for the synthetic preparation of these compounds have been published and are applied by industry, but for the development of a biotechnological process the knowledge and availability of biosynthetic enzymes are required. During the last years substantial progress has been made in the elucidation of the biological pathway leading to HDMF and DMMF. This review summarizes the latest advances in this field.

  19. Analysis Of 2H-Evaporator Scale Pot Bottom Sample [HTF-13-11-28H

    Energy Technology Data Exchange (ETDEWEB)

    Oji, L. N.

    2013-07-15

    Savannah River Remediation (SRR) is planning to remove a buildup of sodium aluminosilicate scale from the 2H-evaporator pot by loading and soaking the pot with heated 1.5 M nitric acid solution. Sampling and analysis of the scale material from the 2H evaporator has been performed so that the evaporator can be chemically cleaned beginning July of 2013. Historically, since the operation of the Defense Waste Processing Facility (DWPF), silicon in the DWPF recycle stream combines with aluminum in the typical tank farm supernate to form sodium aluminosilicate scale mineral deposits in the 2H-evaporator pot and gravity drain line. The 2H-evaporator scale samples analyzed by Savannah River National Laboratory (SRNL) came from the bottom cone sections of the 2H-evaporator pot. The sample holder from the 2H-evaporator wall was virtually empty and was not included in the analysis. It is worth noting that after the delivery of these 2H-evaporator scale samples to SRNL for the analyses, the plant customer determined that the 2H evaporator could be operated for additional period prior to requiring cleaning. Therefore, there was no need for expedited sample analysis as was presented in the Technical Task Request. However, a second set of 2H evaporator scale samples were expected in May of 2013, which would need expedited sample analysis. X-ray diffraction analysis (XRD) confirmed the bottom cone section sample from the 2H-evaporator pot consisted of nitrated cancrinite, (a crystalline sodium aluminosilicate solid), clarkeite and uranium oxide. There were also mercury compound XRD peaks which could not be matched and further X-ray fluorescence (XRF) analysis of the sample confirmed the existence of elemental mercury or mercuric oxide. On ''as received'' basis, the scale contained an average of 7.09E+00 wt % total uranium (n = 3; st.dev. = 8.31E-01 wt %) with a U-235 enrichment of 5.80E-01 % (n = 3; st.dev. = 3.96E-02 %). The measured U-238 concentration was 7

  20. A one-pot-three-step route to triazolotriazepinoindazolones from oxazolino-2H-indazoles.

    Science.gov (United States)

    Conrad, Wayne E; Rodriguez, Kevin X; Nguyen, Huy H; Fettinger, James C; Haddadin, Makhluf J; Kurth, Mark J

    2012-08-03

    A one-pot-three-step method has been developed for the conversion of oxazolino-2H-indazoles into triazolotriazepinoindazolones with three points of diversity. Step one of this process involves a propargyl bromide-initiated ring opening of the oxazolino-2H-indazole (available by the Davis-Beirut reaction) to give an N(1)-(propargyl)-N(2)-(2-bromoethyl)-disubstituted indazolone, which then undergoes -CH(2)Br → -CH(2)N(3) displacement (step two) followed by an uncatalyzed intramolecular azide-alkyne 1,3-dipolar cycloaddition (step three) to form the target heterocycle. Employing 7-bromooxazolino-2H-indazole allows for further diversification through, for example, palladium-catalyzed coupling chemistry, as reported here.

  1. A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.

    Science.gov (United States)

    Picado, Alfredo; Li, ShengJian; Dieter, R Karl

    2016-02-19

    (Z) Enol triflates 6, 11b-d, (E) enol triflate 11e, and phenol triflate 11a, derived from β-keto esters or 2-carboalkoxy phenols, respectively, react with N-Boc 2-lithiopyrrolidine (5a), N-Boc N-methylaminomethyllithium (5b), or 2-lithio-1,3-dithiane (14) to afford 3(2H)-furanones in modest to good yields (38-81%). Product and carbanion reagent studies suggest that the 3(2H)-furanone is formed in a cascade of reactions involving nucleophilic acyl substitution, enolate formation, trifluoromethyl transfer, iminium or sulfenium ion formation, and subsequent ring closure to form the 3(2H)-furanone. The use of 2-lithio-1,3-dithiane affords a cyclic α-keto-S,S,O-orthoester in which the functionality can be selectively manipulated for synthetic applications.

  2. An empirical solvus for CO 2-H 2O-2.6 wt% salt

    Science.gov (United States)

    Hendel, Eva Marie; Hollister, Lincoln S.

    1981-02-01

    The solvus in the system CO 2-H 2O-2.6 wt% NaCl-equivalent was determined by measuring temperature of homogenization in fluid inclusions which contained variable CO 2/H 2O but the same amount of salt dissolved in the aqueous phase at room temperature. The critical point of the solvus is at 340 ± 5° C, at pressures between 1 and 2 kbar; this is about 65°C higher than for the pure CO 2-H 2O system. The solvus is assymetrical, with a steeper H 2O-rich limb and with the critical point at mole fraction of water between 0.65 and 0.8.

  3. The 2p-2h electromagnetic response in the quasielastic peak and beyond

    Energy Technology Data Exchange (ETDEWEB)

    De Pace, A. E-mail: depace@to.infn.it; Nardi, M.; Alberico, W.M.; Donnelly, T.W.; Molinari, A

    2003-10-20

    The contribution to the nuclear transverse response function R{sub T} arising from two particle-two hole (2p-2h) states excited through the action of electromagnetic meson exchange currents (MEC) is computed in a fully relativistic framework. The MEC considered are those carried by the pion and by {delta} degrees of freedom, the latter being viewed as a virtual nucleonic resonance. The calculation is performed in the relativistic Fermi gas model in which Lorentz covariance can be maintained. All 2p-2h many-body diagrams containing two pionic lines that contribute to R{sub T} are taken into account and the relative impact of the various components of the MEC on R{sub T} is addressed. The non-relativistic limit of the MEC contributions is also discussed and compared with the relativistic results to explore the role played by relativity in obtaining the 2p-2h nuclear response.

  4. Change of plasma visfatin level in the population with different glucose tolerances

    Institute of Scientific and Technical Information of China (English)

    杨媚

    2006-01-01

    Objective To investigate the change of plasma visfatin level and the relationship of plasma visfatin level to body mass index (BMI) , waist hip ratio (WHR) , blood glucose, plasma insulin levels as well as other factors in the subjects with different glucose tolerances. Methods Fasting and glucose loading 2 h plasma visfatin levels were assayed by ELISA in patients with type 2 diabetes

  5. Complementary low energy ion scattering and X-ray photoelectron spectroscopy characterization of polystyrene submitted to N{sub 2}/H{sub 2} glow discharge

    Energy Technology Data Exchange (ETDEWEB)

    Bonatto, F., E-mail: bonatto02@yahoo.com.br [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil); Rovani, S. [Universidade de Caxias do Sul, Caxias do Sul, Rio Grande do Sul 95070-560 (Brazil); Kaufmann, I.R.; Soares, G.V. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil); Baumvol, I.J.R. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil); Universidade de Caxias do Sul, Caxias do Sul, Rio Grande do Sul 95070-560 (Brazil); Krug, C. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul 91509-900 (Brazil)

    2012-02-15

    Low energy ion scattering (LEIS) and X-ray photoelectron spectroscopy (XPS) were used to access the elemental composition and chemical bonding characteristics of polystyrene (PS) surfaces sequentially treated by corona and glow discharge (plasma) processing in N{sub 2}/H{sub 2} ambient. The latter has shown activity as suppressor of pathogenic Staphylococcus epidermidis biofilms. LEIS indicated that oxygen from the corona discharge process is progressively replaced by nitrogen at the PS surface. XPS shows C=N and N-C=O chemical groups as significant inhibitors of bacterial adhesion, suggesting application in medical devices.

  6. Calculation of the Aluminosilicate Half-Life Formation Time in the 2H Evaporator

    Energy Technology Data Exchange (ETDEWEB)

    Fondeur, F.F.

    2000-09-21

    The 2H Evaporator contains large quantities of aluminosilicate solids deposited on internal fixtures. The proposed cleaning operations will dissolve the solids in nitric acid. Operations will then neutralize the waste prior to transfer to a waste tank. Combining recent calculations of heat transfer for the 2H Evaporator cleaning operations and laboratory experiments for dissolution of solid samples from the pot, the authors estimated the re-formation rate for aluminosilicates during cooling. The results indicate a half-life formation of 17 hours when evaporator solution cools from 60 degrees C and 9 hours when cooled from 90 degrees C.

  7. High-resolution absorption cross sections of C$_{2}$H$_{6}$ at elevated temperatures

    CERN Document Server

    Hargreaves, Robert J; Dulick, Michael; Bernath, Peter F

    2015-01-01

    Infrared absorption cross sections near 3.3 $\\mu$m have been obtained for ethane, C$_{2}$H$_{6}$. These were acquired at elevated temperatures (up to 773 K) using a Fourier transform infrared spectrometer and tube furnace with a resolution of 0.005 cm$^{-1}$. The integrated absorption was calibrated using composite infrared spectra taken from the Pacific Northwest National Laboratory (PNNL). These new measurements are the first high-resolution infrared C$_{2}$H$_{6}$ cross sections at elevated temperatures.

  8. (5,7-Dimethyl-2-oxo-2H-chromen-4-ylmethyl pyrrolidine-1-carbodithioate

    Directory of Open Access Journals (Sweden)

    N. M. Mahabaleshwaraiah

    2012-06-01

    Full Text Available In the title compound, C17H19NO2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.044 (2 Å, and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the 2H-chromene system and the planar part of the pyrrolidine ring is 83.65 (8°. A weak intramolecular C—H...S hydrogen bond occurs. The crystal structure features C—H...O hydrogen bonds and π–π interactions, with a centroid–centroid distance of 3.5728 (16 Å.

  9. Davis-Beirut reaction: route to thiazolo-, thiazino-, and thiazepino-2H-indazoles.

    Science.gov (United States)

    Farber, Kelli M; Haddadin, Makhluf J; Kurth, Mark J

    2014-08-01

    Methods for the construction of thiazolo-, thiazino-, and thiazepino-2H-indazoles from o-nitrobenzaldehydes or o-nitrobenzyl bromides and S-trityl-protected 1°-aminothioalkanes are reported. The process consists of formation of the requisite N-(2-nitrobenzyl)(tritylthio)alkylamine, subsequent deprotection of the trityl moiety with TFA, and immediate treatment with aq. KOH in methanol under Davis-Beirut reaction conditions to deliver the target thiazolo-, thiazino-, or thiazepino-2H-indazole in good overall yield. Subsequent S-oxidation gives the corresponding sulfone.

  10. Low-energy elastic electron scattering form chloroethane, C2H5Cl

    Science.gov (United States)

    Sakaamini, A.; Navarro, C.; Cross, J.; Hargreaves, L. R.; Khakoo, M. A.; Fedus, Kamil; Winstead, C.; McKoy, V.

    2015-10-01

    We report theoretical as well as (normalized) experimental differential and integral cross sections for vibrationally elastic scattering of low-energy electrons from chloroethane, C2H5Cl, also known as ethyl chloride. The theoretical cross sections were computed using the Schwinger multichannel variational method in the single-channel approximation, with polarization effects included via virtual excitations. Cross section measurements were made at incident energies ranging from 1 to 30 eV and at scattering angles from {10}\\circ to {125}\\circ . We compare our data to previous results for C2H5Cl and for the related molecule chloromethane.

  11. Study of the peak effect phenomenon in single crystals of 2H-NbSe2

    Indian Academy of Sciences (India)

    C V Tomy; D Pal; S S Banerjee; S Ramakrishnan; A K Grover; S Bhattacharya; M Higgins; G Balakrishnan; McK Paul

    2002-05-01

    The weakly pinned single crystals of the hexagonal 2H-NbSe2 compound have emerged as prototypes for determining and characterizing the phase boundaries of the possible order–disorder transformations in the vortex matter. We present here a status report based on the ac and dc magnetization measurements of the peak effect phenomenon in three crystals of 2H-NbSe2, in which the critical current densities vary over two orders of magnitude. We sketch the generic vortex phase diagram of a weakly pinned superconductor, which also utilizes theoretical proposals. We also establish the connection between the metastability effects and pinning.

  12. Effects of deuterium oxide on cell growth and vesicle speed in RBL-2H3 cells

    Directory of Open Access Journals (Sweden)

    Roshni S. Kalkur

    2014-09-01

    Full Text Available For the first time we show the effects of deuterium oxide on cell growth and vesicle transport in rat basophilic leukemia (RBL-2H3 cells. RBL-2H3 cells cultured with 15 moles/L deuterium showed decreased cell growth which was attributed to cells not doubling their DNA content. Experimental observations also showed an increase in vesicle speed for cells cultured in deuterium oxide. This increase in vesicle speed was not observed in deuterium oxide cultures treated with a microtubule-destabilizing drug, suggesting that deuterium oxide affects microtubule-dependent vesicle transport.

  13. 4-Methyl-2-oxo-2H-chromen-7-yl 4-methoxybenzenesulfonate

    Directory of Open Access Journals (Sweden)

    Suman Sinha

    2011-12-01

    Full Text Available In the title compound, C17H14O6S, the 2H-chromene ring is essentially planar, with a maximum deviation of 0.016 (1 Å. The dihedral angle between the 2H-chromene and the benzene rings is 54.61 (5°. The C atom of the methoxy group is close to coplanar with its attached ring [deviation = 0.082 (2 Å]. In the crystal, molecules are connected via C—H...O hydrogen bonds, forming sheets lying parallel to the bc plane. Weak C—H...π interactions are also observed.

  14. Ab initio quasiparticle energies in 2H, 4H, and 6H SiC

    Science.gov (United States)

    Ummels, R. T. M.; Bobbert, P. A.; van Haeringen, W.

    1998-09-01

    Ab initio quasiparticle energies are calculated for the 2H, 4H, and 6H polytypes of SiC within the GW approximation for the self-energy. The starting point is a calculation within the pseudopotential local-density approximation framework. The calculated fundamental gaps of 3.15, 3.35, and 3.24 eV for 2H, 4H, and 6H SiC, respectively, show very good agreement with experimental data. The energy dependence of the screened interaction is modeled by a plasmon pole model from which the plasmon band structures are obtained.

  15. Multicomponent Synthesis of 3,6-Dihydro-2H-1,3-thiazine-2-thiones

    Directory of Open Access Journals (Sweden)

    Frans J. J. de Kanter

    2012-02-01

    Full Text Available Non-fused 3,6-dihydro-2H-1,3-thiazine-2-thiones constitute a so far rather unexplored class of compounds, with the latest report dating back more than two decades. Thiazine-2-thiones contain an endocyclic dithiocarbamate group, which is often found in pesticides, in substrates for radical chemistry and in synthetic intermediates towards thioureas and amidines. We now report the multicomponent reaction (MCR of in situ-generated 1-azadienes with carbon disulfide. With this reaction, a one-step protocol towards the potentially interesting 3,6-dihydro-2H-1,3-thiazine-2-thiones was established and a small library was synthesized.

  16. Multicomponent synthesis of 3,6-dihydro-2H-1,3-thiazine-2-thiones.

    Science.gov (United States)

    Kruithof, Art; Ploeger, Marten L; Janssen, Elwin; Helliwell, Madeleine; de Kanter, Frans J J; Ruijter, Eelco; Orru, Romano V A

    2012-02-08

    Non-fused 3,6-dihydro-2H-1,3-thiazine-2-thiones constitute a so far rather unexplored class of compounds, with the latest report dating back more than two decades. Thiazine-2-thiones contain an endocyclic dithiocarbamate group, which is often found in pesticides, in substrates for radical chemistry and in synthetic intermediates towards thioureas and amidines. We now report the multicomponent reaction (MCR) of in situ-generated 1-azadienes with carbon disulfide. With this reaction, a one-step protocol towards the potentially interesting 3,6-dihydro-2H-1,3-thiazine-2-thiones was established and a small library was synthesized.

  17. Terahertz Spectroscopy of the Bending Vibrations of Acetylene 12C2H2

    Science.gov (United States)

    Yu, Shanshan; Drouin, Brian J.; Pearson, John C.

    2009-11-01

    Twenty P-branch transitions of 12C2H2 have been measured in the 0.8-1.6 THz region of its bending vibrational difference band. The accuracy of these measurements is estimated to be 100 kHz. The 12C2H2 molecules were generated under room temperature by passing 150 mTorr H2O vapor through calcium carbide (CaC2) powder. The observed transitions were modeled together with prior far-infrared data involving the bending levels with ∑\

  18. Electrowetting Performances of Novel Fluorinated Polymer Dielectric Layer Based on Poly(1H,1H,2H,2H-perfluoroctylmethacrylate Nanoemulsion

    Directory of Open Access Journals (Sweden)

    Jiaxin Hou

    2017-06-01

    Full Text Available In electrowetting devices, hydrophobic insulating layer, namely dielectric layer, is capable of reversibly switching surface wettability through applied electric field. It is critically important but limited by material defects in dielectricity, reversibility, film forming, adhesiveness, price and so on. To solve this key problem, we introduced a novel fluorinated polyacrylate—poly(1H,1H,2H,2H-perfluoroctylmethacrylate (PFMA to construct micron/submicron-scale dielectric layer via facile spray coating of nanoemulsion for replacing the most common Teflon AF series. All the results illustrated that, continuous and dense PFMA film with surface relief less than 20 nm was one-step fabricated at 110 °C, and exhibited much higher static water contact angle of 124°, contact angle variation of 42°, dielectric constant of about 2.6, and breakdown voltage of 210 V than Teflon AF 1600. Particularly, soft and highly compatible polyacrylate mainchain assigned five times much better adhesiveness than common adhesive tape, to PFMA layer. As a promising option, PFMA dielectric layer may further facilitate tremendous development of electrowetting performances and applications.

  19. Synthesis and Crystal Structure of a Cyano-bridged Bimetallic Complex [La(betaine)2(H2O)6Fe(CN)6]·2H2O

    Institute of Scientific and Technical Information of China (English)

    LIANG Shu-Hui; CHE Yun-Xia; ZHENG Ji-Min

    2005-01-01

    The title complex [La(betaine)2(H2O)6Fe(CN)6](2H2O (betaine = (CH3)3NCH2CO2) has been synthesized and characterized by X-ray single-crystal structure analysis. The crystal crystallizes in monoclinic, space group P21/n with a = 15.793(5), b = 8.927(3), c = 22.257(7) (A), β = 110.147(5)°, C16H38FeLaN8O12, Mr = 729.31, Z = 4, V = 2946.0(15) (A)3, Dc = 1.640 g/m3, μ(MoKα) = 1.988 mm-1, F(000) =1476, R = 0.0388 and wR = 0.0827 for 4237 observed reflections (I > 2σ(I)). The La3+ ion is nine-coordinated by one cyano nitrogen atom and eight oxygen atoms of two betaine and six water molecules. Each complex molecule is connected to form a 3D network structure by some O-H…O and O-H…N hydrogen bonds.

  20. The conformational dynamics of H2-H3n and S2-H6 in gating ligand entry into the buried binding cavity of vitamin D receptor

    Science.gov (United States)

    Tee, Wei-Ven; Ripen, Adiratna Mat; Mohamad, Saharuddin Bin

    2016-01-01

    Crystal structures of holo vitamin D receptor (VDR) revealed a canonical conformation in which the ligand is entrapped in a hydrophobic cavity buried in the ligand-binding domain (LBD). The mousetrap model postulates that helix 12 is positioned away from the domain to expose the interior cavity. However, the extended form of helix 12 is likely due to artifacts during crystallization. In this study, we set out to investigate conformational dynamics of apo VDR using molecular dynamics simulation on microsecond timescale. Here we show the neighboring backbones of helix 2-helix 3n and beta strand 2-helix 6 of LBD, instead of the helix 12, undergo large-scale motion, possibly gating the entrance of ligand to the ligand binding domain. Docking analysis to the simulated open structure of VDR with the estimated free energy of −37.0 kJ/mol, would emphasise the role of H2-H3n and S2-H6 in facilitating the entrance of calcitriol to the LBD of VDR. PMID:27786277

  1. Chemistry of TMC-1 with multiply deuterated species and spin chemistry of H2, H2+, H3+ and their isotopologues

    Science.gov (United States)

    Majumdar, L.; Gratier, P.; Ruaud, M.; Wakelam, V.; Vastel, C.; Sipilä, O.; Hersant, F.; Dutrey, A.; Guilloteau, S.

    2016-12-01

    Deuterated species are unique and powerful tools in astronomy since they can probe the physical conditions, chemistry, and ionization level of various astrophysical media. Recent observations of several deuterated species along with some of their spin isomeric forms have rekindled the interest for more accurate studies on deuterium fractionation. This paper presents the first publicly available chemical network of multiply deuterated species along with spin chemistry implemented on the latest state-of-the-art gas-grain chemical code `NAUTILUS'. D/H ratios for all deuterated species observed at different positions of TMC-1 are compared with the results of our model, which considers multiply deuterated species along with the spin chemistry of light hydrogen bearing species H2, H2+, H3+ and their isotopologues. We also show the differences in the modeled abundances of non-deuterated species after the inclusion of deuteration and spin chemistry in the model. Finally, we present a list of potentially observable deuterated species in TMC-1 awaiting detection.

  2. Synthesis and Structure of a Novel Compound [Cu2(EDTA)(Py)2(H2O)2]·2H2O

    Institute of Scientific and Technical Information of China (English)

    TANG Ding-Xing; ZHAO Yun

    2005-01-01

    A novel compound [Cu2(EDTA)(Py)2(H2O)2]·2H2O was synthesized by the reaction of CuSO4(5H2O with H4EDTA in pyridine/water (V/V = 1/4) solvent, and characterized by elemental analysis, IR spectrum and X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group P21/n with a = 1.26974(6), b = 0.67949(3), c = 1.48548(3) nm, β = 91.454(2)o, V = 1.28122(9) nm3, Z = 2, Dc = 1.673 g/cm3, Mr = 645.56, F(000) = 664, μ(MoKα) = 1.729 mm-1, the final R = 0.0353 and wR = 0.0832 for 1920 observed reflections (I > 2((I)). The compound is a centrosymmetric binuclear molecule with bridged EDTA group. Each Cu(II) atom is linked to two oxygen atoms and one nitrogen atom of EDTA, one oxygen atom of water and one nitrogen atom of pyridine to form a distorted square pyramidal environment. There exist face-to-face π-π stacking interactions between pyridine rings from neighboring molecule with the interplanar distance of 0.3670 nm and hydrogen bonding between EDTA and water molecules.

  3. Synthesis and Crystal Structure of Ethyl(2-amino-4-(3-nitrophenyl)-1,4-dihydro-2H-pyrano[3,2-h]quinolin-3-)carboxylate

    Institute of Scientific and Technical Information of China (English)

    王香善; 史达清; 屠树江

    2004-01-01

    The title compound ethyl(2-amino-4-(3-nitrophenyl)-1,4-dihydro-2H-pyrano[3,2-h]quinolin-3-)carboxylate (C21H17N3O5, Mr= 391.38) was synthesized and crystallized. The crystal belongs to triclinic, space group P-1 with a = 7.886(1 ), b = 9.896(2), c = 12.575(3) A, α = 77.81 (2), β= 82.69(2), γ= 73.86(2)°, Z = 2, V= 919.0(3) A3, Dc = 1.414 g/cm3,μ(MoKα) = 0.103 mm -1, F(000)= 408, R = 0.0421 and wR = 0.0973 for 2007 observed reflections (I > 2σ(I)). X-ray analysis reveals that the C(6), C(7), C(10), C(11), C(12) and O(1) atoms form a six-membered ring which adopts a boat conformation. In the ring, the bond lengths of C(6)-C(7) and C(10)-C(11) are 1.360(2) and 1.361 (2) A, respectively, indicating they are C=C double bonds.

  4. Plasma harmonics

    CERN Document Server

    Ganeev, Rashid A

    2014-01-01

    Preface; Why plasma harmonics? A very brief introduction Early stage of plasma harmonic studies - hopes and frustrations New developments in plasma harmonics studies: first successes Improvements of plasma harmonics; Theoretical basics of plasma harmonics; Basics of HHG Harmonic generation in fullerenes using few-cycle pulsesVarious approaches for description of observed peculiarities of resonant enhancement of a single harmonic in laser plasmaTwo-colour pump resonance-induced enhancement of odd and even harmonics from a tin plasmaCalculations of single harmonic generation from Mn plasma;Low-o

  5. File list: Oth.Emb.05.AllAg.1-2h_embryos [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.Emb.05.AllAg.1-2h_embryos dm3 TFs and others Embryo 1-2h embryos SRX197583,SRX1...97584 http://dbarchive.biosciencedbc.jp/kyushu-u/dm3/assembled/Oth.Emb.05.AllAg.1-2h_embryos.bed ...

  6. File list: Oth.Emb.10.AllAg.2h_embryos [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.Emb.10.AllAg.2h_embryos dm3 TFs and others Embryo 2h embryos SRX151218,SRX10955...0,SRX151219 http://dbarchive.biosciencedbc.jp/kyushu-u/dm3/assembled/Oth.Emb.10.AllAg.2h_embryos.bed ...

  7. File list: ALL.Emb.10.AllAg.2h_embryos [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available ALL.Emb.10.AllAg.2h_embryos dm3 All antigens Embryo 2h embryos SRX109551,SRX151218,...SRX109550,SRX151220,SRX151219 http://dbarchive.biosciencedbc.jp/kyushu-u/dm3/assembled/ALL.Emb.10.AllAg.2h_embryos.bed ...

  8. Analytical Formulas of Molecular Ion Abundances and N2H+ Ring in Protoplanetary Disks

    CERN Document Server

    Aikawa, Yuri; Nomura, Hideko; Qi, Chunhua

    2015-01-01

    We investigate the chemistry of ion molecules in protoplanetary disks, motivated by the detection of N$_2$H$^+$ ring around TW Hya. While the ring inner radius coincides with the CO snow line, it is not apparent why N$_2$H$^+$ is abundant outside the CO snow line in spite of the similar sublimation temperatures of CO and N$_2$. Using the full gas-grain network model, we reproduced the N$_2$H$^+$ ring in a disk model with millimeter grains. The chemical conversion of CO and N$_2$ to less volatile species (sink effect hereinafter) is found to affect the N$_2$H$^+$ distribution. Since the efficiency of the sink depends on various parameters such as activation barriers of grain surface reactions, which are not well constrained, we also constructed the no-sink model; the total (gas and ice) CO and N$_2$ abundances are set constant, and their gaseous abundances are given by the balance between adsorption and desorption. Abundances of molecular ions in the no-sink model are calculated by analytical formulas, which a...

  9. Hyperfine excitation of C2H and C2D by para-H2

    Science.gov (United States)

    Dumouchel, Fabien; Lique, François; Spielfiedel, Annie; Feautrier, Nicole

    2017-10-01

    The [C2H]/[C2D] abundance ratio is a useful tool to explore the physical and chemical conditions of cold molecular clouds. Hence, an accurate determination of both the C2H and C2D abundances is of fundamental interest. Due to the low density of the interstellar medium, the population of the energy levels of the molecules is not at local thermodynamical equilibrium. Thus, the accurate modelling of the emission spectra requires the calculation of collisional rate coefficients with the most abundant interstellar species. Hence, we provide rate coefficients for the hyperfine excitation of C2H and C2D by para-H2(j=0), the most abundant collisional partner in cold molecular clouds. State-to-state rate coefficients between the lowest levels were computed for temperatures ranging from 5 to 80 K. For both isotopologues, the Δj = ΔF propensity rule is observed. The comparison between C2H and C2D rate coefficients shows that differences by up to a factor of two exist, mainly for Δj = ΔN = 1 transitions. The new rate coefficients will significantly help in the interpretation of recent observed spectra.

  10. Photo-induced reactions in the ion-molecule complex Mg+-OCNC2H5

    Science.gov (United States)

    Sun, Ju-Long; Liu, Haichuan; Han, Ke-Li; Yang, Shihe

    2003-06-01

    Ion-molecule complexes of magnesium cation with ethyl isocyanate were produced in a laser-ablation supersonic expansion nozzle source. Photo-induced reactions in the 1:1 complexes have been studied in the spectral range of 230-410 nm. Photodissociation mass spectrometry revealed the persistent product Mg+ from nonreactive quenching throughout the entire wavelength range. As for the reactive channels, the photoproducts, Mg+OCN and C2H5+, were produced only in the blue absorption band of the complex with low yields. The action spectrum of Mg+(OCNC2H5) consists of two pronounced peaks on the red and blue sides of the Mg+ 32P←32S atomic transition. The ground state geometry of Mg+-OCNC2H5 was fully optimized at B3LYP/6-31+G** level by using GAUSSIAN 98 package. The calculated absorption spectrum of the complex using the optimized structure of its ground state agrees well with the observed action spectrum. Photofragment branching fractions of the products are almost independent of the photolysis photon energy for the 3Px,y,z excitations. The very low branching ratio of reactive products to nonreactive fragment suggests that evaporation is the main relaxation pathway in the photo-induced reactions of Mg+(OCNC2H5).

  11. Slow recrystallization of tripalmitoylglycerol from MCT oil observed by 2H NMR.

    Science.gov (United States)

    Smith, Kevin W; Smith, Paul R; Furó, István; Pettersson, Erik Thyboll; Cain, Fred W; Favre, Loek; Talbot, Geoff

    2007-10-17

    The crystallization and recrystallization of fats have a significant impact on the properties and quality of many food products. While crystallization has been the subject of a number of studies using pure triacylglycerols (TAG), recrystallization in similarly pure systems is rarely studied. In this work, perdeuterated tripalmitoylglycerol ( (2)H-PPP) was dissolved in medium chain triacylglycerol oil (MCT) to yield a saturated solution. The solution was heated to cause partial melting of the solid and dissolution of the molten fraction of (2)H-PPP in MCT and was then cooled to the original temperature to induce recrystallization from the supersaturated solution. (2)H NMR was used to monitor the disappearance of (2)H-PPP from the solution and showed that recrystallization occurred in two steps. The first step was rapid, taking place over a few minutes, and accounted for more than two-thirds of the total recrystallization. The second step was much slower, taking place over a remarkably long timescale of hours to days. It is proposed that dissolution occurs from all parts of the crystals, leaving an etched and pitted surface. The first step of crystallization is the infilling of these pits, while the second step is the continued growth on the smoothed crystal faces.

  12. Index of /data/yeast_y2h/20001204 [Life Science Database Archive metadata

    Lifescience Database Archive (English)

    Full Text Available Index of /data/yeast_y2h/20001204 Name Last modified Size Description Parent Directory - README.html... 06-Sep-2012 16:47 24K README_e.html 25-Jan-2016 19:36 17K core_original.zip 31-Aug-2009 14

  13. Iron-catalyzed Rearrangements and Cycloaddition Reactions of 2H-Chromenes

    Science.gov (United States)

    Luan, Yi; Sun, Huan

    2014-01-01

    Iron(III) salts catalyse the tandem rearrangement/hetero-Diels—Alder reaction of 2H-chromenes to yield tetrahydrochromeno heterocycles. The process can occur as a homodimerization and cycloaddition process using electron rich dienophiles. Deuterium labeling and mechanistic studies revealed a hydride shift and ortho-quinone methide cycloaddition reaction pathway. PMID:22098535

  14. N,N-bond-forming heterocyclization: synthesis of 3-alkoxy-2H-indazoles.

    Science.gov (United States)

    Mills, Aaron D; Nazer, Musa Z; Haddadin, Makhluf J; Kurth, Mark J

    2006-03-31

    A one-step heterocyclization of o-nitrobenzylamines to 3-alkoxy-2H-indazoles is reported. The electronic nature of the nitrophenyl group, the steric and electronic nature of the R1-functionalized benzylic amine, and the nature of the alcoholic solvent affect the efficiency of this heterocyclization reaction (approximately 40-90%).

  15. High purity H2/H2O/Ni/SZ electrodes at 500º C

    DEFF Research Database (Denmark)

    Høgh, Jens Valdemar Thorvald; Hansen, Karin Vels; Norrman, Kion

    2013-01-01

    of stabilized zirconia (SZ) with 10, 13 and 18 mol% yttria and one with 6 mol% scandia plus 4 mol% yttria were studied at open circuit voltage at 400-500 C in mixtures of H2/H2O over 46 days. The polarization resistances (Rp) for all samples increased significantly during the first 10-20 days at 500 C...

  16. Experimental and Kinetic Modeling Study of C2H2Oxidation at High Pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Tihic; Hashemi, Hamid

    2016-01-01

    A detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure has been developed and evaluated experimentally. The rate coefficients for the reactions of C2H2 with HO2 and O2 were investigated, based on the recent analysis of the potential energy...

  17. 4-Acetyl-2-hydroxy-2,5-dimethylfuran-3(2H-one

    Directory of Open Access Journals (Sweden)

    Chiaki Akazaki

    2016-10-01

    Full Text Available The facile synthesis of 4-acetyl-2-hydroxy-2,5-dimethylfuran-3(2H-one (4 was achieved by the Mn(OAc3-mediated aerobic oxidation of 2,4-pentanedione or the direct reaction of Mn(acac3 in AcOH-TFE at room temperature under a dried air stream.

  18. Weighted linear regression using D2H and D2 as the independent variables

    Science.gov (United States)

    Hans T. Schreuder; Michael S. Williams

    1998-01-01

    Several error structures for weighted regression equations used for predicting volume were examined for 2 large data sets of felled and standing loblolly pine trees (Pinus taeda L.). The generally accepted model with variance of error proportional to the value of the covariate squared ( D2H = diameter squared times height or D...

  19. Data of evolutionary structure change: 1AW2H-2VENA [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1AW2H-2VENA 1AW2 2VEN H A --RHPVVMGNWKLNGSKEMVVDLLNGLNAELEGVTGVDV...RQLDAVINTQGVEALEGAIIAYEPIWAIGTGKAATAEDAQRIHAQIRAHIAEK-SEAVAKNVVIQYGGSVKPENAAAYFAQPDIDGALVGGAALDAKSFAAIAKAAAE...>ALA CA 311 2VEN A 2VENA...> 1 2VEN A 2VENA A 2VENA YEPVW-----KVATP

  20. Optimizing GC Injections when Analyzing δ2H of Vanillin for Traceability Studies

    DEFF Research Database (Denmark)

    Hansen, Anne-Mette Sølvbjerg; Fromberg, Arvid; Frandsen, Henrik Lauritz

    Column overloading is a problem when analyzing δ2H, due to the low natural abundance of deuterium and poor ionization efficiency of H2. This problem can be overcome by using split injections instead of splitless. In this study we have compared the influence upon the measured isotopic ratios when ...

  1. Measurement of Astrophysical S Factor for Low Energy ~2H(d,γ)~4He Reaction

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    <正>In the energy range of 10-100 keV, the 2H(d,γ)4He reaction is of fundamental importance for the determination of deuteron burning and the 4He abundance in astronuclear processes. The observation of

  2. FFT PROCESSOR IMPLEMENTATION & THROUGHPUT OPTIMIZATION USING DMA & C2H COMPILER

    Directory of Open Access Journals (Sweden)

    Varsha Adhangale

    2013-07-01

    Full Text Available Discrete Fourier Transform (DFT is an important transform in signal analysis and process, but its time complexity can’t be accepted under many situations. How to make DFT more fast and efficient has become an important theory. According to the algorithm characteristics of DFT, FFT was brought in and decreased the time complexity to a very large extent. This paper presents 8-point Fast Fourier transform (FFT processor using Altera tool & devices such as Nios II Soft processor on DE0 board, C2H Compiler & DMA. The NiosII is soft core processor which is implemented on FPGA available on Altera DE0 board. C2H Compiler is a powerful tool that generates hardware accelerators for software functions. The C2H Compiler enhances design productivity by allowing using a compiler to accelerate software algorithms in hardware. It can quickly prototype hardware functional changes in C, and explore hardware-software design tradeoffs in an efficient, iterative process. Performance was also increased by allowing accelerating only part of that software program on hardware. The C2H Compiler is well suited for improving computational bandwidth as well as memory throughput. It also provides a simpler way of computing complex multiplications, while decreasing latency time. DMA (Direct memory Access is also one of the important concepts applied to increase the efficiency of implemented system. So in this paper performance of implemented FFT Processor is observed by three different approach & it shows how system will useful in various signals processing applications.

  3. Improved watermelon quality using bottle gourd rootstock expressing a Ca(2+)/H(+) antiporter

    Science.gov (United States)

    Bottle gourd ("Lagenaria siceraria" Standl.) has been commonly used as a source of rootstock for watermelon. To improve its performance as a rootstock without adverse effects on the scion, the bottle gourd was genetically engineered using a modified "Arabidopsis" Ca(2+)/H(+) exchanger sCAX2B. This t...

  4. Experimental and kinetic modeling study of C2H4 oxidation at high pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, Maria;

    2009-01-01

    A detailed chemical kinetic model for oxidation of C2H4 in the intermediate temperature range and high pressure has been developed and validated experimentally. New ab initio calculations and RRKM analysis of the important C2H3 + O-2 reaction was used to obtain rate coefficients over a wide range...... of conditions (0.003-100 bar, 200-3000 K). The results indicate that at 60 bar and medium temperatures vinyl peroxide, rather than CH2O and HCO, is the dominant product. The experiments, involving C2H4/O-2 mixtures diluted in N-2, were carried out in a high pressure flow reactor at 600-900 K and 60 bar, varying...... the reaction stoichiometry from very lean to fuel-rich conditions. Model predictions are generally satisfactory. The governing reaction mechanisms are outlined based on calculations with the kinetic model. Under the investigated conditions the oxidation pathways for C2H4 are more complex than those prevailing...

  5. LITERATURE REVIEW ON IMPACT OF GLYCOLATE ON THE 2H EVAPORATOR AND THE EFFLUENT TREATMENT FACILITY

    Energy Technology Data Exchange (ETDEWEB)

    Adu-Wusu, K.

    2012-05-10

    Glycolic acid (GA) is being studied as an alternate reductant in the Defense Waste Processing Facility (DWPF) feed preparation process. It will either be a total or partial replacement for the formic acid that is currently used. A literature review has been conducted on the impact of glycolate on two post-DWPF downstream systems - the 2H Evaporator system and the Effluent Treatment Facility (ETF). The DWPF recycle stream serves as a portion of the feed to the 2H Evaporator. Glycolate enters the evaporator system from the glycolate in the recycle stream. The overhead (i.e., condensed phase) from the 2H Evaporator serves as a portion of the feed to the ETF. The literature search revealed that virtually no impact is anticipated for the 2H Evaporator. Glycolate may help reduce scale formation in the evaporator due to its high complexing ability. The drawback of the solubilizing ability is the potential impact on the criticality analysis of the 2H Evaporator system. It is recommended that at least a theoretical evaluation to confirm the finding that no self-propagating violent reactions with nitrate/nitrites will occur should be performed. Similarly, identification of sources of ignition relevant to glycolate and/or update of the composite flammability analysis to reflect the effects from the glycolate additions for the 2H Evaporator system are in order. An evaluation of the 2H Evaporator criticality analysis is also needed. A determination of the amount or fraction of the glycolate in the evaporator overhead is critical to more accurately assess its impact on the ETF. Hence, use of predictive models like OLI Environmental Simulation Package Software (OLI/ESP) and/or testing are recommended for the determination of the glycolate concentration in the overhead. The impact on the ETF depends on the concentration of glycolate in the ETF feed. The impact is classified as minor for feed glycolate concentrations {le} 33 mg/L or 0.44 mM. The ETF unit operations that will have

  6. Tailoring the hydrogen desorption thermodynamics of V{sub 2}H by alloying additives

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sanjay, E-mail: sanjay.barc@gmail.com [Fusion Reactor Materials Section, BARC, Mumbai (India); Tiwari, G.P. [R.A. Institute of Technology, Vidya Nagri, Nerul 400709, Navi Mumbai (India); Krishnamurthy, N. [Fusion Reactor Materials Section, BARC, Mumbai (India)

    2015-10-05

    Highlights: • Decomposition of VH{sub 2} is three step process. • Electronic structure and H solubility are correlated. • Addition of hydride forming metal enhance the thermal stability of V{sub 2}H. • Lattices strain energy could decrease thermal stability of V{sub 2}H. - Abstract: Vanadium could be a potential candidate for on board hydrogen storage application because of its high gravimetric hydrogen storage capacity (∼3.8 mass%) which is even better then the most widely explored AB{sub 5}, AB{sub 2} & AB intermetallic compounds. Hydrogen absorption of vanadium takes place at ambient temperature and pressure with fast kinetics. The vanadium hydride (VH{sub 2}) releases hydrogen in two steps: (1) VH{sub 2}(γ){sub (s)} ↔ ½ V{sub 2}H(β){sub (s)} and (2) V{sub 2}H(β){sub (s)} ↔ 2V{sub (s)} + ½ H{sub 2(g)}. First step is achievable at the ambient temperature and pressure conditions while, the second step requires high temperature (590 K). Thus only half of the total hydrogen storage capacity is available for use on subsequent absorption–desorption cycles at the ambient temperature. The usable hydrogen storage capacity of VH{sub 2} at ambient conditions could be enhanced by tailoring the thermodynamics and kinetics of second step of hydrogen desorption reaction. This could be possible by selecting suitable alloy additives. The present study deals with the selection criteria of alloy additives based on the electronic consideration to tailor the hydrogen desorption thermodynamics and kinetics of V{sub 2}H.

  7. Interaction in (Ti,Sc)Fe{sub 2}-H{sub 2} and (Zr,Sc)Fe{sub 2}-H{sub 2} systems

    Energy Technology Data Exchange (ETDEWEB)

    Zotov, T.; Movlaev, E. [Chemistry Department, Lomonosov Moscow State University, Lenin Hill, 119992 Moscow (Russian Federation); Mitrokhin, S. [Chemistry Department, Lomonosov Moscow State University, Lenin Hill, 119992 Moscow (Russian Federation)], E-mail: Mitrokhin@hydride.chem.msu.ru; Verbetsky, V. [Chemistry Department, Lomonosov Moscow State University, Lenin Hill, 119992 Moscow (Russian Federation)

    2008-07-14

    Results of investigation of hydrogen sorption properties of Ti(Zr){sub x}Sc{sub 1-x}Fe{sub 2} (x = 1, 0.8 and 0.5) alloys are presented. The measurements were performed for pressures up to 3000 atm. In case of titanium alloys hydride formation was established only for x = 0.5. Estimated equilibrium absorption pressure for x = 0.8 and 1.0 was too high for experimental limits of the device. In case of zirconium alloys hydride formation was found for all three concentrations. Absorption-desorption isotherms were measured for the first time for ZrFe{sub 2}-H{sub 2} system. Calculated enthalpy of hydrogen desorption was found to be 21.3 kJ/mole H{sub 2}.

  8. Investigation of Coating Performance of UV-Curable Hybrid Polymers Containing 1H,1H,2H,2H-Perfluorooctyltriethoxysilane Coated on Aluminum Substrates

    Directory of Open Access Journals (Sweden)

    Mustafa Çakır

    2017-03-01

    Full Text Available This study describes preparation and characterization of fluorine-containing organic-inorganic hybrid coatings. The organic part consists of bisphenol-A glycerolate (1 glycerol/phenol diacrylate resin and 1,6-hexanediol diacrylate reactive diluent. The inorganically rich part comprises trimethoxysilane-terminated urethane, 1H,1H,2H,2H-perfluorooctyltriethoxysilane, 3-(trimethoxysilyl propyl methacrylate and sol–gel precursors that are products of hydrolysis and condensation reactions. Bisphenol-A glycerolate (1 glycerol/phenol diacrylate resin was added to the inorganic part in predetermined amounts. The resultant mixture was utilized in the preparation of free films as well as coatings on aluminum substrates. Thermal and mechanical tests such as DSC, thermo-gravimetric analysis (TGA, and tensile and shore D hardness tests were performed on free films. Water contact angle, gloss, Taber abrasion test, cross-cut and tubular impact tests were conducted on the coated samples. SEM examination and EDS analysis was performed on the fractured surfaces of free films. The hybrid coatings on the aluminum sheets gave rise to properties such as moderately glossed surface; low wear rate and hydrophobicity. Tensile strength of free films increased with up to 10% inorganic content in the hybrid structure and this increase was approximately three times that of the control sample. As expected; the % strain value decreased by 17.3 with the increase in inorganic content and elastic modulus values increased by a factor of approximately 6. Resistance to ketone-based solvents was proven and an increase in hardness was observed as the ratio of the inorganic part increased. Samples which contain 10% sol–gel content were observed to provide optimal properties.

  9. Antiviral activity of 3(2H- and 6-chloro-3(2H-isoflavenes against highly diverged, neurovirulent vaccine-derived, type2 poliovirus sewage isolates.

    Directory of Open Access Journals (Sweden)

    Lester M Shulman

    Full Text Available BACKGROUND: Substituted flavanoids interfere with uncoating of Enteroviruses including Sabin-2 polio vaccine strains. However flavanoid resistant and dependent, type-2 polio vaccine strains (minimally-diverged, emerged during in vitro infections. Between 1998-2009, highly-diverged (8 to >15% type-2, aVDPV(2s, from two unrelated persistent infections were periodically isolated from Israeli sewage. AIM: To determine whether highly evolved aVDPV(2s derived from persistent infections retained sensitivity to isoflavenes. METHODS: Sabin-2 and ten aVDPV(2 isolates from two independent Israeli sources were titered on HEp2C cells in the presence and absence of 3(2H- Isoflavene and 6-chloro-3(2H-Isoflavene. Neurovirulence of nine aVDPV(2s was measured in PVR-Tg-21 transgenic mice. Differences were related to unique amino acid substitutions within capsid proteins. PRINCIPAL FINDINGS: The presence of either flavanoid inhibited viral titers of Sabin-2 and nine of ten aVDPV(2s by one to two log(10. The tenth aVDPV(2, which had unique amino acid substitution distant from the isoflavene-binding pocket but clustered at the three- and five-fold axies of symmetry between capsomeres, was unaffected by both flavanoids. Genotypic neurovirulence attenuation sites in the 5'UTR and VP1 reverted in all aVDPV(2s and all reacquired a full neurovirulent phenotype except one with amino acid substitutions flanking the VP1 site. CONCLUSION: Both isoflavenes worked equally well against Sabin 2 and most of the highly-diverged, Israeli, aVDPV(2s isolates. Thus, functionality of the hydrophobic pocket may be unaffected by selective pressures exerted during persistent poliovirus infections. Amino acid substitutions at sites remote from the drug-binding pocket and adjacent to a neurovirulence attenuation site may influence flavanoid antiviral activity, and neurovirulence, respectively.

  10. High-Density Energetic Metal-Organic Frameworks Based on the 5,5'-Dinitro-2H,2'H-3,3'-bi-1,2,4-triazole.

    Science.gov (United States)

    Dong, Yalu; Peng, Panpan; Hu, Baoping; Su, Hui; Li, Shenghua; Pang, Siping

    2017-06-26

    High-energy metal-organic frameworks (MOFs) based on nitrogen-rich ligands are an emerging class of explosives, and density is one of the positive factors that can influence the performance of energetic materials. Thus, it is important to design and synthesize high-density energetic MOFs. In the present work, hydrothermal reactions of Cu(II) with the rigid polynitro heterocyclic ligands 5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole (DNBT) and 5,5'-dinitro-3,3'-bis-1,2,4-triazole-1-diol (DNBTO) gave two high-density MOFs: [Cu(DNBT)(ATRZ)₃]n (1) and [Cu(DNBTO)(ATRZ)₂(H₂O)₂]n (2), where ATRZ represents 4,4'-azo-1,2,4-triazole. The structures were characterized by infrared spectroscopy, elemental analysis, ultraviolet-visible (UV) absorption spectroscopy and single-crystal X-ray diffraction. Their thermal stabilities were also determined by thermogravimetric/differential scanning calorimetry analysis (TG/DSC). The results revealed that complex 1 has a two-dimensional porous framework that possesses the most stable chair conformations (like cyclohexane), whereas complex 2 has a one-dimensional polymeric structure. Compared with previously reported MOFs based on copper ions, the complexes have higher density (ρ = 1.93 g cm(-3) for complex 1 and ρ = 1.96 g cm(-3) for complex 2) and high thermal stability (decomposition temperatures of 323 °C for complex 1 and 333.3 °C for complex 2), especially because of the introduction of an N-O bond in complex 2. We anticipate that these two complexes would be potential high-energy density materials.

  11. Effects of leaf water evaporative (2) H-enrichment and biosynthetic fractionation on leaf wax n-alkane δ(2) H values in C3 and C4 grasses.

    Science.gov (United States)

    Gamarra, B; Sachse, D; Kahmen, A

    2016-11-01

    Leaf wax n-alkane δ(2) H values carry important information about environmental and ecophysiological processes in plants. However, the physiological and biochemical drivers that shape leaf wax n-alkane δ(2) H values are not completely understood. It is particularly unclear why n-alkanes in grasses are typically (2) H-depleted compared with plants from other taxonomic groups such as dicotyledonous plants and why C3 grasses are (2) H-depleted compared with C4 grasses. To resolve these uncertainties, we quantified the effects of leaf water evaporative (2) H-enrichment and biosynthetic hydrogen isotope fractionation on n-alkane δ(2) H values for a range of C3 and C4 grasses grown in climate-controlled chambers. We found that only a fraction of leaf water evaporative (2) H-enrichment is imprinted on the leaf wax n-alkane δ(2) H values in grasses. This is interesting, as previous studies have shown in dicotyledonous plants a nearly complete transfer of this (2) H-enrichment to the n-alkane δ(2) H values. We thus infer that the typically observed (2) H-depletion of n-alkanes in grasses (as opposed to dicots) is because only a fraction of the leaf water evaporative (2) H-enrichment is imprinted on the δ(2) H values. Our experiments also show that differences in n-alkane δ(2) H values between C3 and C4 grasses are largely the result of systematic differences in biosynthetic fractionation between these two plant groups, which was on average -198‰ and-159‰ for C3 and C4 grasses, respectively.

  12. Effect of gas phase composition cycling on/off modulation numbers of C2H2/SF6 flows on the formation of geometrically controlled carbon coils.

    Science.gov (United States)

    Eum, Jun-Ho; Jeon, Young-Chul; Kim, Sung-Hoon

    2012-07-01

    Carbon coils can be synthesized using C2H2/H2 as source gases and SF6 as an incorporated additive gas under a thermal chemical vapor deposition system. In this study, nickel catalyst layer deposition and then hydrogen plasma pretreatment were performed prior to the carbon coils deposition reaction. To obtain geometrically controlled carbon coils, source gases and SF6 were manipulated as the cycling on/off modulation numbers of C2H2/SF6 flows. The cycling numbers were varied according to the different reaction processes. The increased cycling numbers could develop the wave-like nano-sized carbon coils. By further increasing the cycling numbers, however, the nanostructured carbon coils seemed to deteriorate. As a result, the maximum formation of geometrically controlled carbon coils was achieved by adjusting the cycling numbers. The enhanced etching capability of the fluorine-related species in SF6 additive gas was considered for the main objective of controlling the geometry of carbon coils.

  13. Dusty plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Fortov, Vladimir E; Khrapak, Aleksei G; Molotkov, Vladimir I; Petrov, Oleg F [Institute for High Energy Densities, Associated Institute for High Temperatures, Russian Academy of Sciences, Moscow (Russian Federation); Khrapak, Sergei A [Max-Planck-Institut fur Extraterrestrische Physik, Garching (Germany)

    2004-05-31

    The properties of dusty plasmas - low-temperature plasmas containing charged macroparticles - are considered. The most important elementary processes in dusty plasmas and the forces acting on dust particles are investigated. The results of experimental and theoretical investigations of different states of strongly nonideal dusty plasmas - crystal-like, liquid-like, gas-like - are summarized. Waves and oscillations in dusty plasmas, as well as their damping and instability mechanisms, are studied. Some results on dusty plasma investigated under microgravity conditions are presented. New directions of experimental research and potential applications of dusty plasmas are discussed. (reviews of topical problems)

  14. Plasma chemistry study of PLAD processes

    Energy Technology Data Exchange (ETDEWEB)

    Qin Shu; Brumfield, Kyle; Liu, Lequn Jennifer; Hu, Yongjun Jeff; McTeer, Allen; Hsu, Wei Hui; Wang Maoying [Nanya Technology Inc., Santa Clara, CA 95054 (United States); Micron Technology Inc., Boise, ID 83707 (United States)

    2012-11-06

    Plasma doping (PLAD) shows very different impurity profiles compared to the conventional beam-line-based ion implantations due to its non-mass separation property and plasma environment. There is no simulation for PLAD process so far due to a lack of a dopant profile model. Several factors determine impurity profiles of PLAD process. The most significant factors are: plasma chemistry and deposition/etching characteristics of multi-ion species plasmas. In this paper, we present plasma chemistry and deposition/etching characteristics of PLAD processes versus co-gas dilutions. Four dopant plasmas including B{sub 2}H{sub 6}, BF{sub 3}, AsH{sub 3}, and PH{sub 3}, and two non-dopant plasmas including CH{sub 4} and GeH{sub 4} are studied and demonstrated.

  15. PLASMA PYROLYSIS OF BROWN COAL

    OpenAIRE

    Plotczyk, W.; Resztak, A.; A.; Szymanski

    1990-01-01

    The specific energy of the substrate is defined as the ratio of the plasma jet energy to the mass of the coal. The influence of the specific energy of the brown coal (10 - 35 MJ/kg) on the yield and selectivity of the gaseous products formation was determined. The pyrolysis was performed in d.c. arc hydrogen plasma jet with the 25 kW power delivered to it. The higher specific energies of coal correlated to the higher conversion degrees of the substrates to C2H2 and CO as well as to the higher...

  16. A Comparison of hs-CRP Levels in New Diabetes Groups Diagnosed Based on FPG, 2-hPG, or HbA1c Criteria.

    Science.gov (United States)

    Tutuncu, Yildiz; Satman, Ilhan; Celik, Selda; Dinccag, Nevin; Karsidag, Kubilay; Telci, Aysegul; Genc, Sema; Issever, Halim; Tuomilehto, Jaakko; Omer, Beyhan

    2016-01-01

    Fasting plasma glucose (FPG) and hemoglobin A1c (HbA1c) have been used to diagnose new-onset diabetes mellitus (DM) in order to simplify the diagnostic tests compared with the 2-hour oral glucose tolerance test (OGTT; 2-hPG). We aimed to identify optimal cut-off points of high sensitive C-reactive protein (hs-CRP) in new-onset DM people based on FPG, 2-hPG, or HbA1c methods. Data derived from recent population-based survey in Turkey (TURDEP-II). The study included 26,499 adult people (63% women, response rate 85%). The mean serum concentration of hs-CRP in women was higher than in men (p hs-CRP level than FPG based and 2-hPG based DM cases. In HbA1c, 2-hPG, and FPG based new-onset DM people, cut-off levels of hs-CRP in women were 2.9, 2.1, and 2.5 mg/L [27.5, 19.7, and 23.5 nmol/L] and corresponding values in men were 2.0, 1.8, and 1.8 mg/L (19.0, 16.9, and 16.9 nmol/L), respectively (sensitivity 60-65% and specificity 54-64%). Our results revealed that hs-CRP may not further strengthen the diagnosis of new-onset DM. Nevertheless, the highest hs-CRP level observed in new-onset DM people diagnosed with HbA1c criterion supports the general assumption that this method might recognize people in more advanced diabetic stage compared with other diagnostic methods.

  17. The 2H Electric Dipole Moment in a Separable Potential Approach

    Directory of Open Access Journals (Sweden)

    Afnan I.R.

    2010-04-01

    Full Text Available Measurement of the electric dipole moment (EDM of 2H or of 3He may well come prior to the coveted measurement of the neutron EDM. Exact model calculations for the deuteron are feasible, and we explore here the model dependence of such deuteron EDM calculations. We investigate in a separable potential approach the relationship of the full model calculation to the plane wave approximation, correct an error in an early potential model result, and examine the tensor force aspects of the model results as well as the effect of the short range repulsion found in the realistic, contemporary potential model calculations of Liu and Timmermans. We conclude that, because one-pion exchange dominates the EDM calculation, separable potential model calculations should provide an adequate picture of the 2H EDM until better than 10% measurements are achieved.

  18. Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-ylmethyl morpholine-4-carbodithioate

    Directory of Open Access Journals (Sweden)

    B. R. Anitha

    2015-12-01

    Full Text Available In the title compound, C15H14FNO3S2, the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms is 88.21 (11°. In the crystal, inversion dimers linked by pairs of very weak C—H...F hydrogen bonds generate R22(8 loops; C—H...O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π–π stacking interactions between the pyran rings of the chromene systems [centroid–centroid distance = 3.6940 (16 Å] are also observed.

  19. The 2H Electric Dipole Moment in a Separable Potential Approach

    Science.gov (United States)

    Gibson, B. F.; Afnan, I. R.

    2010-04-01

    Measurement of the electric dipole moment (EDM) of 2H or of 3He may well come prior to the coveted measurement of the neutron EDM. Exact model calculations for the deuteron are feasible, and we explore here the model dependence of such deuteron EDM calculations. We investigate in a separable potential approach the relationship of the full model calculation to the plane wave approximation, correct an error in an early potential model result, and examine the tensor force aspects of the model results as well as the effect of the short range repulsion found in the realistic, contemporary potential model calculations of Liu and Timmermans. We conclude that, because one-pion exchange dominates the EDM calculation, separable potential model calculations should provide an adequate picture of the 2H EDM until better than 10% measurements are achieved.

  20. THE 2H(alpha, gamma6LI REACTION AT LUNA AND BIG BANG NUCLEOSYNTHETIS

    Directory of Open Access Journals (Sweden)

    Carlo Gustavino

    2013-12-01

    Full Text Available The 2H(α, γ6Li reaction is the leading process for the production of 6Li in standard Big Bang Nucleosynthesis. Recent observations of lithium abundance in metal-poor halo stars suggest that there might be a 6Li plateau, similar to the well-known Spite plateau of 7Li. This calls for a re-investigation of the standard production channel for 6Li. As the 2H(α, γ6Li cross section drops steeply at low energy, it has never before been studied directly at Big Bang energies. For the first time the reaction has been studied directly at Big Bang energies at the LUNA accelerator. The preliminary data and their implications for Big Bang nucleosynthesis and the purported 6Li problem will be shown.

  1. ETM and ANN study for polysubstituted 2H-pyran-2-ones.

    Science.gov (United States)

    Saracoglu, Murat; Basaran, Murat Alper; Thul, Pallavi; Sayiner, Hakan; Kandemirli, Sedat Giray; Gupta, Ved Prakash; Kandemirli, Fatma

    2013-09-01

    The structure glutamate pyruvate transaminase (GPT), glutamate oxaloacetate transaminase (GOT), acid phosphatase (ACP), alkaline phosphatase (ALP) and glutamate dehydrogenase (GlDH) activity relationships of 2H-pyran-2- ones polysubstitutes being a new class of hepatoprotective agents have been investigated by means of the Electronic- Topological Method (ETM) and two Statistical Analysis. Molecular fragments specific for active compounds were calculated for 2H-pyran-2-ones polysubstitutes by applying the ETM. QSAR descriptors such as molecular weight, EHOMO, ELUMO, ΔE, chemical potential, softness, electrophilicity index, dipole moment, etc were calculated. In order to examine the relationship between independent and dependent variables, both Partial Least Squares Regression and ANNs are employed to determine the relationship since the data set consists of highly nonlinearity and multicolinearity. It is observed that ANN has surpassed both PLS2 and PLS1 in terms of better modeling and validation.

  2. Separation of 2H MAS NMR Spectra by Two-Dimensional Spectroscopy

    Science.gov (United States)

    Kristensen, J. H.; Bildsøe, H.; Jakobsen, H. J.; Nielsen, N. C.

    1999-08-01

    New methods for optimum separation of 2H MAS NMR spectra are presented. The approach is based on hypercomplex spectroscopy that is useful for sign discrimination and phase separation. A new theoretical formalism is developed for the description of hypercomplex experiments. This exploits the properties of Lie algebras and hypercomplex numbers to obtain a solution to the Liouville-von Neumann equation. The solution is expressed in terms of coherence transfer functions that describe the allowed coherence transfer pathways in the system. The theoretical formalism is essential in order to understand all the features of hypercomplex experiments. The method is applied to the development of two-dimensional quadrupole-resolved 2H MAS NMR spectroscopy. The important features of this technique are discussed and two different versions are presented with widely different characteristics. An improved version of two-dimensional double-quantum 2H MAS NMR spectroscopy is developed. The conditions under which the double-quantum experiment is useful are discussed and its performance is compared with that observed for the quadrupole-resolved experiments. A general method is presented for evaluating the optimum pulse sequence parameters consistent with maximum sensitivity and resolution. This approach improves the performance of the experiments and is essential for any further development of the techniques. The effects of finite pulse width and hypercomplex data processing may lead to both intensity and phase distortions in the spectra. These effects are analyzed and general correction procedures are suggested. The techniques are applied to polycrystalline malonic-acid-2H4 for which the spinning sideband manifolds from the carboxyl and methylene deuterons are separated. The spinning sideband manifolds are simulated to determine the quadrupole parameters. The values are consistent with previous results, indicating that the techniques are both accurate and reliable.

  3. Characterization Results for the March 2016 H-Tank Farm 2H Evaporator Overhead Samples

    Energy Technology Data Exchange (ETDEWEB)

    Nicholson, J. C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-05-09

    This report contains the radioanalytical results of the 2H evaporator overhead sample received at SRNL on March 16, 2016. Specifically, concentrations of 137Cs, 90Sr, and 129I are reported and compared to the corresponding Waste Acceptance Criteria (WAC) limits of the Effluent Treatment Project (ETP) Waste Water Collection Tank (WWCT) (rev. 6). All of the radionuclide concentrations in the sample were found to be in compliance with the ETP WAC limits.

  4. (6-Bromo-2-oxo-2H-chromen-4-ylmethyl diethylcarbamodithioate

    Directory of Open Access Journals (Sweden)

    M. Vinduvahini

    2016-01-01

    Full Text Available In the title compound, C15H16BrNO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.0182 (22 Å. In the crystal, π–π interactions between pyran and benzene rings of chromene [shortest centroid–centroid distance = 3.7588 (14 Å] occur.

  5. Efficient and convenient synthesis of indazol-3(2H)-ones and 2-aminobenzonitriles.

    Science.gov (United States)

    Dou, Guolan; Shi, Daqing

    2009-01-01

    A mild, efficient, one-pot protocol for the synthesis of indazole-3(2H)-ones via cyclization of nitro-aryl substrates through low-valent titanium reagent has been described. The method used Triethylamine (TEA) to control pH. Particularly, 2-aminobenzonitriles were synthesized by one step easily. The mechanistic course of the reaction suggests the involvement of an anion leading to an intramolecular cyclization via N-N bond formation.

  6. The Abundance of C2H4 in the Circumstellar Envelope of IRC+10216

    Science.gov (United States)

    Fonfría, J. P.; Hinkle, K. H.; Cernicharo, J.; Richter, M. J.; Agúndez, M.; Wallace, L.

    2017-02-01

    High spectral resolution mid-IR observations of ethylene ({{{C}}}2{{{H}}}4) toward the AGB star IRC+10216 were obtained using the Texas Echelon Cross Echelle Spectrograph (TEXES) at the NASA Infrared Telescope Facility (IRTF). 80 ro-vibrational lines from the 10.5 μm vibrational mode {ν }7 with J ≲ 30 were detected in absorption. The observed lines are divided into two groups with rotational temperatures of 105 and 400 K (warm and hot lines). The warm lines peak at ≃ ‑14 km s‑1 with respect to the systemic velocity, suggesting that they are mostly formed outwards from ≃ 20{R}\\star . The hot lines are centered at ‑10 km s‑1 indicating that they come from a shell between 10 and 20{\\text{}}{R}\\star . 35% of the observed lines are unblended and can be fitted with a code developed to model the emission of a spherically symmetric circumstellar envelope. The analysis of several scenarios reveals that the {{{C}}}2{{{H}}}4 abundance relative to H2 in the range 5‑20R⋆ is 6.9× {10}-8 on average and it could be as high as 1.1 × 10‑7. Beyond 20{\\text{}}{R}\\star , it is 8.2 × 10‑8. The total column density is (6.5 ± 3.0) × 1015 cm‑2. {{{C}}}2{{{H}}}4 is found to be rotationally under local thermodynamical equilibrium (LTE) and vibrationally out of LTE. One of the scenarios that best reproduce the observations suggests that up to 25% of the {{{C}}}2{{{H}}}4 molecules at 20{\\text{}}{R}\\star could condense onto dust grains. This possible depletion would not significantly influence the gas acceleration although it could play a role in the surface chemistry on the dust grains.

  7. Relaxation phenomena in CsCoCl3·2 H2O

    NARCIS (Netherlands)

    Flokstra, J.; Gerritsma, G.J.; Vermeulen, A.J.W.A; Botterman, A.C.

    1973-01-01

    Dynamic susceptibility measurements have been performed on a single crystal of CsCoCl3·2H2O at liquid temperatures by means of a Hartshorn mutual inductance bridge. At the magnetic phase transition a maximum in τabs(H) has been observed. A jump in τabs(T) has been found at the λ-point of liquid heli

  8. Kinetics Studies of Radical-Radical Reactions (I): The NO2 + N2H3 System

    Science.gov (United States)

    2013-08-01

    the potential energy surface for the NO2 + N2H3 system and have established the most likely reaction mechanism. The technique of laser photolysis...configuration interactions and coupled-cluster theories with single and double excitations, and correction for triple excitations. Specifically, the...differentially pumped chamber containing an electron impact ionization quadrupole mass spectrometer. 4. Results and Discussion To our knowledge

  9. The Abundance of C2H4 in the Circumstellar Envelope of IRC+10216

    Science.gov (United States)

    Fonfría, J. P.; Hinkle, K. H.; Cernicharo, J.; Richter, M. J.; Agúndez, M.

    2017-01-01

    High spectral resolution mid-IR observations of ethylene (C2H4) towards the AGB star IRC+10216 were obtained using the Texas Echelon Cross Echelle Spectrograph (TEXES) at the NASA Infrared Telescope Facility (IRTF). Eighty ro-vibrational lines from the 10.5 µm vibrational mode ν7 with J ≲ 30 were detected in absorption. The observed lines are divided into two groups with rotational temperatures of 105 and 400 K (warm and hot lines). The warm lines peak at ≃ −14 km s−1 with respect to the systemic velocity, suggesting that they are mostly formed outwards from ≃ 20R⋆. The hot lines are centered at −10 km s−1 indicating that they come from a shell between 10 and 20R⋆. 35% of the observed lines are unblended and can be fitted with a code developed to model the emission of a spherically symmetric circumstellar envelope. The analysis of several scenarios reveal that the C2H4 abundance relative to H2 in the range 5 − 20R⋆ is 6.9 × 10−8 in average and it could be as high as 1.1 × 10−7. Beyond 20R⋆, it is 8.2 × 10−8. The total column density is (6.5 ± 3.0) × 1015 cm−2. C2H4 is found to be rotationally under local thermodynamical equilibrium (LTE) and vibrationally out of LTE. One of the scenarios that best reproduce the observations suggests that up to 25% of the C2H4 molecules at 20R⋆ could condense onto dust grains. This possible depletion would not influence significantly the gas acceleration although it could play a role in the surface chemistry on the dust grains. PMID:28184097

  10. Study of the tau- -> 3h- 2h+ nu-tau Decay

    CERN Document Server

    Aubert, B; Boutigny, D; Couderc, F; Gaillard, J M; Hicheur, A; Karyotakis, Yu; Lees, J P; Tisserand, V; Zghiche, A; Palano, A; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, Michael T; Shelkov, V G; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Steinke, M; Boyd, J T; Chevalier, N; Cottingham, W N; Kelly, M P; Latham, T E; Wilson, F F; Çuhadar-Dönszelmann, T; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Thiessen, D; Khan, A; Kyberd, P; Teodorescu, L; Blinov, A E; Blinov, V E; Druzhinin, V P; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bruinsma, M; Chao, M; Eschrich, I; Kirkby, D; Lankford, A J; Mandelkern, M A; Mommsen, R K; Röthel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Foulkes, S D; Gary, J W; Shen, B C; Wang, K; Del Re, D; Hadavand, H K; Hill, E J; MacFarlane, D B; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Dahmes, B; Long, O; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Yang, S; Jayatilleke, S M; Mancinelli, G; Meadows, B T; Sokoloff, M D; Abe, T; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Smith, J G; Zhang, J; Zhang, L; Chen, A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Lacker, H M; Müller-Pfefferkorn, R; Nogowski, R; Otto, S; Petzold, A; Schubert, J; Schubert, Klaus R; Schwierz, R; Spaan, B; Sundermann, J E; Bernard, D; Bonneaud, G R; Brochard, F; Grenier, P; Schrenk, S; Thiebaux, C; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Lavin, D; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Sarti, A; Treadwell, E; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; De Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Crosetti, G; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Won, E; Dubitzky, R S; Langenegger, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Charles, M J; Grenier, G J; Mallik, U; Cochran, J; Crawley, H B; Lamsa, J; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Yi, J; Biasini, M; Covarelli, R; Pioppi, M; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Laplace, S; Le Diberder, F R; Lepeltier, V; Lutz, A M; Petersen, T C; Plaszczynski, S; Schune, M H; Tantot, L; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Coleman, J P; Forster, I J; Fry, J R; Gabathuler, Erwin; Gamet, R; Hutchcroft, D E; Parry, R J; Payne, D J; Sloane, R J; Touramanis, C; Back, J J; Harrison, P F; Mohanty, G B; Cowan, G; Flack, R L; Flächer, H U; Green, M G; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Winter, M A; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Hart, P A; Hodgkinson, M C; Lafferty, G D; Lyon, A J; Williams, J C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Flood, K T; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Stängle, H; Willocq, S; Cowan, R; Sciolla, G; Sekula, S J; Taylor, F; Yamamoto, R K; Mangeol, D J J; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L M; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Nicholson, H; Cavallo, N; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; LoSecco, J M; Allmendinger, T; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonian, R; Wong, Q K; Brau, J E; Frey, R; Igonkina, O; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Tiozzo, G; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; La Vaissière, C de; Del Buono, L; Hamon, O; John, M J J; Leruste, P; Malcles, J; Ocariz, J; Pivk, M; Roos, L; T'Jampens, S; Therin, G; Manfredi, P F; Re, V; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Martínez-Vidal, F; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Sandrelli, F; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Danielson, N; Elmer, P; Lau, Y P; Lü, C; Miftakov, V; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Pierini, M; Piredda, G; Safai-Tehrani, F; Voena, C; Christ, S; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B J; Geddes, N I; Gopal, G P; Olaiya, E O; Aleksan, Roy; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P F; Hamel de Monchenault, G; Kozanecki, Witold; Legendre, M; London, G W; Mayer, B; Schott, G; Vasseur, G; Yéche, C; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmüller, O L; Claus, R; Convery, M R; Cristinziani, M; De Nardo, Gallieno; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W M; Elsen, E E; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hrynóva, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Lüth, V; Lynch, H L; Marsiske, H; Messner, R; Müller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Petrak, S; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Simi, G; Snyder, A; Soha, A; Stelzer, J; Su, D; Sullivan, M K; Vavra, J; Wagner, S R; Weaver, M; Weinstein, A J R; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Young, C C; Burchat, Patricia R; Edwards, A J; Meyer, T I; Petersen, B A; Roat, C; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Saleem, M; Wappler, F R; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Kim, H; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bóna, M; Gallo, F; Gamba, D; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vuagnin, G; Panvini, R S; Banerjee, Sw; Brown, C M; Fortin, D; Jackson, P D; Kowalewski, R V; Roney, J M; Sobie, R J; Band, H R; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mihályi, A; Mohapatra, A K; Pan, Y; Prepost, R; Tan, P; Von Wimmersperg-Töller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2004-01-01

    A preliminary measurement of the branching fraction of the tau- -> 3h-2h+nu decay (h= pi, K$) with the BaBar detector is found to be {8.52 +/- 0.09 +/- 0.40} x 10E-4, where the first error is statistical and the second is systematic. The data show evidence that the rho resonance plays a strong role in the decay of the tau lepton to five charged hadrons.

  11. (1)H-(2)H cross-polarization NMR in fast spinning solids by adiabatic sweeps.

    Science.gov (United States)

    Wi, Sungsool; Schurko, Robert; Frydman, Lucio

    2017-03-14

    Cross-polarization (CP) experiments employing frequency-swept radiofrequency (rf) pulses have been successfully used in static spin systems for obtaining broadband signal enhancements. These experiments have been recently extended to heteronuclear I, S = spin-1/2 nuclides under magic-angle spinning (MAS), by applying adiabatic inversion pulses along the S (low-γ) channel while simultaneously applying a conventional spin-locking pulse on the I-channel ((1)H). This study explores an extension of this adiabatic frequency sweep concept to quadrupolar nuclei, focusing on CP from (1)H (I = 1/2) to (2)H spins (S = 1) undergoing fast MAS (νr = 60 kHz). A number of new features emerge, including zero- and double-quantum polarization transfer phenomena that depend on the frequency offsets of the swept pulses, the rf pulse powers, and the MAS spinning rate. An additional mechanism found operational in the (1)H-(2)H CP case that was absent in the spin-1/2 counterpart, concerns the onset of a pseudo-static zero-quantum CP mode, driven by a quadrupole-modulated rf/dipolar recoupling term arising under the action of MAS. The best CP conditions found at these fast spinning rates correspond to double-quantum transfers, involving weak (2)H rf field strengths. At these easily attainable (ca. 10 kHz) rf field conditions, adiabatic level-crossings among the {|1⟩,|0⟩,|-1⟩} mS energy levels, which are known to complicate the CP MAS of quadrupolar nuclei, are avoided. Moreover, the CP line shapes generated in this manner are very close to the ideal (2)H MAS spectral line shapes, facilitating the extraction of quadrupolar coupling parameters. All these features were corroborated with experiments on model compounds and justified using numerical simulations and average Hamiltonian theory models. Potential applications of these new phenomena, as well as extensions to higher spins S, are briefly discussed.

  12. The 2H(e, e' p)n reaction at large energy transfers

    NARCIS (Netherlands)

    Willering, Hendrik Willem

    2003-01-01

    At the ELSA accelerator facillity in Bonn, Germany, we have measured the deutron "breakup" reaction 2H(e,e' p)n at four-momentum transfers around Q2 = -0 .20(GeV/c)2 with an electron beam energy of E0 = 1.6 GeV. The cross section has been determined for energy transfers extending from the quasielast

  13. A one-step synthesis of [3-{sup 2}H]oxazepam

    Energy Technology Data Exchange (ETDEWEB)

    Yang, S.K.; Ziping Bao [Uniformed Services Univ. of the Health Sciences, Bethesda, MD (United States). Dept. of Pharmacology; Magang Shou [National Cancer Inst., Bethesda, MD (United States). Lab. of Molecular Carcinogenesis

    1995-09-01

    The proton at 3-position of oxazepam (7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-on e) undergoes a deuterium exchange in deuterated alkaline methanol. A base-catalyzed keto-enol tautomerism is proposed to be responsible for the observed deuterium exchange. This simple method is a considerable improvement of the multi-step synthetic procedure reported in the literature. (Author).

  14. Establishment of the C(2)H(5)+O(2) reaction mechanism: a combustion archetype.

    Science.gov (United States)

    Wilke, Jeremiah J; Allen, Wesley D; Schaefer, Henry F

    2008-02-21

    The celebrated C(2)H(5)+O(2) reaction is an archetype for hydrocarbon combustion, and the critical step in the process is the concerted elimination of HO(2) from the ethylperoxy intermediate (C(2)H(5)O(2)). Master equation kinetic models fitted to measured reaction rates place the concerted elimination barrier 3.0 kcal mol(-1) below the C(2)H(5)+O(2) reactants, whereas the best previous electronic structure computations yield a barrier more than 2.0 kcal mol(-1) higher. We resolve this discrepancy here by means of the most rigorous computations to date, using focal point methods to converge on the ab initio limit. Explicit computations were executed with basis sets as large as cc-pV5Z and correlation treatments as extensive as coupled cluster through full triples with a perturbative inclusion of quadruple excitations [CCSDT(Q)]. The final predicted barrier is -3.0 kcal mol(-1), bringing the concerted elimination mechanism into precise agreement with experiment. This work demonstrates that higher correlation treatments such as CCSDT(Q) are not only feasible on systems of chemical interest but are necessary to supply accuracy beyond 0.5 kcal mol(-1), which is not obtained with the "gold standard" CCSD(T) method. Finally, we compute the enthalpy of formation of C(2)H(5)O(2) to be Delta(f)H degrees (298 K)=-5.3+/-0.5 kcal mol(-1) and Delta(f)H degrees (0 K)=-1.5+/-0.5 kcal mol(-1).

  15. Characterization Results for the January 2017 H-Tank Farm 2H Evaporator Overhead Sample

    Energy Technology Data Exchange (ETDEWEB)

    Truong, T. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Nicholson, J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-04-11

    This report contains the radioanalytical results of the 2H evaporator overhead sample received at SRNL on January 19, 2017. Specifically, concentrations of 137Cs, 90Sr, and 129I are reported and compared to the corresponding Waste Acceptance Criteria (WAC) limits of the Effluent Treatment Project (ETP) Waste Water Collection Tank (WWCT) (rev. 6). All of the radionuclide concentrations in the sample were found to be in compliance with the ETP WAC limits.

  16. Bis[2-(2H-benzotriazol-2-yl-4-methylphenolato]palladium(II

    Directory of Open Access Journals (Sweden)

    Chen-Yen Tsai

    2009-06-01

    Full Text Available In the title complex, [Pd(C13H10N3O2], the PdII atom is tetracoordinated by two N atoms and two O atoms from two bidentate 2-(2H-benzotriazol-2-yl-4-methylphenolate ligands, forming a square-planar environment. The asymmetric unit contains one half molecule in which the Pd atom lies on a centre of symmetry.

  17. Establishment of the C2H5+O2 reaction mechanism: A combustion archetype

    Science.gov (United States)

    Wilke, Jeremiah J.; Allen, Wesley D.; Schaefer, Henry F.

    2008-02-01

    The celebrated C2H5+O2 reaction is an archetype for hydrocarbon combustion, and the critical step in the process is the concerted elimination of HO2 from the ethylperoxy intermediate (C2H5O2). Master equation kinetic models fitted to measured reaction rates place the concerted elimination barrier 3.0kcalmol-1 below the C2H5+O2 reactants, whereas the best previous electronic structure computations yield a barrier more than 2.0kcalmol-1 higher. We resolve this discrepancy here by means of the most rigorous computations to date, using focal point methods to converge on the ab initio limit. Explicit computations were executed with basis sets as large as cc-pV5Z and correlation treatments as extensive as coupled cluster through full triples with a perturbative inclusion of quadruple excitations [CCSDT(Q)]. The final predicted barrier is -3.0kcalmol-1, bringing the concerted elimination mechanism into precise agreement with experiment. This work demonstrates that higher correlation treatments such as CCSDT(Q) are not only feasible on systems of chemical interest but are necessary to supply accuracy beyond 0.5kcalmol-1, which is not obtained with the "gold standard" CCSD(T) method. Finally, we compute the enthalpy of formation of C2H5O2 to be ΔfH °(298K)=-5.3±0.5kcalmol-1 and ΔfH°(0K)=-1.5±0.5kcalmol-1.

  18. Detection of Interstellar Ethylene Oxide (c-C2H4O)

    Science.gov (United States)

    Dickens, J. E.; Irvine, W. M.; Ohishi, M.; Ikeda, M.; Ishikawa, S.; Nummelin, A.; Hjalmarson, Å.

    1997-11-01

    We report the identification of 10 transitions that support the detection of the small cyclic molecule ethylene oxide (c-C2H4O) in Sgr B2N. Although one of these transitions is severely blended, so that an accurate intensity and line width could not be determined, and two other lines are only marginally detected, we have done Gaussian fits to the remaining seven lines and have performed a rotation diagram analysis. Our results indicate a rotation temperature Trot = 18 K and a molecular column density N(c-C2H4O) = 3.3 × 1014 cm-2, corresponding to a fractional abundance relative to molecular hydrogen of order 6 × 10-11. This is a factor of more than 200 higher than the abundance for this molecule suggested by the ``new standard'' chemistry model of Lee, Bettens, & Herbst. This result suggests that grain chemistry might play an effective role in the production of c-C2H4O. No transitions of this molecule were detected in either Sgr B2M or Sgr B2NW.

  19. Mechanism and kinetics of the reaction NO3 + C2H4.

    Science.gov (United States)

    Nguyen, Thanh Lam; Park, Jaehee; Lee, Kyungjun; Song, Kihyung; Barker, John R

    2011-05-19

    The reaction of NO(3) radical with C(2)H(4) was characterized using the B3LYP, MP2, B97-1, CCSD(T), and CBS-QB3 methods in combination with various basis sets, followed by statistical kinetic analyses and direct dynamics trajectory calculations to predict product distributions and thermal rate constants. The results show that the first step of the reaction is electrophilic addition of an O atom from NO(3) to an olefinic C atom from C(2)H(4) to form an open-chain adduct. A concerted addition reaction mechanism forming a five-membered ring intermediate was investigated, but is not supported by the highly accurate CCSD(T) level of theory. Master-equation calculations for tropospheric conditions predict that the collisionally stabilized NO(3)-C(2)H(4) free-radical adduct constitutes 80-90% of the reaction yield and the remaining products consist mostly of NO(2) and oxirane; the other products are produced in very minor yields. By empirically reducing the barrier height for the initial addition step by 1 kcal mol(-1) from that predicted at the CBS-QB3 level of theory and treating the torsional modes explicitly as one-dimensional hindered internal rotations (instead of harmonic oscillators), the computed thermal rate constants (including quantum tunneling) can be brought into very good agreement with the experimental data for the overall reaction rate constant.

  20. SIRT6 recruits SNF2H to DNA break sites, preventing genomic instability through chromatin remodeling.

    Science.gov (United States)

    Toiber, Debra; Erdel, Fabian; Bouazoune, Karim; Silberman, Dafne M; Zhong, Lei; Mulligan, Peter; Sebastian, Carlos; Cosentino, Claudia; Martinez-Pastor, Barbara; Giacosa, Sofia; D'Urso, Agustina; Näär, Anders M; Kingston, Robert; Rippe, Karsten; Mostoslavsky, Raul

    2013-08-22

    DNA damage is linked to multiple human diseases, such as cancer, neurodegeneration, and aging. Little is known about the role of chromatin accessibility in DNA repair. Here, we find that the deacetylase sirtuin 6 (SIRT6) is one of the earliest factors recruited to double-strand breaks (DSBs). SIRT6 recruits the chromatin remodeler SNF2H to DSBs and focally deacetylates histone H3K56. Lack of SIRT6 and SNF2H impairs chromatin remodeling, increasing sensitivity to genotoxic damage and recruitment of downstream factors such as 53BP1 and breast cancer 1 (BRCA1). Remarkably, SIRT6-deficient mice exhibit lower levels of chromatin-associated SNF2H in specific tissues, a phenotype accompanied by DNA damage. We demonstrate that SIRT6 is critical for recruitment of a chromatin remodeler as an early step in the DNA damage response, indicating that proper unfolding of chromatin plays a rate-limiting role. We present a unique crosstalk between a histone modifier and a chromatin remodeler, regulating a coordinated response to prevent DNA damage.

  1. The application of 2H2O to measure skeletal muscle protein synthesis

    Directory of Open Access Journals (Sweden)

    Fluckey James D

    2010-04-01

    Full Text Available Abstract Skeletal muscle protein synthesis has generally been determined by the precursor:product labeling approach using labeled amino acids (e.g., [13C]leucine or [13C]-, [15N]-, or [2H]phenylalanine as the tracers. Although reliable for determining rates of protein synthesis, this methodological approach requires experiments to be conducted in a controlled environment, and as a result, has limited our understanding of muscle protein renewal under free-living conditions over extended periods of time (i.e., integrative/cumulative assessments. An alternative tracer, 2H2O, has been successfully used to measure rates of muscle protein synthesis in mice, rats, fish and humans. Moreover, perturbations such as feeding and exercise have been included in these measurements without exclusion of common environmental and biological factors. In this review, we discuss the principle behind using 2H2O to measure muscle protein synthesis and highlight recent investigations that have examined the effects of feeding and exercise. The framework provided in this review should assist muscle biologists in designing experiments that advance our understanding of conditions in which anabolism is altered (e.g., exercise, feeding, growth, debilitating and metabolic pathologies.

  2. Preparation and Molecular Structure of (SCZ)(TNPG)·2H2O

    Institute of Scientific and Technical Information of China (English)

    CHEN Hong-Yan; ZHANG Tong-Lai; ZHANG Jian-Guo

    2005-01-01

    The (SCZ)(TNPG)·2H2O prepared by mixing semicarbazide (SCZ) and trinitrophloroglucinol (TNPG) was characterized by elemental analysis and IR measurement, and its crystal structure was determined by X-ray single-crystal diffraction analysis.The crystal belongs to triclinic,0.93966(19), c = 1.1925(2) nm, α = 67.48(3), β = 77.56(3), γ = 78.93(3)°, V = 0.6908(2) nm3, Z = 2,Dc = 1.789 g/cm3, Mr = 373.23, F(000) = 384, S = 0.999 andt(MoKα) = 0.172 mm-1.The final R and wR are 0.0394 and 0.1057 for 1724 observed reflections with I > 2σ(I).It is concluded that (SCZ)(TNPG) 2H2O is an ionic compound composed of a cation SCZ+, an anion TNPG- and two water molecules.The TNPG anion and SCZ+ cation are bonded together by electrostatic attraction and hydrogen bonds, and the compound structure is stable.The thermal decomposition of (SCZ)(TNPG) 2H2O was studied by using TG-DTG and DSC techniques with a heating rate of 10 ℃/min, showing the compound contains one endothermic process of dehydrating stage and two intensive exothermic decomposition stages.The enthalpy of exothermic decomposition reaction is 452.31 kJ/mol.

  3. NMR resonance splitting of urea in stretched hydrogels: proton exchange and (1)H/(2)H isotopologues.

    Science.gov (United States)

    Kuchel, Philip W; Naumann, Christoph; Chapman, Bogdan E; Shishmarev, Dmitry; Håkansson, Pär; Bacskay, George; Hush, Noel S

    2014-10-01

    Urea at ∼12 M in concentrated gelatin gel, that was stretched, gave (1)H and (2)H NMR spectral splitting patterns that varied in a predictable way with changes in the relative proportions of (1)H2O and (2)H2O in the medium. This required consideration of the combinatorics of the two amide groups in urea that have a total of four protonation/deuteration sites giving rise to 16 different isotopologues, if all the atoms were separately identifiable. The rate constant that characterized the exchange of the protons with water was estimated by back-transformation analysis of 2D-EXSY spectra. There was no (1)H NMR spectral evidence that the chiral gelatin medium had caused in-equivalence in the protons bonded to each amide nitrogen atom. The spectral splitting patterns in (1)H and (2)H NMR spectra were accounted for by intra-molecular scalar and dipolar interactions, and quadrupolar interactions with the electric field gradients of the gelatin matrix, respectively.

  4. Angular momentum of the N2H+ cores in the Orion A cloud

    Science.gov (United States)

    Tatematsu, Ken'ichi; Ohashi, Satoshi; Sanhueza, Patricio; Nguyen Luong, Quang; Umemoto, Tomofumi; Mizuno, Norikazu

    2016-04-01

    We have analyzed the angular momentum of the molecular cloud cores in the Orion A giant molecular cloud observed in the N2H+ J = 1-0 line with the Nobeyama 45 m radio telescope. We have measured the velocity gradient using position-velocity diagrams passing through core centers, and made sinusoidal fits against the position angle. Twenty-seven out of 34 N2H+ cores allowed us to measure the velocity gradient without serious confusion. The derived velocity gradient ranges from 0.5 to 7.8 km s-1 pc-1. We marginally found that the specific angular momentum J/M (against the core radius R) of the Orion N2H+ cores tends to be systematically larger than that of molecular cloud cores in cold dark clouds obtained by Goodman et al., in the J/M-R relation. The ratio β of rotational to gravitational energy is derived to be β = 10-2.3±0.7, and is similar to that obtained for cold dark cloud cores in a consistent definition. The large-scale rotation of the ∫-shaped filament of the Orion A giant molecular cloud does not likely govern the core rotation at smaller scales.

  5. Angular Momentum of the N2H+ Cores in the Orion A Cloud

    CERN Document Server

    Tatematsu, Ken'ichi; Sanhueza, Patricio; Luong, Quang Nguyen; Umemoto, Tomofumi; Mizuno, Norikazu

    2016-01-01

    We have analyzed the angular momentum of the molecular cloud cores in the Orion A giant molecular cloud observed in the N2H+ J = 1-0 line with the Nobeyama 45 m radio telescope. We have measured the velocity gradient using position velocity diagrams passing through core centers, and made sinusoidal fitting against the position angle. 27 out of 34 N2H+ cores allowed us to measure the velocity gradient without serious confusion. The derived velocity gradient ranges from 0.5 to 7.8 km/s/pc. We marginally found that the specific angular momentum J/M (against the core radius R) of the Orion N2H+ cores tends to be systematically larger than that of molecular cloud cores in cold dark clouds obtained by Goodman et al., in the J/M-R relation. The ratio beta of rotational to gravitational energy is derived to be beta = 10^{-2.3+/-0.7}, and is similar to that obtained for cold dark cloud cores in a consistent definition. The large-scale rotation of the integral-shaped filament of the Orion A giant molecular cloud does n...

  6. Regulated release of Ca2+ from respiring mitochondria by Ca2+/2H+ antiport.

    Science.gov (United States)

    Fiskum, G; Lehninger, A L

    1979-07-25

    Simultaneous measurements of oxygen consumption and transmembrane transport of Ca2+, H+, and phosphate show that the efflux of Ca2+ from respiring tightly coupled rat liver mitochondria takes place by an electroneutral Ca2+/2H+ antiport process that is ruthenium red-insensitive and that is regulated by the oxidation-reduction state of the mitochondrial pyridine nucleotides. When mitochondrial pyridine nucleotides are kept in a reduced steady state, the efflux of Ca2+ is inhibited; when they are in an oxidized state, Ca2+ efflux is activated. These processes were demonstrated by allowing phosphate-depleted mitochondria respiring on succinate in the presence of rotenone to take up Ca2+ from the medium. Upon subsequent addition of ruthenium red to block Ca2+ transport via the electrophoretic influx pathway, and acetoacetate, to bring mitochondrial pyridine nucleotides into the oxidized state, Ca2+ efflux and H+ influx ensued. The observed H+ influx/Ca2+ efflux ratio was close to the value 2.0 predicted for the operation of an electrically neutral Ca2+/2H+ antiport process.

  7. 2H Stable Isotope Analysis of Tooth Enamel: A Pilot Study

    Science.gov (United States)

    Holobinko, Anastasia; Kemp, Helen; Meier-Augenstein, Wolfram; Prowse, Tracy; Ford, Susan

    2010-05-01

    Stable isotope analysis of biogenic tissues such as tooth enamel and bone mineral has become a well recognized and increasingly important method for determining provenance of human remains, and has been used successfully in bioarchaeological studies as well as forensic investigations (Lee-Thorp, 2008; Meier-Augenstein and Fraser, 2008). Particularly, 18O and 2H stable isotopes are well established proxies as environmental indicators of climate (temperature) and source water and are therefore considered as indicators of geographic life trajectories of animals and humans (Hobson et al., 2004; Schwarcz and Walker, 2006). While methodology for 2H analysis of human hair, fingernails, and bone collagen is currently used to determine geographic origin and identify possible migration patterns, studies involving the analysis of 2H in tooth enamel appear to be nonexistent in the scientific literature. The apparent lack of research in this area is believed to have two main reasons. (1) Compared to the mineral calcium hydroxylapatite Ca10(PO4)6(OH)2, in tooth enamel forming bio-apatite carbonate ions replace some of the hydroxyl ions at a rate of one CO32 replacing two OH, yet published figures for the degree of substitution vary (Wopenka and Pasteris, 2005). (2) Most probably due to the aforementioned no published protocols exist for sample preparation and analytical method to obtain δ2H-values from the hydroxyl fraction of tooth enamel. This dilemma has been addressed through a pilot study to establish feasibility of 2H stable isotope analysis of ground tooth enamel by continuous-flow isotope ratio mass spectrometry (IRMS) coupled on-line to a high-temperature conversion elemental analyzer (TC/EA). An array of archaeological and modern teeth has been analyzed under different experimental conditions, and results from this pilot study are being presented. References: Lee-Thorp, J.A. (2008) Archaeometry, 50, 925-950 Meier-Augenstein, W. and Fraser, I. (2008) Science & Justice

  8. High-frequency observations of δ2H and δ18O in storm rainfall

    Science.gov (United States)

    Stoecker, F.; Klaus, J.; Pangle, L. A.; Garland, C.; McDonnell, J. J.

    2012-12-01

    Stable isotopes ratios of hydrogen (2H/1H) and oxygen (18O/16O) are indispensable tools for investigation of the hydrologic cycle. Recent technological advances with laser spectroscopy now enable high-frequency measurement of key water cycle components. While the controls on rainfall isotope composition have been known generally for some time, our understanding of the effect of inter- and intra-storm processes on fine scale rainfall isotope composition is poorly understood. Here we present a new approach to observe inter- and intra-storm isotope variability in precipitation in high-frequency. We investigate the temporal development of δ2H and δ18O within and between discrete rainstorm. δ2H and δ18O in precipitation was measured from November 2011 to February 2012 in Corvallis, OR using a flow-cell combined with a Liquid Water Isotope Analyzer (LWIA-24d, Los Gatos Research, Inc.). The average sample frequency was 15 samples per hour, resulting in more than 3100 samples during the observation period. 27 separate rainstorms were identified in the dataset based on minimum inter-event time, minimum precipitation depth, and minimum number of isotope measurements. Event meteoric water lines were developed for each event. We observed short-term isotopic patterns (e.g., V-shaped trends), high-rate changes (5.3‰/h) and large absolute changes in isotopic composition (20‰) on intra-event scale. V-shaped trends appeared to be related to individual storm fronts detected by air temperature, cloud heights (NEXRAD radar echo tops) and cloud trajectories (Hybrid Single Particle Lagrangian Integrated Trajectory Model (HYSPLIT)). Despite this, we could detect no linear correlation between event-based isotopic variables (slope, δ2H-intercept, δ2H, δ18O) and the event meteoric water line. Furthermore, the composite event meteoric water line (i.e. the local meteoric water line) showed a wider spread for heavy isotopes than for light isotopes, caused presumably by different

  9. Plasma waves

    CERN Document Server

    Swanson, DG

    1989-01-01

    Plasma Waves discusses the basic development and equations for the many aspects of plasma waves. The book is organized into two major parts, examining both linear and nonlinear plasma waves in the eight chapters it encompasses. After briefly discussing the properties and applications of plasma wave, the book goes on examining the wave types in a cold, magnetized plasma and the general forms of the dispersion relation that characterize the waves and label the various types of solutions. Chapters 3 and 4 analyze the acoustic phenomena through the fluid model of plasma and the kinetic effects. Th

  10. Plasma astrophysics

    CERN Document Server

    Kaplan, S A; ter Haar, D

    2013-01-01

    Plasma Astrophysics is a translation from the Russian language; the topics discussed are based on lectures given by V.N. Tsytovich at several universities. The book describes the physics of the various phenomena and their mathematical formulation connected with plasma astrophysics. This book also explains the theory of the interaction of fast particles plasma, their radiation activities, as well as the plasma behavior when exposed to a very strong magnetic field. The text describes the nature of collective plasma processes and of plasma turbulence. One author explains the method of elementary

  11. Comparative Shock-Tube Study of Autoignition and Plasma-Assisted Ignition of C2-Hydrocarbons

    Science.gov (United States)

    Kosarev, Ilya; Kindysheva, Svetlana; Plastinin, Eugeny; Aleksandrov, Nikolay; Starikovskiy, Andrey

    2015-09-01

    The dynamics of pulsed picosecond and nanosecond discharge development in liquid water, ethanol and hexane Using a shock tube with a discharge cell, ignition delay time was measured in a lean (φ = 0.5) C2H6:O2:Ar mixture and in lean (φ = 0.5) and stoichiometric C2H4:O2:Ar mixtures with a high-voltage nanosecond discharge and without it. The measured results were compared with the measurements made previously with the same setup for C2H6-, C2H5OH- and C2H2-containing mixtures. It was shown that the effect of plasma on ignition is almost the same for C2H6, C2H4 and C2H5OH. The reduction in time is smaller for C2H2, the fuel that is well ignited even without the discharge. Autoignition delay time was independent of the stoichiometric ratio for C2H6 and C2H4, whereas this time in stoichiometric C2H2- and C2H5OH-containing mixtures was noticeably shorter than that in the lean mixtures. Ignition after the discharge was not affected by a change in the stoichiometric ratio for C2H2 and C2H4, whereas the plasma-assisted ignition delay time for C2H6 and C2H5OH decreased as the equivalence ratio changed from 1 to 0.5. Ignition delay time was calculated in C2-hydrocarbon-containing mixtures under study by simulating separately discharge and ignition processes. Good agreement was obtained between new measurements and calculated ignition delay times.

  12. Peak effect studies in single crystals CeRu2 and 2H-NbS2

    Indian Academy of Sciences (India)

    A A Tulapurkar; A K Grover; S Ramakrishnan; A Niazi; A K Rastogi

    2002-05-01

    We have studied the peak effect (PE) phenomenon in single crystals of weakly pinned superconductors CeRu2 and 2H-NbS2. 2H-NbS2 is iso-structural and iso-electronic to 2H-NbSe2, whose similarity with CeRu2 as regards the PE representing the order-to-disorder transformation of the flux line lattice was claimed some time ago. We report on the step change in equilibrium magnetization across the peak effect in CeRu2. We also present the vortex phase diagram of 2H-NbS2 obtained from the magnetization data, and compare the PE phenomenon in 2H-NbS2 and 2H-NbSe2.

  13. Plasma Assisted Combustion Mechanism for Small Hydrocarbons

    Science.gov (United States)

    2015-01-01

    O2 C2H6 C2H4 CH3OH iso‐propane CO2 C3H8 C3H6 C2H5OH neo‐pentane H2O C4H10 CH3OCH3  DME O3 C5H12 Ar H2 N2O PAC  Kinetic  Mechanism  O(-)+N(+)=N+O... Kinetic  Model:  Previous Versions D.V.Zatsepin, S.M.Starikovskaia, A.Yu.Starikovskii Hydrogen oxidation in a  stoichiometric hydrogen‐air mixtures in the... Kinetics  of ignition of saturated hydrocarbons by nonequilibrium plasma: C2H6‐ to C5H12‐containing mixtures. Combustion and Flame 156  (2009) 221–233

  14. FORMATION OF CARBON NANOSTRUCTURES USING ACETYLENE, ARGON-ACETYLENE AND ARGON-HYDROGEN-ACETYLENE PLASMAS

    OpenAIRE

    Marcinauskas, Liutauras; Grigonis, Alfonsas; Valincius, Vitas

    2013-01-01

    The amorphous carbon films were deposited on silicon-metal substrates by plasma jet chemical vapor deposition (PJCVD) and plasma enchanted CVD (PECVD). PJCVD carbon films have been prepared at atmospheric pressure in argon-acetylene and argon-hydrogen-acetylene plasma mixtures. The films deposited in Ar-C2H2 plasma are attributed to graphite-like carbon films. The formation of the nanocrystalline graphite was obtained in Ar-H2-C2H2 plasma. Addition of the hydrogen gas lead to the ...

  15. Validation of SCALE (SAS2H) Isotopic Predictions for BWR Spent Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Hermann, O.W.

    1998-01-01

    Thirty spent fuel samples obtained from boiling-water-reactor (BWR) fuel pins have been modeled at Oak Ridge National Laboratory using the SAS2H sequence of the SCALE code system. The SAS2H sequence uses transport methods combined with the depletion and decay capabilities of the ORIGEN-S code to estimate the isotopic composition of fuel as a function of its burnup history. Results of these calculations are compared with chemical assay measurements of spent fuel inventories for each sample. Results show reasonable agreement between measured and predicted isotopic concentrations for important actinides; however, little data are available for most fission products considered to be important for spent fuel concerns (e.g., burnup credit, shielding, source-term calculations, etc.). This work is a follow-up to earlier works that studied the ability to predict spent fuel compositions in pressurized-water-reactor (PWR) fuel pins. Biases and uncertainties associated with BWR isotopic predictions are found to be larger than those of PWR calculations. Such behavior is expected, as the operation of a BWR is significantly more complex than that of a PWR plant, and in general the design of a BWR has a more heterogeneous configuration than that of a PWR. Nevertheless, this work shows that the simple models employed using SAS2H to represent such complexities result in agreement to within 5% (and often less than 1%) or less for most nuclides important for spent fuel applications. On the other hand, however, the set of fuel samples analyzed represent a small subset of the BWR fuel population, and results reported herein may not be representative of the full population of BWR spent fuel.

  16. Validation of SCALE (SAS2H) isotopic predictions for BWR spent fuel

    Energy Technology Data Exchange (ETDEWEB)

    Hermann, O.W.; DeHart, M.D.

    1998-09-01

    Thirty spent fuel samples obtained from boiling-water-reactor (BWR) fuel pins have been modeled at Oak Ridge National Laboratory using the SAS2H sequence of the SCALE code system. The SAS2H sequence uses transport methods combined with the depletion and decay capabilities of the ORIGEN-S code to estimate the isotopic composition of fuel as a function of its burnup history. Results of these calculations are compared with chemical assay measurements of spent fuel inventories for each sample. Results show reasonable agreement between measured and predicted isotopic concentrations for important actinides; however, little data are available for most fission products considered to be important for spent fuel concerns (e.g., burnup credit, shielding, source-term calculations, etc.). This work is a follow-up to earlier works that studied the ability to predict spent fuel compositions in pressurized-water-reactor (PWR) fuel pins. Biases and uncertainties associated with BWR isotopic predictions are found to be larger than those of PWR calculations. Such behavior is expected, as the operation of a BWR is significantly more complex than that of a PWR plant, and in general the design of a BWR has a more heterogeneous configuration than that of a PWR. Nevertheless, this work shows that the simple models employed using SAS2H to represent such complexities result in agreement to within 5% (and often less than 1%) or less for most nuclides important for spent fuel applications. On the other hand, however, the set of fuel samples analyzed represent a small subset of the BWR fuel population, and results reported herein may not be representative of the full population of BWR spent fuel.

  17. Structural and magnetic transformations in NdMn{sub 2}H{sub x} hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Budziak, A., E-mail: andrzej.budziak@ifj.edu.pl [H. Niewodniczanski Institute of Nuclear Physics PAN, ul. Radzikowskiego 152, 31-342 Krakow (Poland); Zachariasz, P. [Faculty of Physics and Applied Computer Science, AGH, University of Science and Technology, al. Mickiewicza 30, 30-059 Krakow (Poland); Pelka, R. [The H. Niewodniczanski Institute of Nuclear Physics PAN, ul. Radzikowskiego 152, 31-342 Krakow (Poland); Figiel, H.; Zukrowski, J.; Woch, M.W. [Faculty of Physics and Applied Computer Science, AGH, University of Science and Technology, al. Mickiewicza 30, 30-059 Krakow (Poland)

    2012-06-05

    Highlights: Black-Right-Pointing-Pointer Full structural phase diagram is presented for the NdMn{sub 2}H{sub x} (2.0 {<=} x {<=} 4.0) hydrides in the temperature range of 70-385 K. Black-Right-Pointing-Pointer For samples x = 2.0, 2.5, and 4.0 a splitting into two phases with different hydrogen concentrations are observed. Black-Right-Pointing-Pointer Only for samples with x = 3.0 and 3.5 no spinodal decompositions are detected. Black-Right-Pointing-Pointer The effects of hydrogen absorption on structural properties are shown to be reflected in magnetic behavior. Black-Right-Pointing-Pointer A huge jump of magnetic ordering temperatures from {approx}104 K for host NdMn{sub 2} to above 200 K for its hydrides is observed or anticipated. - Abstract: X-ray powder diffraction and bulk magnetization measurements were used to study structural and magnetic properties of hydrides NdMn{sub 2}H{sub x} (2.0 {<=} x {<=} 4.0). The X-ray investigations performed in the temperature range 70-385 K have revealed many structural transformations at low temperatures. In particular, a transformation from the hexagonal to the monoclinic phase and spinodal decompositions were observed. The magnetic behavior of the hydrides is correlated with the structural transitions. A tentative structural diagram is presented. The obtained results are compared with the properties of other cubic and hexagonal RMn{sub 2}H{sub x} hydrides.

  18. Volume-discharge formed in SF6 and C2H6 mixtures without preionization

    Science.gov (United States)

    Zhang, Ge; Ke, Changjun; Zhang, Shujuan

    2014-11-01

    A new approach to obtain glow discharge in working mixtures of non-chain HF laser has been brought forward. The most advantage of the approach is without pre-ionization, so the contamination of pre-ionization will not happen and the laser equipment is compact and simple. It is found, if the cathode surface is equally rough, we can obtain uniform volume-discharge in SF6 mixtures without any pre-ionization, and dispense with uniform electric field electrode profile. The form of Self-Sustained Volume Discharge (SSVD) is a Self-Initiated Volume Discharge (SIVD). We show here the possibility of obtaining SIVD with a uniform energy deposition in a system of electrodes with non-uniform electric field. Experiments show that, with rough cathode and even anode, a volume discharge is forming in non-uniform electric-field without pre-ionization in SF6 and C2H6 mixtures. At the beginning of the discharge, many diffuse channels attached to bright circular cathode spots, then, diverge towards the anode, with the channels overlapping, form a spatially uniform glow discharge. SIVD has been performed at a total mixture pressure up to 8kPa and energy deposition up to 200J/l. We also report measurements of the V-I characteristics of SIVD with SF6 and C2H6 mixtures at pressure up to about 8kPa. The experimental results indicate that SSVD in SF6 and C2H6 mixtures develops in the form of SIVD is promising for creation of high energy and pulse-periodic HF laser.

  19. Investigation of multiaxial molecular dynamics by 2H MAS NMR spectroscopy.

    Science.gov (United States)

    Kristensen, J H; Hoatson, G L; Vold, R L

    1998-11-01

    The technique of 2H MAS NMR spectroscopy is presented for the investigation of multiaxial molecular dynamics. To evaluate the effects of discrete random reorientation a Lie algebraic formalism based on the stochastic Liouville-von Neumann equation is developed. The solution to the stochastic Liouville-von Neumann equation is obtained both in the presence and absence of rf irradiation. This allows effects of molecular dynamics to be evaluated during rf pulses and extends the applicability of the formalism to arbitrary multiple pulse experiments. Theoretical methods are presented for the description of multiaxial dynamics with particular emphasis on the application of vector parameters to represent molecular rotations. Numerical time and powder integration algorithms are presented that are both efficient and easy to implement computationally. The applicability of 2H MAS NMR spectroscopy for investigating molecular dynamics is evaluated from theoretical spectra. To demonstrate the potential of the technique the dynamics of thiourea-2H4 is investigated experimentally. From a series of variable temperature MAS and quadrupole echo spectra it has been found that the dynamics can be described by composite rotation about the CS and CN bonds. Both experiments are sensitive to the fast CS rotation which is shown to be described by the Arrhenius parameters E(CS) = 46.4 +/- 2.3 kJ mol(-1) and ln(A(CS))= 32.6 +/- 0.9. The MAS experiment represents a significant improvement by simultaneously allowing the dynamics of the slow CN rotation to be fully characterized in terms of E(CN) = 56.3 +/- 3.4 kJ mol(-1) and ln(A(CN)) = 25.3 +/- 1.1.

  20. Hydrogen dynamics in soil organic matter as determined by 13C and 2H labeling experiments

    Science.gov (United States)

    Paul, Alexia; Hatté, Christine; Pastor, Lucie; Thiry, Yves; Siclet, Françoise; Balesdent, Jérôme

    2016-12-01

    Understanding hydrogen dynamics in soil organic matter is important to predict the fate of 3H in terrestrial environments. One way to determine hydrogen fate and to point out processes is to examine the isotopic signature of the element in soil. However, the non-exchangeable hydrogen isotopic signal in soil is complex and depends on the fate of organic compounds and microbial biosyntheses that incorporate water-derived hydrogen. To decipher this complex system and to understand the close link between hydrogen and carbon cycles, we followed labeled hydrogen and labeled carbon throughout near-natural soil incubations. We performed incubation experiments with three labeling conditions: 1 - 13C2H double-labeled molecules in the presence of 1H2O; 2 - 13C-labeled molecules in the presence of 2H2O; 3 - no molecule addition in the presence of 2H2O. The preservation of substrate-derived hydrogen after 1 year of incubation (ca. 5 % in most cases) was lower than the preservation of substrate-derived carbon (30 % in average). We highlighted that 70 % of the C-H bonds are broken during the degradation of the molecule, which permits the exchange with water hydrogen. Added molecules are used more for trophic resources. The isotopic composition of the non-exchangeable hydrogen was mainly driven by the incorporation of water hydrogen during microbial biosynthesis. It is linearly correlated with the amount of carbon that is degraded in the soil. The quantitative incorporation of water hydrogen in bulk material and lipids demonstrates that non-exchangeable hydrogen exists in both organic and mineral-bound forms. The proportion of the latter depends on soil type and minerals. This experiment quantified the processes affecting the isotopic composition of non-exchangeable hydrogen, and the results can be used to predict the fate of tritium in the ecosystem or the water deuterium signature in organic matter.

  1. Structural and magnetic transformations in the GdMn{sub 2}H{sub x} hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Zukrowski, J.; Figiel, H. E-mail: figiel@uci.agh.edu.pl; Budziak, A.; Zachariasz, P.; Fischer, G.; Dormann, E

    2002-01-01

    Powder samples of GdMn{sub 2}H{sub x} hydrides, with 0{<=}x{<=}4.3, have been characterized by X-ray analysis and SQUID magnetometry for temperatures ranging between 4 and 375 K. The observed phase transformations as a function of temperature and hydrogen concentration are discussed and explained. The correlated changes of magnetization and susceptibility have been analyzed and the temperature dependent development of magnetic ordering of Mn and Gd atoms as a function of temperature and hydrogen content has been discussed. The structural and magnetic phase diagrams have been proposed.

  2. Crystal structure of 3-(2,2-dibromoacetyl-4-hydroxy-2H-chromen-2-one

    Directory of Open Access Journals (Sweden)

    Ameni Brahmia

    2015-02-01

    Full Text Available The title compound, C11H6Br2O4, is a new coumarin derivative obtained from the reaction of 3-acetyl-4-hydroxy-2H-chromen-2-one with bromine in acetic acid. The hydroxyl group in involved in an intramolecular O—H...O hydrogen bond. In the crystal, π–π interactions between the rings of the bicycle [intercentroid distances = 3.498 (2 and 3.539 (2 Å] pack molecules into stacks along the b axis, and weak intermolecular C—H...O hydrogen bonds further link these stacks into layers parallel to the ab plane.

  3. Charge transfer in energetic Li2+-H and He+-He+ collisions

    Science.gov (United States)

    Mančev, I.

    2009-02-01

    The total cross sections for charge transfer in Li2+-H and He+-He+ collisions have been calculated, using the four body first Born approximation with correct boundary conditions (CB1-4B) and four body continuum distorted wave method (CDW-4B) in the energy range 10-5000 keV/amu. The role of dynamic electron correlations is examined as a function of the impact energy. The present results call for additional experimental data at higher impact energies than presently available.

  4. (7-Chloro-2-oxo-2H-chromen-4-ylmethyl diethylcarbamodithioate

    Directory of Open Access Journals (Sweden)

    T. G. Meenakshi

    2013-09-01

    Full Text Available In the title compound, C15H16ClNO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.023 (2 Å. In the crystal, C—H...O hydrogen bonds give R21(7 motifs, which generate [100] chains. C—H...π and π–π interactions between chromene moieties [shortest ring centroid–centroid distance = 3.6199 (13 Å] consolidate the packing.

  5. 3-Acetyl-4-hydroxy-6,7-dimethyl-2H-chromen-2-one

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2010-12-01

    Full Text Available In the title coumarin derivative, C13H12O4, the 2H-chromene ring system is essentially planar [maximum deviation = 0.047 (1 Å]. An intramolecular hydrogen bond is observed between the hydroxy and the ketonic O atoms. In the crystal, pairs of intermolecular C—H...O hydrogen bonds link inversion-related molecules into dimers. Additional intermolecular C—H...O hydrogen bonds further interconnect these dimers into two-dimensional arrays incorporating R22(9 ring motifs.

  6. Relativistic model of 2p-2h meson exchange currents in (anti)neutrino scattering

    CERN Document Server

    Simo, I Ruiz; Barbaro, M B; De Pace, A; Caballero, J A; Donnelly, T W

    2016-01-01

    We develop a model of relativistic, charged meson-exchange currents (MEC) for neutrino-nucleus interactions. The two-body current is the sum of seagull, pion-in-flight, pion-pole and $\\Delta$-pole operators. These operators are obtained from the weak pion-production amplitudes for the nucleon derived in the non-linear $\\sigma$-model together with weak excitation of the $\\Delta(1232)$ resonance and its subsequent decay into $N\\pi$. With these currents we compute the five 2p-2h response functions contributing to $(\

  7. Measurement of Magnetization Curve and Magnetic Relaxation for 2H-NbSe2 Crystals

    Institute of Scientific and Technical Information of China (English)

    Zhang Ning; Liu Hai-lin; Yu Zhu-xing; Xiong Rui; Shi Jing

    2004-01-01

    The characteristics of electronic transport properties: behaviors of magnetization curve and magnetic relaxation of a typical normal superconductor 2H-NbSe2 are investigated. The results show that TCand ΔTC of the samples are 7.2,0.18 K, indicating that superconducting energy gap at zero temperature is 1.1 meV. No fish tail shape is found in the magnetization curves at several temperatures. The relationship between remnant magnetic moment and time reveals that the magnetic flux creep of the sample agrees with the Kim-Anderson thermal activation model with the relaxation rate S=0.000 36 at T=6 K.

  8. Theoretical Studies on the Abstraction Reaction of Atomic O(3p) with Si2H6

    Institute of Scientific and Technical Information of China (English)

    QingZhuZHANG; ChunShengWANG; 等

    2002-01-01

    The hydrogen abstraction reaction of O(3P) with Si2H6 has been studied theoretially. Two transition states of 3A″ and 3A′ symmetries have been located for this abstraction reaction. Geometries have been optimized at the UMP2 leve with 6-311G+(d) basis set. G3MP2 has been used for the final single-point energy calculation. The rate constants have been calculated over a wide temperature range of 200-3000K using canonical variational transition-state sheory (CVT) with small curvature tunneling effect(SCT). The calculated CVT/SCT rate constants match well with the experimental value.

  9. 3-(3,4-Dihydroxyphenyl-8-hydroxy-2H-chromen-2-one

    Directory of Open Access Journals (Sweden)

    Ivan Svinyarov

    2015-10-01

    Full Text Available We report a novel protocol for the synthesis of 3-(3,4-dihydroxyphenyl-8-hydroxy-2H-chromen-2-one via demethylation/delactonization/elimination/lactonization/ decarboxylation domino reaction sequence of diastereomeric mixture of cis- and trans-3-(2,3-dimethoxyphenyl-6,7-dimethoxy-1-oxoisochroman-4-carboxylic acids in boiling HBr/AcOH. The structure of the target compound was established for the first time by means of spectral methods such as 1H-, 13C-, DEPT-135-NMR, IR and HRMS.

  10. CO2-H2O和CO2-H2O-NaCl体系的相平衡研究进展%Progress in the Study on the Phase Equilibria of the CO2-H2O and CO2-H2O-NaCl Systems

    Institute of Scientific and Technical Information of China (English)

    吉远辉; 吉晓燕; 冯新; 刘畅; 吕玲红; 陆小华

    2007-01-01

    To study the feasibility of CO2 geological sequestration, it is needed to understand the complicated multiple-phase equilibrium and the densities of aqueous solution with CO2 and multi-ions under wide geological conditions (273.15 473.15K, 0-60MPa), which are also essential for designing separation equipments in chemical or oil-related industries.For this purpose, studies on the relevant phase equilibria and densities are reviewed and analyzed and the method to improve or modify the existing model is suggested in order to obtain more reliable predictions in a wide temperature and pressure range.Besides, three different models (the electrolyte non random twoliquid (ELECNRTL), the electrolyte NRTL combining with Helgeson model (ENRTL-HG), Pitzer activity coefficient model combining with Helgeson model (PITZ-HG) are used to calculate the vapor-liquid phase equilibrium of CO2-H2O and CO2-H2O-NaCl systems.For CO2-H2O system, the calculation results agree with the experimental data very well at low and medium pressure (0-20MPa), but there are great discrepancies above 20MPa.For the water content at 473.15K, the calculated results agree with the experimental data quite well.For the CO2-H2O-NaCl system, the PITZ-HG model show better results than ELECNRTL and ENRTL-HG models at the NaCI concentration of 0.52mol·L-1.Bur for the NaCl concentration of 3.997mol·L-1,using the ELECNRTL and ENRTL-HG models gives better results than using the PITZ-HG model.It is shown that available experimental data and the thermodynamic calculations can satisfy the needs of the calculation of the sequestration capacity in the temperature and pressure range for disposal of CO2 in deep saline aquifers.More experimental data and more accurate thermodynamic calculations are needed in high temperature and pressure ranges (above 398.15K and 31.5MPa).

  11. Characterization Results for the 2014 HTF 3H & 2H Evaporator Overhead Samples

    Energy Technology Data Exchange (ETDEWEB)

    Washington, A. [Savannah River Site (SRS), Aiken, SC (United States)

    2015-05-11

    This report tabulates the radiochemical analysis of the 3H and 2H evaporator overhead samples for 137Cs, 90Sr, and 129I to meet the requirements in the Effluent Treatment Project (ETP) Waste Acceptance Criteria (WAC) (rev. 6). This report identifies the sample receipt date, preparation method, and analysis performed in the accumulation of the listed values. All data was found to be within the ETP WAC (rev. 6) specification for the Waste Water Collection Tanks (WWCT).

  12. Methyl N-{4-[(4-methoxyphenoxymethyl]-2-oxo-2H-chromen-7-yl}carbamate

    Directory of Open Access Journals (Sweden)

    K. Mahesh Kumar

    2012-06-01

    Full Text Available In the title compound, C19H17NO6, the dihedral angle between the 2H-chromene ring system and benzene ring is 5.34 (6°. A short intramolecular C—H...O contact occurs. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating C(8 chains propagating in [010]. The chains are linked by C—H...O interactions and the packing also exhibits π–π stacking interactions between benzene and pyran rings, with a centroid–centroid distance of 3.676 (9 Å.

  13. Study of the tau- --> 3h-2h+nu Decay

    CERN Document Server

    Aubert, B; Boutigny, D; Couderc, F; Karyotakis, Yu; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Graugès-Pous, E; Palano, A; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, Michael T; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Schröder, T; Steinke, M; Boyd, J T; Chevalier, N; Cottingham, W N; Kelly, M P; Latham, T E; Wilson, F F; Çuhadar-Dönszelmann, T; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Thiessen, D; Khan, A; Kyberd, P; Teodorescu, L; Blinov, A E; Blinov, V E; Druzhinin, V P; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bruinsma, M; Chao, M; Eschrich, I; Kirkby, D; Lankford, A J; Mandelkern, M A; Mommsen, R K; Röthel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Weinstein, A J R; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; Del Re, D; Hadavand, H K; Hill, E J; MacFarlane, D B; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Yang, S; Jayatilleke, S M; Mancinelli, G; Meadows, B T; Sokoloff, M D; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Ruddick, W O; Smith, J G; Ulmer, K A; Zhang, J; Zhang, L; Chen, A; Eckhart, E A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Spaan, B; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Lacker, H M; Nogowski, R; Otto, S; Petzold, A; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Bernard, D; Bonneaud, G R; Grenier, P; Schrenk, S; Thiebaux, C; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Sarti, A; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; De Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Crosetti, G; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Won, E; Dubitzky, R S; Langenegger, U; Marks, J; Uwer, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Charles, M J; Grenier, G J; Mallik, U; Cochran, J; Crawley, H B; Lamsa, J; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Yi, J; Arnaud, N; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Le Diberder, F R; Lepeltier, V; Lutz, A M; Petersen, T C; Plaszczynski, S; Schune, M H; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Coleman, J P; Forster, I J; Fry, J R; Gabathuler, Erwin; Gamet, R; Hutchcroft, D E; Parry, R J; Payne, D J; Touramanis, C; Cormack, C M; Di Lodovico, F; Brown, C L; Cowan, G; Flack, R L; Flächer, H U; Green, M G; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Winter, M A; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Hodgkinson, M C; Lafferty, G D; Williams, J C; Chen, C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Stängle, H; Willocq, S; Cowan, R; Koeneke, K; Sciolla, G; Sekula, S J; Taylor, F; Yamamoto, R K; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L M; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Nicholson, H; Cavallo, N; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; LoSecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonian, R; Wong, Q K; Brau, J E; Frey, R; Igonkina, O; Lu, M; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; La Vaissière, C de; Del Buono, L; Hamon, O; John, M J J; Leruste, P; Malcles, J; Ocariz, J; Roos, L; Therin, G; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Biasini, M; Covarelli, R; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Simi, G; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Danielson, N; Elmer, P; Lau, Y P; Lü, C; Miftakov, V; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Pierini, M; Piredda, G; Polci, F; Safai-Tehrani, F; Voena, C; Christ, S; Schröder, H; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B J; Gopal, G P; Olaiya, E O; Aleksan, Roy; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P F; Hamel de Monchenault, G; Kozanecki, Witold; Legendre, M; London, G W; Mayer, B; Schott, G; Vasseur, G; Yéche, C; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Abe, T; Allen, M; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmüller, O L; Claus, R; Convery, M R; Cristinziani, M; De Nardo, Gallieno; Dingfelder, J C; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W M; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hrynóva, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Lüth, V; Lynch, H L; Marsiske, H; Messner, R; Müller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Soha, A; Stelzer, J; Strube, J; Su, D; Sullivan, M K; Thompson, J; Vavra, J; Wagner, S R; Weaver, M; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Young, C C; Burchat, Patricia R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Ahmed, M; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Saleem, M; Wappler, F R; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Kim, H; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bóna, M; Gallo, F; Gamba, D; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vitale, L; Vuagnin, G; Martínez-Vidal, F; Panvini, R S; Banerjee, S; Bhuyan, B; Brown, C M; Fortin, D; Jackson, P D; Kowalewski, R V; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Mohanty, G B; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Flood, K T; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mihályi, A; Pan, Y; Prepost, R; Tan, P; Von Wimmersperg-Töller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2005-01-01

    The branching fraction of the tau- --> 3h- 2h+ nu decay (h= pi, kaon) is measured with the BaBar detector to be (8.56 +/- 0.05 +/- 0.42)E-04 where the first error is statistical and the second systematic. The observed structure of this decay is significantly different from the phase space prediction, with the rho resonance playing a strong role. The decay tau- --> f1 pi nu with the f1 meson decaying to four charged pions, is observed and the branching fraction is measured to be (3.9 +/- 0.7 +/- 0.5)E-04.

  14. Multicomponent Synthesis of 3,6-Dihydro-2H-1,3-thiazine-2-thiones

    OpenAIRE

    Frans J. J. de Kanter; Eelco Ruijter; Orru, Romano V A; Madeleine Helliwell; Elwin Janssen; Marten L. Ploeger; Art Kruithof

    2012-01-01

    Non-fused 3,6-dihydro-2H-1,3-thiazine-2-thiones constitute a so far rather unexplored class of compounds, with the latest report dating back more than two decades. Thiazine-2-thiones contain an endocyclic dithiocarbamate group, which is often found in pesticides, in substrates for radical chemistry and in synthetic intermediates towards thioureas and amidines. We now report the multicomponent reaction (MCR) of in situ-generated 1-azadienes with carbon disulfide. With this reaction, a one-step...

  15. Study of n-n correlations in d + 2H --> p + p + n + n reaction

    CERN Document Server

    Konobeevsky, E; Mordovskoy, M; Zuyev, S; Lebedev, V; Spassky, A

    2016-01-01

    A kinematically complete measurement of the four-body breakup reaction d+2H-->2ps+2ns --> p +p +n +n has been performed at 15 MeV deuteron beam of the SINP MSU. The two protons and neutron were detected at angles close to those of emission of 2ps and 2ns systems. The energy of singlet dineutron state was determined by comparing experimental TOF spectrum of breakup neutrons with simulated spectra depending on this energy. A low value Enn = 0.076 +/- 0.006 keV obtained by fitting procedure apparently indicates an effective enhancement of nn-interaction in the intermediate state of studied reaction.

  16. IR multiple-photon excitation of C2H5F and 1,1-C2H4F2 near dissociation threshold: vibrational emissions from parent and product species

    Energy Technology Data Exchange (ETDEWEB)

    Caballero, J.F.; Wittig, C.

    1981-08-15

    The IR multiple photon excitation and dissociation of C2H5F and 1,1-C2H4F2 has been studied by monitoring vibrational fluorescence in the region 2000-4000 cm following excitation with the focused output from a CO2 TEA laser. 21 references, 2 figures.

  17. Metabolism of (1-(13)C) glucose and (2-(13)C, 2-(2)H(3)) acetate in the neuronal and glial compartments of the adult rat brain as detected by [(13)C, (2)H] NMR spectroscopy.

    Science.gov (United States)

    Chapa, F; Cruz, F; García-Martín, M L; García-Espinosa, M A; Cerdán, S

    2000-01-01

    Ex vivo ¿(13)C, (2)H¿ NMR spectroscopy allowed to estimate the relative sizes of neuronal and glial glutamate pools and the relative contributions of (1-(13)C) glucose and (2-(13)C, 2-(2)H(3)) acetate to the neuronal and glial tricarboxylic acid cycles of the adult rat brain. Rats were infused during 60 min in the right jugular vein with solutions containing (2-(13)C, 2-(2)H(3)) acetate and (1-(13)C) glucose or (2-(13)C, 2-(2)H(3)) acetate only. At the end of the infusion the brains were frozen in situ and perchloric acid extracts were prepared and analyzed by high resolution (13)C NMR spectroscopy (90.5 MHz). The relative sizes of the neuronal and glial glutamate pools and the contributions of acetyl-CoA molecules derived from (2-(13)C, (2)H(3)) acetate or (1-(13)C) glucose entering the tricarboxylic acid cycles of both compartments, could be determined by the analysis of (2)H-(13)C multiplets and (2)H induced isotopic shifts observed in the C4 carbon resonances of glutamate and glutamine. During the infusions with (2-(13)C, 2-(2)H(3)) acetate and (1-(13)C) glucose, the glial glutamate pool contributed 9% of total cerebral glutamate being derived from (2-(13)C, 2-(2)H(3)) acetyl-CoA (4%), (2-(13)C) acetyl-CoA (3%) and recycled (2-(13)C, 2-(2)H) acetyl-CoA (2%). The neuronal glutamate pool accounted for 91% of the total cerebral glutamate being mainly originated from (2-(13)C) acetyl-CoA (86%) and (2-(13)C, 2-(2)H) acetyl-CoA (5%). During the infusions of (2-(13)C, 2-(2)H(3)) acetate only, the glial glutamate pool contributed 73% of the cerebral glutamate, being derived from (2-(13)C, 2-(2)H(3)) acetyl-CoA (36%), (2-(13)C, 2-(2)H) acetyl-CoA (27%) and (2-(13)C) acetyl-CoA (10%). The neuronal pool contributed 27% of cerebral glutamate being formed from (2-(13)C) acetyl-CoA (11%) and recycled (2-(13)C, 2-(2)H) acetyl-CoA (16%). These results illustrate the potential of ¿(13)C, (2)H¿ NMR spectroscopy as a novel approach to investigate substrate selection and

  18. B cell depletion inhibits spontaneous autoimmune thyroiditis in NOD.H-2h4 mice.

    Science.gov (United States)

    Yu, Shiguang; Dunn, Robert; Kehry, Marilyn R; Braley-Mullen, Helen

    2008-06-01

    B cells are important for the development of most autoimmune diseases. B cell depletion immunotherapy has emerged as an effective treatment for several human autoimmune diseases, although it is unclear whether B cells are necessary for disease induction, autoantibody production, or disease progression. To address the role of B cells in a murine model of spontaneous autoimmune thyroiditis (SAT), B cells were depleted from adult NOD.H-2h4 mice using anti-mouse CD20 mAb. Anti-CD20 depleted most B cells in peripheral blood and cervical lymph nodes and 50-80% of splenic B cells. Flow cytometry analysis showed that marginal zone B cells in the spleen were relatively resistant to depletion by anti-CD20, whereas most follicular and transitional (T2) B cells were depleted after anti-CD20 treatment. When anti-CD20 was administered before development of SAT, development of SAT and anti-mouse thyroglobulin autoantibody responses were reduced. Anti-CD20 also reduced SAT severity and inhibited further increases in anti-mouse thyroglobulin autoantibodies when administered to mice that already had autoantibodies and thyroid inflammation. The results suggest that B cells are necessary for initiation as well as progression or maintenance of SAT in NOD.H-2h4 mice.

  19. New 2-Imino-2H-Chromene-3(N-aryl)carboxamides as Potential Cytotoxic Agents.

    Science.gov (United States)

    Gill, Rupinder Kaur; Kumari, Jyoti; Bariwal, Jitender

    2017-01-01

    Synthesis and structure activity relationships of four series of novel 2-imino-2H-chromene-3(N-aryl) carboxamides (V-VIII) have been described by bioisosteric replacement of usually present ketone at 2nd position of coumarin with imine. Various substitutents are introduced on aryl and chromene ring of iminocoumarin to investigate the effect of lipophilicity and electronic properties of substituents on cytotoxic activity against four human cancer cell lines. Novel 2-imino-2H-chromene-3(N-aryl)carboxamides (V-VIII) were synthesized by the reaction of substituted 2- cyanoacetamides with different salicyaldehydes in the presence of sodium acetate in glacial acetic acid. Compound VIa showed potent activity against MCF-7 (IC50 = 8.5 μM), PC-3 (IC50 = 35.0 μM), A-549 (IC50 = 0.9 μM) and Caco-2 (IC50 = 9.9 μM) cell lines. The anticancer results revealed that most of the synthesized compounds showed equipotent activity with the standard 5-fluorouracil and docetaxel on Caco-2 and MCF-7 cell lines, respectively.

  20. A Forward Chemical Screen Using Zebrafish Embryos with Novel 2-Substituted 2H-Chromene Derivatives

    Science.gov (United States)

    Torregroza, Ingrid; Evans, Todd; Das, Bhaskar C.

    2011-01-01

    We synthesized 2-substituted 2H-chromene derivatives from salicylaldehyde using potassium vinylic borates in the presence of secondary amines. Our goal was to generate novel compounds that might modulate transforming growth factor-β signaling, based on limited rational design. Potassium vinyl trifluoroborates react with salicylaldehydes at 80 °C in the presence of a secondary amine and produce 2-substituted 2H-chromene derivatives with a 70–90% yield. A small library of these compounds, predicted to potentially interact with transforming growth factor-β receptors, was screened for bioactivity in living zebrafish embryos. We found that the related compounds differentially affect development, and demonstrate one compound that produces severe body axis alterations in early embryogenesis and at lower doses affects specifically cardiovascular development. This compound modulates specifically a Smad-independent transforming growth factor-β-regulated mitogen-activated protein kinase pathway, namely p-SAPK/JNK. These compounds, as suggested by our biological assays, may prove useful to manipulate developmental programs and develop therapeutic tools. PMID:19207470

  1. CCQE, 2p2h excitations and ν—energy reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Nieves, J. [Instituto de Física Corpuscular (IFIC), Centro Mixto Universidad de Valencia-CSIC, Institutos de Investigación de Paterna, E-46071 Valencia (Spain); Simo, I. Ruiz [Dipartimento di Fisica, Università di Trento, I-38123 Trento (Italy); Sánchez, F. [Institut de Fisica d' Altes Energies (IFAE), Bellaterra Barcelona (Spain); Vacas, M. J. Vicente [Departamento de Física Teórica and IFIC, Centro Mixto Universidad de Valencia-CSIC, Institutos de Investigación de Paterna, E-46071 Valencia (Spain)

    2015-05-15

    We analyze the MiniBooNE muon neutrino CCQE-like dσ/dT{sub μ} d cos θ{sub μ} data using a theoretical model that, among other nuclear effects, includes RPA correlations and 2p2h (multinucleon) mechanisms. These corrections turn out to be essential for the description of the data. We find that MiniBooNE CCQE-like data are fully compatible with former determinations of the nucleon axial mass M{sub A} ∼ 1.05 GeV. This is in sharp contrast with several previous analysis where anomalously large values of M{sub A} ∼ 1.4 GeV have been suggested. We also show that because of the the multinucleon mechanism effects, the algorithm used to reconstruct the neutrino energy is not adequate when dealing with quasielastic-like events. Finally, we analyze the MiniBooNE unfolded cross section, and show that it exhibits an excess (deficit) of low (high) energy neutrinos, which is an artifact of the unfolding process that ignores 2p2h mechanisms.

  2. Trojan Horse particle invariance for 2H(d,p3H reaction: a detailed study

    Directory of Open Access Journals (Sweden)

    Pizzone R.G.

    2014-03-01

    Full Text Available In the last decades the Trojan Horse method has played a crucial role for the measurement of several charged particle induced reactions cross sections of astrophysical interest. To better understand its cornerstones and its applications to physical cases many tests were performed to verify all its properties and the possible future perspectives. The Trojan Horse nucleus invariance for the binary d(d,pt reaction was therefore tested using the quasi free 2H(6Li, pt4He and 2H(3He,ptH reactions after 6Li and 3He break-up, respectively. The astrophysical S(E-factor for the d(d,pt binary process was then extracted in the framework of the Plane Wave Approximation applied to the two different break-up schemes. The obtained results are compared with direct data as well as with previous indirect investigations. The very good agreement confirms the applicability of the plane wave approximation and suggests the independence of binary indirect cross section on the chosen Trojan Horse nucleus also for the present case.

  3. Redetermination of [EuCl2(H2O6]Cl

    Directory of Open Access Journals (Sweden)

    Frank Tambornino

    2014-06-01

    Full Text Available The crystal structure of the title compound, hexaaquadichloridoeuropium(III chloride, was redetermined with modern crystallographic methods. In comparison with the previous study [Lepert et al. (1983. Aust. J. Chem. 36, 477–482], it could be shown that the atomic coordinates of some O atoms had been confused and now were corrected. Moreover, it was possible to freely refine the positions of the H atoms and thus to improve the accurracy of the crystal structure. [EuCl2(H2O6]Cl crystallizes with the GdCl3·6H2O structure-type, exhibiting discrete [EuCl2(H2O6]+ cations as the main building blocks. The main blocks are linked with isolated chloride anions via O—H...Cl hydrogen bonds into a three-dimensional framework. The Eu3+ cation is located on a twofold rotation axis and is coordinated in the form of a Cl2O6 square antiprism. One chloride anion coordinates directly to Eu3+, whereas the other chloride anion, situated on a twofold rotation axis, is hydrogen bonded to six octahedrally arranged water molecules.

  4. Free radical scavenging potency of quercetin catecholic colonic metabolites: Thermodynamics of 2H(+)/2e(-) processes.

    Science.gov (United States)

    Amić, Ana; Lučić, Bono; Stepanić, Višnja; Marković, Zoran; Marković, Svetlana; Dimitrić Marković, Jasmina M; Amić, Dragan

    2017-03-01

    Reaction energetics of the double (2H(+)/2e(-)), i.e., the first 1H(+)/1e(-) (catechol→ phenoxyl radical) and the second 1H(+)/1e(-) (phenoxyl radical→ quinone) free radical scavenging mechanisms of quercetin and its six colonic catecholic metabolites (caffeic acid, hydrocaffeic acid, homoprotocatechuic acid, protocatechuic acid, 4-methylcatechol, and catechol) were computationally studied using density functional theory, with the aim to estimate the antiradical potency of these molecules. We found that second hydrogen atom transfer (HAT) and second sequential proton loss electron transfer (SPLET) mechanisms are less energy demanding than the first ones indicating 2H(+)/2e(-) processes as inherent to catechol moiety. The Gibbs free energy change for reactions of inactivation of selected free radicals indicate that catecholic colonic metabolites constitute an efficient group of more potent scavengers than quercetin itself, able to deactivate various free radicals, under different biological conditions. They could be responsible for the health benefits associated with regular intake of flavonoid-rich diet.

  5. Refinements in an Mg/MgH2/H2O-Based Hydrogen Generator

    Science.gov (United States)

    Kindler, Andrew; Huang, Yuhong

    2010-01-01

    Some refinements have been conceived for a proposed apparatus that would generate hydrogen (for use in a fuel cell) by means of chemical reactions among magnesium, magnesium hydride, and steam. The refinements lie in tailoring spatial and temporal distributions of steam and liquid water so as to obtain greater overall energy-storage or energy-generation efficiency than would otherwise be possible. A description of the prior art is prerequisite to a meaningful description of the present refinements. The hydrogen-generating apparatus in question is one of two versions of what was called the "advanced hydrogen generator" in "Fuel-Cell Power Systems Incorporating Mg-Based H2 Generators" (NPO-43554), NASA Tech Briefs, Vol. 33, No. 1 (January 2009), page 52. To recapitulate: The apparatus would include a reactor vessel that would be initially charged with magnesium hydride. The apparatus would exploit two reactions: The endothermic decomposition reaction MgH2-->Mg + H2, which occurs at a temperature greater than or equal to 300 C, and The exothermic oxidation reaction MgH2 + H2O MgO + 2H2, which occurs at a temperature greater than or equal to 330 C.

  6. The Davis-Beirut Reaction: a novel entry into 2H-indazoles and indazolones. Recent biological activity of indazoles.

    Science.gov (United States)

    Haddadin, Makhluf J; Conrad, Wayne E; Kurth, Mark J

    2012-10-01

    A novel, easy method for the syntheses of richly diversified 2H-indazoles and indazolones, called the Davis-Beirut reaction, and other recent 2H-indazole synthetic routes are briefly reviewed. An update on the biological activity of indazoles is also surveyed.

  7. A method for direct in vivo measurement of drug concentrations from a single 2H NMR spectrum.

    Science.gov (United States)

    Evelhoch, J L; McCoy, C L; Giri, B P

    1989-03-01

    The use of 2H-labeled drugs provides a measure of drug concentration in situ directly from a single 2H NMR spectrum obtained with any antenna by correcting only for differential saturation effects. The limit of detection for a drug labeled with three equivalent deuterons is roughly 0.5 mM.

  8. 2H-SiC Dendritic Nanocrystals In Situ Formation from Amorphous Silicon Carbide under Electron Beam Irradiation

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Under electron beam irradiation, the in-situ formation of 2H-SiC dentritic nanocrystals from amorphous silicon carbide at room temperature was observed. The homogenous transition mainly occurs at the thin edge and on the surface of specimen where the energy obtained from electron beam irradiation is high enough to cause the amorphous crystallizing into 2H-SiC.

  9. Effect of Sterol Structure on Chain Ordering of an Unsaturated Phospholipid: A 2H-NMR Study of POPC/Sterol Membranes

    Science.gov (United States)

    Shaghaghi, Mehran; Thewalt, Jenifer; Zuckermann, Martin

    2012-10-01

    The physical properties of biological membranes are considerably altered by the presence of sterols. In particular, sterols help to maintain the integrity of the cell by adjusting the fluidity of the plasma membrane. Cholesterol is in addition an important component of lipid rafts which are hypothesized to compartmentalize the cell membrane surface thereby making it possible for certain proteins to function. Using 2H-NMR spectroscopy, we studied the effect of a series of different sterols on the chain ordering of POPC, an unsaturated phospholipid present in eukaryotic cell membranes. We were able to assigned specific roles to the structural differences between the sterols by comparing the manner in which they affect the average lipid chain conformation of POPC.

  10. Modeling of chemical processes in the low pressure capacitive RF discharges in a mixture of Ar/C2H2

    CERN Document Server

    Ariskin, D A; Alexandrov, A L; Bogaerts, A; Peeters, F M

    2008-01-01

    We study the properties of a capacitive 13.56 MHz discharge properties with a mixture of Ar/C2H2 taking into account the plasmochemistry and growth of heavy hydrocarbons. A hybrid model was developed to combine the kinetic description for electron motion and the fluid approach for negative and positive ions transport and plasmochemical processes. A significant change of plasma parameters related to injection of 5.8% portion of acetylene in argon was observed and analyzed. We found that the electronegativity of the mixture is about 30%. The densities of negatively and positively charged heavy hydrocarbons are sufficiently large to be precursors for the formation of nanoparticles in the discharge volume.

  11. Photolytic production of C/sup 2/H: collisional quenching of A tilde /sup 2/II. -->. X tilde /sup 2/Sigma/sup +/ infrared emission and the removal of excited C/sub 2/H

    Energy Technology Data Exchange (ETDEWEB)

    Shokoohi, F.; Watson, T.A.; Reisler, H.; Kong, F.; Renlund, A.M.; Wittig, C.

    1986-10-23

    The authors report the observation of time-resolved C/sub 2/H A tilde /sup 2/II ..-->.. X tilde /sup 2/Sigma/sup +/ infrared emission (1-5 ..mu..m) following the 193-nm photolyses of C/sub 2/H/sub 2/ and C/sub 2/HBr. Quenching of this emission by numerous collision partners (M) under pseudo-first-order conditions leads to large bimolecular rate coefficients (e.g. > 10/sup -11/ cm/sup 3/ molecule/sup -1/ s/sup -1/, except when M is a rare gas or N/sub 2/). Although such rate coefficients can be assigned to the quenching of fluorescence, they do not represent state-to-state processes, since quenching is due to an intricate combination of reactive, radiative, and energy-transfer processes. In separate experiments, rate coefficients are determined by monitoring the time-resolved CH A/sup 2/..delta.. ..-->.. X/sup 2/II chemiluminescence which is produced directly by the reaction of C/sub 2/H with O/sub 2/, and the C/sub 2/H species responsible for the CH emissions is identified as electronically and/or vibrationally excited C/sub 2/H. The above results are in agreement with recent molecular beam experiments that show that nascent C/sub 2/H contains considerably internal energy following the 193-nm photolysis of C/sub 2/H/sub 2/.

  12. 242-16H 2H EVAPORATOR POT SAMPLING FINAL REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Krementz, D; William Cheng, W

    2008-06-11

    Due to the materials that are processed through 2H Evaporator, scale is constantly being deposited on the surfaces of the evaporator pot. In order to meet the requirements of the Nuclear Criticality Safety Analysis/Evaluation (NCSA/NCSE) for 2H Evaporator, inspections of the pot are performed to determine the extent of scaling. Once the volume of scale reaches a certain threshold, the pot must be chemically cleaned to remove the scale. Prior to cleaning the pot, samples of the scale are obtained to determine the concentration of uranium and plutonium and also to provide information to assist with pot cleaning. Savannah River National Laboratory (SRNL) was requested by Liquid Waste Organization (LWO) Engineering to obtain these samples from two locations within the evaporator. Past experience has proven the difficulty of successfully obtaining solids samples from the 2H Evaporator pot. To mitigate this risk, a total of four samplers were designed and fabricated to ensure that two samples could be obtained. Samples had previously been obtained from the cone surface directly below the vertical access riser using a custom scraping tool. This tool was fabricated and deployed successfully. A second scraper was designed to obtain sample from the nearby vertical thermowell and a third scraper was designed to obtain sample from the vertical pot wall. The newly developed scrapers both employed a pneumatically actuated elbow. The scrapers were designed to be easily attached/removed from the elbow assembly. These tools were fabricated and deployed successfully. A fourth tool was designed to obtain sample from the opposite side of the pot under the tube bundle. This tool was fabricated and tested, but the additional modifications required to make the tool field-ready could not be complete in time to meet the aggressive deployment schedule. Two samples were obtained near the pot entry location, one from the pot wall and the other from the evaporator feed pipe. Since a third

  13. 242-16H 2H EVAPORATOR POT SAMPLING FINAL REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Krementz, D; William Cheng, W

    2008-06-11

    Due to the materials that are processed through 2H Evaporator, scale is constantly being deposited on the surfaces of the evaporator pot. In order to meet the requirements of the Nuclear Criticality Safety Analysis/Evaluation (NCSA/NCSE) for 2H Evaporator, inspections of the pot are performed to determine the extent of scaling. Once the volume of scale reaches a certain threshold, the pot must be chemically cleaned to remove the scale. Prior to cleaning the pot, samples of the scale are obtained to determine the concentration of uranium and plutonium and also to provide information to assist with pot cleaning. Savannah River National Laboratory (SRNL) was requested by Liquid Waste Organization (LWO) Engineering to obtain these samples from two locations within the evaporator. Past experience has proven the difficulty of successfully obtaining solids samples from the 2H Evaporator pot. To mitigate this risk, a total of four samplers were designed and fabricated to ensure that two samples could be obtained. Samples had previously been obtained from the cone surface directly below the vertical access riser using a custom scraping tool. This tool was fabricated and deployed successfully. A second scraper was designed to obtain sample from the nearby vertical thermowell and a third scraper was designed to obtain sample from the vertical pot wall. The newly developed scrapers both employed a pneumatically actuated elbow. The scrapers were designed to be easily attached/removed from the elbow assembly. These tools were fabricated and deployed successfully. A fourth tool was designed to obtain sample from the opposite side of the pot under the tube bundle. This tool was fabricated and tested, but the additional modifications required to make the tool field-ready could not be complete in time to meet the aggressive deployment schedule. Two samples were obtained near the pot entry location, one from the pot wall and the other from the evaporator feed pipe. Since a third

  14. Modeling Ice Giant Interiors Using Constraints on the H2-H2O Critical Curve

    Science.gov (United States)

    Bailey, E.; Stevenson, D. J.

    2015-12-01

    We present a range of models of Uranus and Neptune, taking into account recent experimental data (Bali, 2013) implying the location of the critical curve of the H2-H2O system at pressures up to 2.6 GPa. The models presented satisfy the observed total mass of each planet and the radius at the observed 1-bar pressure level. We assume the existence of three regions at different depths: an outer adiabatic envelope composed predominately of H2 and He, with a helium mass fraction 0.26, a water-rich layer including varied amounts of rock and hydrogen, and a chemically homogeneous rock core. Using measured rotation rates of Uranus and Neptune, and a density profile obtained for each model using constituent equations of state and the assumption of hydrostatic equilibrium, we calculate the gravitational harmonics J2 and J4 for comparison with observed values as an additional constraint. The H2-H2O critical curve provides information about the nature of the boundary between the outer, hydrogen-rich envelope and underlying water-rich layer. The extrapolated critical curve for hydrogen-water mixtures crosses the adiabat of the outer atmospheric shell in these models at two depths, implying a shallow outer region of limited miscibility, an intermediate region between ~90 and 98 percent of the total planet radius within which hydrogen and water can mix in all proportions, and another, deeper region of limited miscibility at less than ~90 percent of the total planet radius. The pressure and temperature of the gaseous adiabatic shell at the depth of the shallowest extent of the water-rich layer determines whether a gradual compositional transition or an ocean surface boundary may exist at depth in these planets. To satisfy the observed J2, the outer extent of the water-rich layer in these models must be located between approximately 80 and 85 percent of the total planet radius, within the deep region of limited H2-H2O miscibility, implying an ocean surface is possible within the

  15. Photofragmentation of the closo-carboranes part II: VUV assisted dehydrogenation in the closo-carboranes and semiconducting B10C2H(x) films.

    Science.gov (United States)

    Rühl, Eckart; Riehs, Norman F; Behera, Swayambhu; Wilks, Justin; Liu, Jing; Jochims, H-W; Caruso, Anthony N; Boag, Neil M; Kelber, Jeffry A; Dowben, Peter A

    2010-07-15

    The dehydrogenation of semiconducting boron carbide (B(10)C(2)H(x)) films as well as the three closo-carborane isomers of dicarbadodecaborane (C(2)B(10)H(12)) and two isomers of the corresponding closo-phosphacarborane (PCB(10)H(11)) all appear to be very similar. Photoionization mass spectrometry studies at near-threshold gas phase photoionization indicate that the preferred pathway for dissociation of the parent cation species (C(2)B(10)H(10)(+) or PCB(10)H(9)(+)) is, in all cases, the loss of H(2). Ab initio density functional theory (DFT) calculations indicate that energetically preferred sites for exopolyhedral hydrogen (B-H) bond dissociation are in all cases at B atoms opposite the C atoms in the parent cage molecule. The site of photodissociation of hydrogen from semiconducting boron carbide (B(10)C(2)H(x)) films, fabricated by plasma-enhanced chemical vapor deposition, is a cage boron atom that can bond to nitrogen upon exposure to VUV light in the presence of NH(3). Shifts in core level binding energies due to nitrogen bond formation indicate that B-N bond formation occurs only at B atoms bound to other boron atoms (B-B sites) and not at B-C sites or at C sites, in agreement with gas phase results.

  16. Equilibrium concentrations of N2H4 and its decomposition products at elevated temperatures and pressures

    Science.gov (United States)

    Smetana, F. O.; Fairchild, H. N., III; Martin, G. L.

    1973-01-01

    Liquid hydrazine is considered as a convenient source of hydrogen rather than just as a rocket fuel. For such purposes, the hydrogen is usually obtained by passing the hydrazine through a heated catalytic bed. One convenient measure of the effectiveness of a catalytic decomposition device as a whole is to compare the quantity of hydrogen produced with the equilibrium concentration of the gaseous species N2H4, NH3, N3, and H2 which would exist at the temperature and pressure found in various parts of the device. Calculations of the concentrations were carried out and are reported here. Following presentation of the results in both tabular and graphical forms is a comparison between the computed equilibrium concentrations and available experimental data.

  17. Bis[μ-2-(3-pyridylmethyl-2H-benzotriazole]bis[nitratosilver(I

    Directory of Open Access Journals (Sweden)

    Min Hu

    2008-11-01

    Full Text Available In the title centrosymmetric binuclear AgI complex, [Ag2(NO32(C12H10N42], each AgI center is coordinated by one pyridine and one benzotriazole N-donor atom of two inversion-related 2-(3-pyridylmethyl-2H-benzotriazole (L ligands, and an O atom of a coordinated NO3− anion in a distorted T-shaped geometry. This forms a unique box-like cyclic dimer with an intramolecular non-bonding Ag...Ag separation of 6.327 (2 Å. Weak intermolecular Ag...O(nitrate interactions [2.728 (4 and 2.646 (3 Å] link the binuclear units, forming a two-dimensional network parallel to (100. Intermolecular C—H...O hydrogen-bonding interactions, involving the L ligands and the coordinated NO3− anions, link the sheets, forming a three-dimensional framework.

  18. e-2 H Parity Violating Deep Inelastic Scattering (PVDIS) at CEBAF 6 GeV

    Science.gov (United States)

    Pan, Kai; Jefferson Lab Hall A Parity Collaboration

    2011-04-01

    The parity violating (PV) asymmetry Ad in e-2 H deep inelastic scattering (DIS) was measured in Hall A at Jefferson Lab at Q2 = 1.11 and 1.90(GeV / c) 2 at x ~ 0 . 3 to a statistical precision of 3 % and 4 % , respectively. The combination of the two measurements will provide the first significant constraint on higher-twist (HT) effects in PVDIS. With HT effects thus measured, this experiment will constrain the poorly known effective weak coupling constant combination (2C2 u -C2 d) . The measurement will also allow the extraction of couplings C3 q from high energy μ - C DIS data. Precision measurements of all these phenomenological couplings are essential to comprehensively search for possible physics beyond the Standard Model. The experiment DAQ system will be introduced. Current data analysis progress and preliminary results will be presented.

  19. Pressure-Induced Local Structure Distortions in Cu(pyz)F(2)(H(2)O)(2)

    Energy Technology Data Exchange (ETDEWEB)

    J Musfeldt; Z Liu; S Li; J Kang; C Lee; P Jena; J Manson; J Schlueter; G Carr; M Whangbo

    2011-12-31

    We employed infrared spectroscopy along with complementary lattice dynamics and spin density calculations to investigate pressure-driven local structure distortions in the copper coordination polymer Cu(pyz)F{sub 2}(H{sub 2}O){sub 2}. Here, pyz is pyrazine. Our study reveals rich and fully reversible local lattice distortions that buckle the pyrazine ring, disrupt the bc-plane O-H {hor_ellipsis} F hydrogen-bonding network, and reinforce magnetic property switching. The resiliency of the soft organic ring is a major factor in the stability of this material. Interestingly, the collective character of the lattice vibrations masks direct information on the Cu-N and Cu-O linkages through the series of pressure-induced Jahn-Teller axis switching transitions, although Cu-F bond softening is clearly identified above 3 GPa. These findings illustrate the importance of combined bulk and local probe techniques for microscopic structure determination in complex materials.

  20. Pressure Induced Local Structure Distortions in Cu(pyz)F2(H2O)2

    Energy Technology Data Exchange (ETDEWEB)

    Musfeldt, J.L.; Carr, G.; Liu, Z.; Li, S.; Kang, C.L., Jena, P.; Manson, J.L.; Schlueter, J.A. Whangbo, M.H.

    2011-06-06

    We employed infrared spectroscopy along with complementary lattice dynamics and spin density calculations to investigate pressure-driven local structure distortions in the copper coordination polymer Cu(pyz)F{sub 2}(H{sub 2}O){sub 2}. Here, pyz is pyrazine. Our study reveals rich and fully reversible local lattice distortions that buckle the pyrazine ring, disrupt the bc-plane O-H {hor_ellipsis} F hydrogen-bonding network, and reinforce magnetic property switching. The resiliency of the soft organic ring is a major factor in the stability of this material. Interestingly, the collective character of the lattice vibrations masks direct information on the Cu-N and Cu-O linkages through the series of pressure-induced Jahn-Teller axis switching transitions, although Cu-F bond softening is clearly identified above 3 GPa. These findings illustrate the importance of combined bulk and local probe techniques for microscopic structure determination in complex materials.

  1. Antimycobacterial activity of novel hydrazide-hydrazone derivatives with 2H-chromene and coumarin scaffold.

    Science.gov (United States)

    Angelova, Violina T; Valcheva, Violeta; Vassilev, Nikolay G; Buyukliev, Rosen; Momekov, Georgi; Dimitrov, Ivan; Saso, Luciano; Djukic, Mirjana; Shivachev, Boris

    2017-01-15

    This study reports the synthesis of new 2H-chromene or coumarin based acylhydrazones, which were evaluated for their in vitro antimycobacterial activity against reference strain Mycobacterium tuberculosis H37Rv and compared to the first-line antituberculosis drugs, isoniazid (INH) and ethambutol (EMB). The most active compounds 7m (MIC 0.13μM), 7o (MIC 0.15μM) and 7k (MIC 0.17μM) demonstrated antimycobacterial activity at submicromolar concentration level and remarkably minimal associated cytotoxicity in the human embryonic kidney cell line HEK-293T. Structure-activity relationship for this class of compounds has been established. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Ethyl (4-{[(diethylcarbamothioylsulfanyl]methyl}-2-oxo-2H-chromen-7-ylcarbamate

    Directory of Open Access Journals (Sweden)

    K. R. Roopashree

    2014-02-01

    Full Text Available In the title compound, C18H22N2O4S2, the 2H-chromene ring system is essentially planar (r.m.s. deviation = 0.012 Å. The molecular conformation is stabilized by a C—H...O hydrogen bond. In the crystal, N—H...S and C—H...O hydrogen bonds occur, the former enclosing an R22(22 ring motif, and lead to the formation of a two-dimensional slab-like network lying parallel to (10-1. π–π interactions are observed between inversion-related aromatic rings [shortest centroid–centroid distance = 3.6300 (11 Å].

  3. 2-Oxo-2-(2-oxo-2H-chromen-3-ylethyl diethyldithiocarbamate

    Directory of Open Access Journals (Sweden)

    T. G. Meenakshi

    2013-09-01

    Full Text Available In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thiocarbamate group are 14.46 (9 and 83.30 (9°, respectively. The bond-angle sum at the N atom is 360.0°. One of the methyl C atoms lies above the thiocarbamate plane and one lies below it [deviations = 1.264 (3 and −1.147 (3 Å, respectively]. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generate R22(10 loops. Weak aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.8138 (11 Å] are also observed.

  4. Inhibition of myeloperoxidase: evaluation of 2H-indazoles and 1H-indazolones.

    Science.gov (United States)

    Roth, Aaron; Ott, Sean; Farber, Kelli M; Palazzo, Teresa A; Conrad, Wayne E; Haddadin, Makhluf J; Tantillo, Dean J; Cross, Carroll E; Eiserich, Jason P; Kurth, Mark J

    2014-11-15

    Myeloperoxidase (MPO) produces hypohalous acids as a key component of the innate immune response; however, release of these acids extracellularly results in inflammatory cell and tissue damage. The two-step, one-pot Davis-Beirut reaction was used to synthesize a library of 2H-indazoles and 1H-indazolones as putative inhibitors of MPO. A structure-activity relationship study was undertaken wherein compounds were evaluated utilizing taurine-chloramine and MPO-mediated H2O2 consumption assays. Docking studies as well as toxicophore and Lipinski analyses were performed. Fourteen compounds were found to be potent inhibitors with IC50 values <1μM, suggesting these compounds could be considered as potential modulators of pro-oxidative tissue injury pertubated by the inflammatory MPO/H2O2/HOCl/HOBr system.

  5. Characterization Results for the March 2016 H-Tank Farm 2H Evaporator Overhead Samples

    Energy Technology Data Exchange (ETDEWEB)

    Nicholson, J. C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-09-28

    This report contains the radioanalytical results of the 2H evaporator overhead sample received at SRNL on March 16, 2016. Specifically, concentrations of 137Cs, 90Sr, and 129I are reported and compared to the corresponding Waste Acceptance Criteria (WAC) limits of the Effluent Treatment Project (ETP) Waste Water Collection Tank (WWCT) (rev. 6). All of the radionuclide concentrations in the sample were found to be in compliance with the ETP WAC limits. Revision 1 of this document corrects the cumulative beta count initially reported for 90Sr content with the sole 90Sr count obtained after recharacterization of the sample. The initial data was found to be a cumulative beta count rather than the 90Sr count requested.

  6. Optical properties of synthetic crystals of brushite (CaHPO 4·2H 2O)

    Science.gov (United States)

    Lundager Madsen, Hans E.

    2008-02-01

    The principal refractive indices of brushite (CaHPO 4·2H 2O) crystals for sodium light, 589 nm, have been determined by a combination of several methods: microscopic interferometry, retardation measurements with an Ehringhaus 6 λ compensator, and determination of the angle 2 V between optic axes from the measurements of extinction directions using a spindle stage and evaluating the data with the computer program EXCALIBRW. The following values were found: n α=1.54089, n β=1.54620, n γ=1.55191, and 2 V=88.2°. The standard deviations of the three indices lie in the range 7-8×10 -5. The results are regarded valuable in connection with studies of crystal growth kinetics in biological mineralization and related fields.

  7. The FORMAMIDE_2-H_2O Complex: Structure and Hydrogen Bond Cooperative Effects

    Science.gov (United States)

    Blanco, Susana; Pinacho, Pablo; Lopez, Juan Carlos

    2016-06-01

    The adduct formamide_2-H_20 has been detected in a supersonic expansion and its rotational spectra in the 5-13 GHz frequency region characterized by narrow-band molecular beam Fourier transform microwave spectroscopy (MB-FTMW). The spectrum shows the hyperfine structure due to the presence of two 14N-nuclei. This hyperfine structure has been analyzed and the determined quadrupole coupling constants together with the rotational constants have been a key for the identification of the adduct structure on the light of ab initio computations. The rotational parameters are consistent with the formation of a three body cycle thanks to the double proton acceptor/proton donor character of both formamide and water. The low value of the planar moment of inertia Pcc indicates that the heavy atom skeleton of the cluster is essentially planar. A detailed analysis of the results reveals the subtle effects of hydrogen bond cooperative effects in this system.

  8. 2p-2h excitations in neutrino scattering: angular distribution and frozen approximation

    CERN Document Server

    Simo, I Ruiz; Amaro, J E; Barbaro, M B; Caballero, J A; Donnelly, T W

    2015-01-01

    We study the phase-space dependence of 2p-2h excitations in neutrino scattering using the relativistic Fermi gas model. We follow a similar approach to other authors, but focusing in the phase-space properties, comparing with the non-relativistic model. A careful mathematical analysis of the angular distribution function for the outgoing nucleons is performed. Our goals are to optimize the CPU time of the 7D integral to compute the hadron tensor in neutrino scattering, and to conciliate the different relativistic and non relativistic models by describing general properties independently of the two-body current. For some emission angles the angular distribution becomes infinite in the Lab system, and we derive a method to integrate analytically around the divergence. Our results show that the frozen approximation, obtained by neglecting the momenta of the two initial nucleons inside the integral of the hadron tensor, reproduces fairly the exact response functions for constant current matrix elements.

  9. Photophysical Property of Ternary Complex Eu(DPHA)3*Phen*2H20

    Institute of Scientific and Technical Information of China (English)

    王明召; 王淑贤; 蔡冠梁

    2001-01-01

    One ternary complex of europium with the plant growth regulator HDPHA (2-Hydroxydiphenyl acetic acid) and Phen (1,10-Phenanthroline), Eu(DPHA)3*Phen*2H2O, was synthesized and characterized by the elemental analysis and DTA-TG measurement. The photophysical property of the complex was investigated by means of IR spectra, Raman spectrum and laser-exited, high-resolved excitation and emission spectra as well as time-resolved luminescence spectra. The luminescence spectra reveal four Eu3+ sites with energy difference within 25 cm-1 and local symmetries of C1 or C2 or Cs in the complex. The energy transfer among the Eu3+ sites is observed. The 7FJ sublevel splitting of the Eu3+ ion is discussed.

  10. Tris[2-(2H-indazol-2-ylethyl]amine

    Directory of Open Access Journals (Sweden)

    Saúl Ovalle

    2012-06-01

    Full Text Available The title tertiary amine, C27H27N7, a potential tripodal ligand for coordination chemistry, crystallizes with the central N atom located on a threefold axis of a trigonal cell. The gauche conformation of the N(amime—CH2—CH2—N(indazole chain [torsion angle = −64.2 (2°] places the pendant 2H-indazole heterocycles surrounding the symmetry axis, affording a claw-like shaped molecule. Two symmetry-related indazole planes in the molecule make an acute angle of 60.39 (4°. The lone pair of the tertiary N atom is located inside the cavity, and should thus be inactive (as a ligand. In the crystal, neither significant π–π nor C—H...π interactions between molecules are found.

  11. Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.

    Science.gov (United States)

    Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo

    2015-09-28

    The reactions of isolable dialkysilylene 1 with 2-diazo-1,2-diphenylethanone and ethyl 2-diazo-2-phenylacetate gave elusive silacycles, 2H-1,2-oxasiletes 2 and 3, respectively, in high yields. Because these reactions occur at low temperatures of ca.-30 °C, initial complexation of the silylene to the carbonyl oxygen of the diazocarbonyl compounds is suggested to trigger dinitrogen elimination followed by cyclization. In contrast, a six-membered cyclic diazo compound 8 and 1-sila-2,3-diazabicyclo[3.3.0]oct-3-ene 10 were obtained in good yields by the reaction of 1 with less reactive ethyl 2-diazo-3-oxo-3-phenylpropanoate 7 and trimethylsilyldiazomethane 9. Molecular structures of 2, 3, 8 and 10 were determined by X-ray crystallography.

  12. The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl-4-nitro-2H-indazole

    Directory of Open Access Journals (Sweden)

    Constantin Mamat

    2012-04-01

    Full Text Available Two novel indazole derivatives protected with p-methoxybenzyl group were synthesized and characterized. The crystal and molecular structure of 2-(4-methoxybenzyl-4-nitro-2H-indazole as one out of the two regioisomers is reported. The compound was obtained from a saturated petroleum ether/ethyl acetate mixture and crystallizes in the triclinic space group P`1. The unit cell parameters are: a = 6.8994(1 Å, b = 9.8052(2 Å, c = 11.1525(2 Å; α = 71.729(1°, β = 79.436(1°, γ = 74.349(1° and V = 685.83(2 Å3. There are two independent molecules found in the asymmetric unit.

  13. Tris[2-(2H-indazol-2-yl)eth-yl]amine.

    Science.gov (United States)

    Ovalle, Saúl; Elizondo Martínez, Perla; Pérez Rodríguez, Nancy; Bernès, Sylvain; Flores-Alamo, Marcos

    2012-06-01

    The title tertiary amine, C(27)H(27)N(7), a potential tripodal ligand for coordination chemistry, crystallizes with the central N atom located on a threefold axis of a trigonal cell. The gauche conformation of the N(amime)-CH(2)-CH(2)-N(indazole) chain [torsion angle = -64.2 (2)°] places the pendant 2H-indazole heterocycles surrounding the symmetry axis, affording a claw-like shaped mol-ecule. Two symmetry-related indazole planes in the mol-ecule make an acute angle of 60.39 (4)°. The lone pair of the tertiary N atom is located inside the cavity, and should thus be inactive (as a ligand). In the crystal, neither significant π-π nor C-H⋯π inter-actions between molecules are found.

  14. 2,2'-(Propane-1,3-di-yl)bis-(2H-indazole).

    Science.gov (United States)

    Ovalle, Saúl; Bernès, Sylvain; Pérez Rodríguez, Nancy; Elizondo Martínez, Perla

    2011-08-01

    The title mol-ecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the mol-ecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol-ecule, indazole rings make a dihedral angle of 60.11 (7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol-ecule. In the crystal, mol-ecules inter-act weakly through π-π contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746 (2) Å.

  15. Tris[2-(2H-indazol-2-yl)eth­yl]amine

    Science.gov (United States)

    Ovalle, Saúl; Elizondo Martínez, Perla; Pérez Rodríguez, Nancy; Bernès, Sylvain; Flores-Alamo, Marcos

    2012-01-01

    The title tertiary amine, C27H27N7, a potential tripodal ligand for coordination chemistry, crystallizes with the central N atom located on a threefold axis of a trigonal cell. The gauche conformation of the N(amime)—CH2—CH2—N(indazole) chain [torsion angle = −64.2 (2)°] places the pendant 2H-indazole heterocycles surrounding the symmetry axis, affording a claw-like shaped mol­ecule. Two symmetry-related indazole planes in the mol­ecule make an acute angle of 60.39 (4)°. The lone pair of the tertiary N atom is located inside the cavity, and should thus be inactive (as a ligand). In the crystal, neither significant π–π nor C—H⋯π inter­actions between molecules are found. PMID:22719639

  16. Plasma Antenna

    OpenAIRE

    N M Vijay

    2014-01-01

    The fundamental base of plasma antenna is the use of an ionized medium as a conductor. The plasma antenna is a radiofrequency antenna formed by a plasma columns, Filaments or sheets, which are excited by a surface wave. The relevance of this device is how rapidly it can be turned on and off, only applying an electrical pulse. Besides its wide carrier frequency, the great directivity and controllable antenna shape. Otherwise a disadvantage is that it needs energy to be ionized....

  17. The First Detailed 2H and 18O Isoscapes of Freshwater in Scotland

    Science.gov (United States)

    Meier-Augenstein, W.; Hoogewerff, J.; Kemp, H. F.; Frew, D.

    2012-04-01

    Scotland's freshwater lochs and reservoirs provide a vital resource for sustaining biodiversity, agriculture, food production as well as for human consumption. Regular monitoring of freshwater quality by the Scottish Environmental Protection Agency (SEPA) fulfils the legislative requirements but new scientific methods involving stable isotope analysis present an opportunity for delivering on current and nascent government policies [1] and gaining a greater understanding of Scottish waters and their importance in the context of climate change, environmental sustainability and the aforementioned functions. In brief, 2H and 18O isoscapes of Scottish freshwater could be used to support fundamental and applied research in: • Climate change - These first ever isoscapes will provide a baseline against which future environmental impact can be assessed due to changes in the characteristic isotope composition of freshwater lochs and reservoirs. • Scottish branding - Location specific stable isotope signatures of Scottish freshwater have the potential to be used as a tool for provenancing and thus protecting premium Scottish produce such as Scottish beef, Scottish berries and Scottish Whisky. During 2011, freshwater samples were collected with the support of SEPA from more than 80 freshwater lochs and reservoirs across Scotland. Here we present the result of the 2H and 18O stable isotope analyses of these water samples together with the first isoscapes generated based on these data. [1] Adaptation Framework - Adapting Our Ways: Managing Scotland's Climate Risk (2009): Scotland's Biodiversity: It's in Your Hands - A strategy for the conservation and enhancement of biodiversity in Scotland (2005); Recipe For Success - Scotland's National Food and Drink Policy (2009); Scottish Planning Policy Environmental Report (2009); Scottish Planning Policy (SPP) 15 Planning for Rural Development (2005); National Planning Policy Guideline (NPPG) 14: Natural Heritage (1999).

  18. Molecular dynamics of spider dragline silk fiber investigated by 2H MAS NMR.

    Science.gov (United States)

    Shi, Xiangyan; Holland, Gregory P; Yarger, Jeffery L

    2015-03-09

    The molecular dynamics of the proteins that comprise spider dragline silk were investigated with solid-state (2)H magic angle spinning (MAS) NMR line shape and spin-lattice relaxation time (T1) analysis. The experiments were performed on (2)H/(13)C/(15)N-enriched N. clavipes dragline silk fibers. The silk protein side-chain and backbone dynamics were probed for Ala-rich regions (β-sheet and 31-helical domains) in both native (dry) and supercontracted (wet) spider silk. In native (dry) silk fibers, the side chains in all Ala containing regions undergo similar fast methyl rotations (>10(9) s(-1)), while the backbone remains essentially static (silk is wet and supercontracted, the presence of water initiates fast side-chain and backbone motions for a fraction of the β-sheet region and 31-helicies. β-Sheet subregion 1 ascribed to the poly(Ala) core exhibits slower dynamics, while β-sheet subregion 2 present in the interfacial, primarily poly(Gly-Ala) region that links the β-sheets to disordered 31-helical motifs, exhibits faster motions when the silk is supercontracted. Particularly notable is the observation of microsecond backbone motions for β-sheet subregion 2 and 31-helicies. It is proposed that these microsecond backbone motions lead to hydrogen-bond disruption in β-sheet subregion 2 and helps to explain the decrease in silk stiffness when the silk is wet and supercontracted. In addition, water mobilizes and softens 31-helical motifs, contributing to the increased extensibility observed when the silk is in a supercontracted state. The present study provides critical insight into the supercontraction mechanism and corresponding changes in mechanical properties observed for spider dragline silks.

  19. Plasma physics

    CERN Document Server

    Drummond, James E

    2013-01-01

    A historic snapshot of the field of plasma physics, this fifty-year-old volume offers an edited collection of papers by pioneering experts in the field. In addition to assisting students in their understanding of the foundations of classical plasma physics, it provides a source of historic context for modern physicists. Highly successful upon its initial publication, this book was the standard text on plasma physics throughout the 1960s and 70s.Hailed by Science magazine as a ""well executed venture,"" the three-part treatment ranges from basic plasma theory to magnetohydrodynamics and microwa

  20. Satellite observations of ethylene (C2H4) from the Aura Tropospheric Emission Spectrometer: A scoping study

    Science.gov (United States)

    Dolan, Wayana; Payne, Vivienne H.; Kualwik, Susan S.; Bowman, Kevin W.

    2016-09-01

    We present a study focusing on detection and initial quantitative estimates of ethylene (C2H4) in observations from the Tropospheric Emission Spectrometer (TES), a Fourier transform spectrometer aboard the Aura satellite that measures thermal infrared radiances with high spectral resolution (0.1 cm-1). We analyze observations taken in support of the 2008 Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) mission and demonstrate the feasibility of future development of C2H4 into a TES standard product. In the Northern Hemisphere, C2H4 is commonly associated with boreal fire plumes, motor vehicle exhaust and petrochemical emissions. It has a short lifetime (∼14-32 h) in the troposphere due to its reaction with OH and O3. Chemical destruction of C2H4 in the atmosphere leads to the production of ozone and other species such as carbon monoxide (CO) and formaldehyde. Results indicate a correlation between C2H4 and CO in boreal fire plumes. Quantitative C2H4 estimates are sensitive to assumptions about the plume height and width. We find that C2H4 greater than 2-3 ppbv can be detected in a single TES observation (for a fire plume at 3 km altitude and 1.5 km width). Spatial averaging will be needed for surface-peaking profiles where TES sensitivity is lower.

  1. Monitoring particle growth in deposition plasmas

    Science.gov (United States)

    Schlebrowski, T.; Bahre, H.; Böke, M.; Winter, J.

    2013-12-01

    Plasma-enhanced chemical vapor deposition methods are frequently used to deposit barrier layers, e.g. on polymers for food packaging. These plasmas may suffer from particle (dust) formation. We report on a flexible monitoring system for dust. It is based on scanning a 3D plasma volume for particles by laser light scattering. The lower size limit of particles detected in the presented system is 20 nm. We report on existence diagrams for obtaining dust free or dust loaded capacitively or inductively coupled rf-plasmas in C2H2 depending on pressure, flow and rf-power. We further present growth rates for dust in these plasmas and show that monodisperse particles are only obtained during the first growth cycle.

  2. 关于类似广义Dedekind和S2(h,m,n,k)的几个恒等式%On some identities of the sum analogous to the generalized Dedekind sum S2 (h, m, n, k)

    Institute of Scientific and Technical Information of China (English)

    王阳; 华梦霞

    2009-01-01

    利用初等方法研究了类似广义Dedekind和S2(h,m,n,,k)的算术性质.借助Bernoulli多项式及三角恒等式,探究了S2(qh,m,n,qk)与S2(h,m,n,k)的关系,以及当P为奇素数时∑S2(h+bk,m,n,pk)与S2(h,m,n,k)和S2(ph,m,n,k)的关系,提出并证明了两个恒等式,推广了有关文献的结论.

  3. Microwave-assisted 1T to 2H phase reversion of MoS2 in solution: a fast route to processable dispersions of 2H-MoS2 nanosheets and nanocomposites

    Science.gov (United States)

    Xu, Danyun; Zhu, Yuanzhi; Liu, Jiapeng; Li, Yang; Peng, Wenchao; Zhang, Guoliang; Zhang, Fengbao; Fan, Xiaobin

    2016-09-01

    Exfoliated molybdenum disulfide (MoS2) has unique 2H phase and semiconductor properties and potential applications across a wide range of fields. However, the chemically exfoliated MoS2 nanosheets from Li x MoS2 have a 1T phase, and searching for a fast route to get processable 2H-MoS2 nanosheets and its nanocomposites is still an urgent task. This study reports on a simple, fast and efficient microwave strategy to achieve the 1T to 2H phase conversion of MoS2 and the successful preparation of processable 2H-MoS2 nanosheets and their nanocomposites. The method here may be easily changed to achieve the phase change of other exfoliated TMDs.

  4. Acetylene C2H 2 retrievals from MIPAS data and regions of enhanced upper tropospheric concentrations in August 2003

    Directory of Open Access Journals (Sweden)

    V. P. Kanawade

    2011-10-01

    Full Text Available Acetylene (C2H2 volume mixing ratios (VMRs have been successfully retrieved from the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS Level 1B radiances during August 2003, providing the first global map of such data and ratios to CO in the literature. The data presented here contain most information between 300 hPa and 100 hPa with systematic errors less than 10% at the upper levels. Random errors per point are less than 15% at lower levels and are closer to 30% at 100 hPa. Global distributions of the C2H2 and C2H2/CO ratio confirm significant features associated with both the Asian monsoon anticyclone and biomass burning for this important hydrocarbon in a characteristic summer month (August 2003, showing tight correlations regionally, particularly at lower to medium values, but globally emphasising the differences between sources and lifetimes of CO and C2H2. The correlations are seen to be particularly disturbed in the regions of highest C2H2 concentrations, indicating variability in the surface emissions or fast processing. A strong isolation of C2H2 within the Asian monsoon anticyclone is observed, evidencing convective transport into the upper troposphere, horizontal advection within the anticyclone at 200 hPa, distinct gradients at the westward edge of the vortex and formation of a secondary dynamical feature from the eastward extension of the anticyclone outflow over the Asian Pacific. Ratios of C2H2/CO are consistent with the evidence from the cross-sections that the C2H2 is uplifted rapidly in convection. Observations are presented of enhanced C2H2 associated with the injection from biomass burning into the upper troposphere and the outflow from Africa at 200 hPa into both the Atlantic and Indian Oceans. In the biomass burning regions, C2H2 and CO are well correlated, but the uplift is less marked and peaks at lower altitudes compared to the strong effects observed in the Asian monsoon anticyclone. Ratios of C2H2/CO

  5. ICl-mediated intramolecular twofold iodoarylation of diynes and diynyl diethers and amines: synthesis of bis(2H-hydronaphthalene and chromene) and 2H-quinoline bearing an alkenyl iodide moiety.

    Science.gov (United States)

    Mo, Juntae; Choi, Wonseok; Min, Jiae; Kim, Cheol-Eui; Eom, Dahan; Kim, Sung Hong; Lee, Phil Ho

    2013-11-15

    Electrophilic intramolecular twofold iodoarylation was developed from the reaction of diynes and diynyl diethers and amines with iodine monochloride under mild conditions, which produced bis(2H-hydronaphthalene and chromene) and 2H-quinoline bearing an alkenyl iodide moiety in good to excellent yields. These compounds underwent Pd-catalyzed cross-coupling reactions with arylboronic acid and indium tris(arylthiolate) to produce the functionalized styrene derivatives.

  6. 1H, 1H, 2H, 2H-Perfluoroalkyl-Functionalization of Ni(II), Pd(II) and Pt(II) Mono- and Diphosphine Complexes : minimizing the Electronic Consequences for the Metal Center

    NARCIS (Netherlands)

    Koten, G. van; Wolf, E. de; Mens, A.J.M.; Gijzeman, O.L.J.; Lenthe, J.H. van; Jenneskens, L.W.; Deelman, B.J.

    2003-01-01

    A series of fluorous derivatives of group 10 complexes MCl2(dppe) and [M(dppe)2](BF4)2 (M = Ni, Pd or Pt; dppe = 1,2-bis(diphenylphosphino)ethane) and cis-PtCl2(PPh3)2 was synthesized. The influence of para-(1H,1H,2H,2H-perfluoroalkyl)dimethylsilyl-functionalization of the phosphine phenyl groups of

  7. Resolving futile glucose cycling and glycogenolytic contributions to plasma glucose levels following a glucose load

    NARCIS (Netherlands)

    Nunes, P.M.; Jarak, I.; Heerschap, A.; Jones, J.G.

    2014-01-01

    PURPOSE: After a glucose load, futile glucose/glucose-6-phosphate (G6P) cycling (FGC) generates [2-(2) H]glucose from (2) H2 O thereby mimicking a paradoxical glycogenolytic contribution to plasma glucose levels. Contributions of load and G6P derived from gluconeogenesis, FGC, and glycogenolysis to

  8. Rheological properties of gamma irradiated [Me3NC2H4OH]+[Zn2Cl5]- and [Me3NC2H4OH]+[Zn3Cl7]- ionic liquids

    Institute of Scientific and Technical Information of China (English)

    李倩妹; 罗迎社; 吴国忠; 陈仕谋

    2008-01-01

    The objective of this work is to verify the rheological behavior of irradiated [Me3NC2H4OH]+[Zn2Cl5]-and [Me3NC2H4OH]+[Zn3Cl7]-ionic liquids in comparison to the unirradiated ones,the viscosities were measured by a strain-control experiment under different irradiation doses’ samples(0,10,20,50,100 kGy) at different shear rates and temperatures.The curves of shear stress against shear rate present that the viscosity of ionic liquid is insensitive to shear rate;the viscosity of ionic liquids decreases with increasing temperature,and can be fitted by Arrhenius equation very well.Gamma radiation causes a decrease of viscosity of [Me3NC2H4OH]+[Zn3Cl7]-by greater than 10%,but it does not impair the viscosity of [Me3NC2H4OH]+[Zn2Cl5]-(within the experimental error) except 20 kGy irradiated sample.The results show that the radiation stability of [Me3NC2H4OH]+[Zn2Cl5]-is higher than that of [Me3NC2H4OH]+[Zn3Cl7]-.

  9. A FORMAÇÃO DE LIGAÇÕES DE HIDROGÊNIO π‧‧‧H, F‧‧‧H E C‧‧‧H NOS COMPLEXOS C2H2‧‧‧(HF, C2H2‧‧‧2(HF E C2H2‧‧‧3(HF

    Directory of Open Access Journals (Sweden)

    Boaz G. Oliveira

    2016-04-01

    Full Text Available In this work, a theoretical study on the basis of structural, vibrational, electronic and topological parameters of the C2H2‧‧‧(HF, C2H2‧‧‧2(HF and C2H2‧‧‧3(HF complexes concerning the formation of π‧‧‧H, F‧‧‧H and C‧‧‧H hydrogen bonds is presented. The main difference among these complexes is not properly the interaction strength, but the hydrogen bond type whose benchmark is ruled justly by the structure. Meanwhile, the occurrence of π‧‧‧H hydrogen bonds was unveiled in both C2H2‧‧‧(HF dimer and C2H2‧‧‧3(HF tetramer, although in latter, this interaction is stronger than C‧‧‧H of the C2H2‧‧‧2(HF trimer. However, the F‧‧‧H hydrogen bonds within the subunits of hydrofluoric acid are the strongest ones, reaching a partial covalent limit, and thereby contribute decisively to the stabilization of the tetramer structure. In line with this, the largest red-shifts were observed on the hydrofluoric acid trimer of the C2H2‧‧‧3(HF complex.

  10. Hydrochemistry and 18O/16O and 2H/1H Ratios of Ugandan Waters

    Science.gov (United States)

    Gebremichael, M. G.; Jasechko, S.

    2013-12-01

    Today, 70% of the 35 million people living in Uganda have access to an improved water source, ranking Uganda 148 out of 179 nations reporting in 2010 (Millennium Development Goals Indicators). 80% of Ugandans rely on groundwater as their primary drinking water source, collecting at springs or from shallow wells. Similarly, 80% of Ugandans rely upon agriculture - usually rain fed - as their primary income source. Despite lack of access to protected water sources faced by 10 million Ugandans, and the importance of the blue economy to Uganda's continued development, a country-wide investigation of the chemistry and the stable oxygen and hydrogen isotope compositions of waters has yet to be completed. Here we present 250 analyses of 18O/16O, 2H/1H and dissolved ion concentrations of Ugandan lakes, rivers, groundwaters and springs collected during July, 2013. We use the new data to characterize regional scale groundwater recharge sources, advection pathways and interactions with surface waters. Large lakes - Albert, Edward and Victoria - show increases in 18O/16O and 2H/1H ratios consistent with open water evaporation, and are shown to be distinct from nearby groundwaters, suggesting minimal recharge from large lakes to the subsurface. Salinities of eastern Ugandan groundwaters are elevated relative to samples collected from the central and western regions, suggesting that longer groundwater residence times and enhanced water-rock interactions characterize these waters. Springs from western Uganda show a shift in 18O/16O to higher values as a result of hydrothermal water-rock exchanges. Dissolved ion and noble gas concentrations show potential for use in assessing geothermal energy resources, perhaps aiding the Ugandan Ministry for Energy, Minerals and Development to meet their goal of increasing renewable energy from 4% (current) to 61% of total use by 2017 (Nyakabwa-Atwoki, 2013). Millennium Development Goals Indicators. mdgs.un.org/unsd/mdg/data.aspx Nyakabwa

  11. Effect of endocannabinoids on IgE-mediated allergic response in RBL-2H3 cells.

    Science.gov (United States)

    Yoo, Jae-Myung; Sok, Dai-Eun; Kim, Mee Ree

    2013-09-01

    Recently, some endocannabinoids were reported to show anti-inflammatory and anti-allergic activities. In this respect, various arachidonoyl endocannabinoids were screened for the inhibition of allergic response in IgE-activated RBL-2H3 cells. Among arachidonoyl endocannabinoids with a low cytotoxicity, only NA-5HT remarkably inhibited the release of β-hexosaminidase (IC(50), 13.58 μM), a marker of degranulation, and tumor necrosis factor-α (IC(50), 12.52 μM), a pro-inflammatory cytokine, in IgE-activated RBL-2H3 cells. Additionally, NA-5HT markedly suppressed the formation of prostaglandin D(2) (PGD(2)) with IC(50) value of 1.27 μM and leukotriene B(4) (LTB(4)) with IC(50) value of 1.20 μM, and slightly LTC4. When effect of NA-5HT on early stage of FcεRI cascade was investigated, it significantly inhibited phosphorylation of Syk, but not Lyn. Furthermore, NA-5HT suppressed phosphorylation of PLCγ1/2 and PKCδ, related to degranulation process, as well as phosphorylation of LAT, ERK1/2, p38, JNK, Gab2, PI3K and Akt, implicated in the expression of pro-inflammatory cytokines. Relative to its effect on the late stage, NA-5HT slightly reduced phosphorylation of 5-lipoxygenase (5-LO) and cyclooxygenase-2 (COX-2). Additionally, NA-5HT significantly reduced the level of p40(phox), and partially inhibited the expression of p47(phox) and p67(phox). From these results, it is suggested that NA-5HT expresses anti-allergic action by suppressing the activation of Syk, LAT, p38, JNK, PI3K and Akt, as well as the expression of ERK1/2 and NADPH oxidase subunits. Further, a strong inhibition of PGD(2) or LTB(4) biosynthesis by NA-5HT may be an additional mechanism for its anti-allergic action. Such anti-allergic actions of NA-5HT may contribute to further information about its biological functions.

  12. The Chromatin Remodelling Enzymes SNF2H and SNF2L Position Nucleosomes adjacent to CTCF and Other Transcription Factors.

    Directory of Open Access Journals (Sweden)

    Nicola Wiechens

    2016-03-01

    Full Text Available Within the genomes of metazoans, nucleosomes are highly organised adjacent to the binding sites for a subset of transcription factors. Here we have sought to investigate which chromatin remodelling enzymes are responsible for this. We find that the ATP-dependent chromatin remodelling enzyme SNF2H plays a major role organising arrays of nucleosomes adjacent to the binding sites for the architectural transcription factor CTCF sites and acts to promote CTCF binding. At many other factor binding sites SNF2H and the related enzyme SNF2L contribute to nucleosome organisation. The action of SNF2H at CTCF sites is functionally important as depletion of CTCF or SNF2H affects transcription of a common group of genes. This suggests that chromatin remodelling ATPase's most closely related to the Drosophila ISWI protein contribute to the function of many human gene regulatory elements.

  13. The Chromatin Remodelling Enzymes SNF2H and SNF2L Position Nucleosomes adjacent to CTCF and Other Transcription Factors.

    Science.gov (United States)

    Wiechens, Nicola; Singh, Vijender; Gkikopoulos, Triantaffyllos; Schofield, Pieta; Rocha, Sonia; Owen-Hughes, Tom

    2016-03-01

    Within the genomes of metazoans, nucleosomes are highly organised adjacent to the binding sites for a subset of transcription factors. Here we have sought to investigate which chromatin remodelling enzymes are responsible for this. We find that the ATP-dependent chromatin remodelling enzyme SNF2H plays a major role organising arrays of nucleosomes adjacent to the binding sites for the architectural transcription factor CTCF sites and acts to promote CTCF binding. At many other factor binding sites SNF2H and the related enzyme SNF2L contribute to nucleosome organisation. The action of SNF2H at CTCF sites is functionally important as depletion of CTCF or SNF2H affects transcription of a common group of genes. This suggests that chromatin remodelling ATPase's most closely related to the Drosophila ISWI protein contribute to the function of many human gene regulatory elements.

  14. Anisotropy and temperature dependence of the first critical field in 2H-NbS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Leroux, M., E-mail: maxime.leroux@grenoble.cnrs.fr [Institut Neel, CNRS/UJF, 25 Avenue des Martyrs, B.P. 166, 38042 Grenoble Cedex 9 (France); Rodiere, P. [Institut Neel, CNRS/UJF, 25 Avenue des Martyrs, B.P. 166, 38042 Grenoble Cedex 9 (France); Cario, L. [Institut des Materiaux Jean Rouxel (IMN), Universite de Nantes-CNRS, 2 rue de la Houssiniere, B.P. 32229, 44322 Nantes Cedex 03 (France); Klein, T. [Institut Neel, CNRS/UJF, 25 Avenue des Martyrs, B.P. 166, 38042 Grenoble Cedex 9 (France)

    2012-06-01

    We report on {mu} Hall probe measurements on single crystals of 2H-NbS{sub 2}. This compound is the only superconducting 2H-dichalcogenide which does not develop a charge density wave. At low temperature and low magnetic field, a Bean profile is observed, allowing to evaluate the critical current. Moreover, the anisotropy and temperature dependence of the first critical field in 2H-NbS{sub 2} was measured down to 1.2 K. A linear temperature dependence of the first penetration field is clearly observed. The absolute magnetic penetration depth is found to be 83 nm which is slightly reduced compared to the iso-structural compound 2H-NbSe{sub 2}.

  15. Effect of light on 2H/1H fractionation in lipids from continuous cultures of the diatom Thalassiosira pseudonana

    Science.gov (United States)

    Sachs, Julian P.; Maloney, Ashley E.; Gregersen, Joshua

    2017-07-01

    Continuous cultures of the marine diatom Thalassiosira pseudonana were grown at irradiances between 6 and 47 μmol m-2 s-1 in order to evaluate the effect of light on hydrogen isotope fractionation in lipids. δ2H values increased with irradiance in phytol by 1.1‰ (μmol m-2 s-1)-1 and by 0.3‰ (μmol m-2 s-1)-1 in the C14:0 fatty acid, but decreased by 0.8‰ (μmol m-2 s-1)-1 in the sterol 24-methyl-cholesta-5,24(28)-dien-3β-ol (C28Δ5,24(28)). The anticorrelation between δ2H values in C28Δ5,24(28) and irradiance is attributed to enhanced sterol precursor synthesis via the plastidic methylerythritol phosphate (MEP) pathway at high irradiance, relative to the cytosolic mevalonic acid (MVA) pathway, and the supposition that MEP precursors are 2H-depleted compared to MVA precursors because they incorporate a greater proportion of hydrogen from photosynthetically produced NADPH. Increasing δ2H values of phytol and C14:0 with irradiance is attributed to a greater proportion of pyruvate, the last common precursor to both lipids, being sourced from glycolysis in the mitochondria and cytosol, where enhanced incorporation of metabolic NADPH and further hydrogen exchange with cell water can enrich pyruvate with 2H relative to pyruvate from the chloroplast. Irrespective of the biosynthetic mechanisms responsible for the 2H/1H fractionation response to light, the high sensitivity of lipid δ2H values in T. pseudonana continuous cultures would result in -30‰ to +40‰ variations in δ2H over a 40 μmol m-2 s-1 range in sub-saturating irradiance if expressed in the environment, depending on the lipid.

  16. Water Mediated Synthesis of N′-Arylmethylene-4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazide Library

    Directory of Open Access Journals (Sweden)

    Mahesh M. Savant

    2014-01-01

    Full Text Available A novel two-step synthesis of 4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazide has been developed. The library of N′-arylmethylene-4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazide was generated by coupling of hydrazide to various aromatic and heterocyclic aldehydes in water media at ambient temperature with great flexibility regarding reaction time and yield.

  17. Water Mediated Synthesis of N′-Arylmethylene-4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazide Library

    OpenAIRE

    Savant, Mahesh M.; Pansuriya, Akshay M.; Bhuva, Chirag V.; Naval Kapuriya; Yogesh T. Naliapara

    2014-01-01

    A novel two-step synthesis of 4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazide has been developed. The library of N′-arylmethylene-4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazide was generated by coupling of hydrazide to various aromatic and heterocyclic aldehydes in water media at ambient temperature with great flexibility regarding reaction time and yield.

  18. ZnSe·0.5N2H4 hybrid nanostructures: a promising alternative photocatalyst for solar conversion.

    Science.gov (United States)

    Chen, Yu-Chih; Liu, Tao-Cheng; Hsu, Yung-Jung

    2015-01-28

    As the molecular precursor of ZnSe, ZnSe·0.5N2H4 inorganic-organic hybrids have received relatively less attention due to the feasibility of their further processing and decomposition into pure-phase ZnSe. Here we demonstrated that ZnSe·0.5N2H4 hybrid nanostructures, which were prepared using a facile hydrazine-assisted hydrothermal method, may practically harvest solar energy for photoconversion applications. By modulating the volume ratio of hydrazine hydrate to deionized water employed in the synthesis, the morphology of the grown ZnSe·0.5N2H4 can be varied, which included nanowires, nanobelts and nanoflakes. With the relatively long exciton lifetime and highly anisotropic structure, ZnSe·0.5N2H4 nanowires performed much better in the photodegradation of rhodamine B than the other two counterpart products. As compared to pure ZnSe nanoparticles and single-phase ZnSe nanowires obtained from further processing ZnSe·0.5N2H4, the ZnSe·0.5N2H4 hybrid nanowires exhibited superior photocatalytic performance under visible light illumination. The hybrid nanowires were further decorated with Au particles to endow them with structural and compositional diversities. Time-resolved photoluminescence spectra suggested that almost 40% of the photoexcited electrons in ZnSe·0.5N2H4 nanowires can be transported to the decorated Au, which enabled a fuller extent of participation of charge carriers in the photocatalytic process and thus conduced to a significant enhancement in the photocatalytic activity. The demonstrations from this work illustrate that ZnSe·0.5N2H4 hybrid nanostructures can serve as a versatile photocatalyst platform for advanced photocatalytic applications.

  19. Synthesis of 4-Triazolylamino- and 4-Benzothiazolylamino-3-nitro-2H-[1]-Benzopyran-2-ones and their Antimicrobial Activity

    Directory of Open Access Journals (Sweden)

    Ramiz Hoti

    2014-10-01

    Full Text Available Novel substituted benzopyran-2-one derivatives were synthesized by catalytic condensation reactions under reflux conditions. 4-(1,2,4-Triazolyl-3-amino-3-nitro-2H-[1]-benzopyran-2-ones 4(a-b were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2 and corresponding 3-aminotriazoles 3(a-b. 4-(4’-methoxy-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyran-2-one (4c, 4-(6’-nitro-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyiran-2-one (4d and 4-(6’-fluoro-2-benzothiazolylamino-3-nitro-2H-[1]-benzopyran-2-one (4e were synthesized by condensation of 4-chloro-3-nitro-2H-[1]-benzopyran-2-one (2 and corresponding 2-aminobenzothiazole 3(c-e under reflux reaction conditions. Further, alkali hydrolysis of 4(a-e afforded the 2-hydroxy-ω-nitroacetophenone (5. Antimicrobial activity of products 4(a-e against S. aurous, E. coli and Klebsiella were investigated measuring of inhibition zones around the discs which are marked with DMF, concentration 2 mg/mL, 4 mg/mL and 6 mg/mL solutions. Compounds 4c, 4e and 4d were more active against S. aureus. Emphatic activity against E. coli exhibited compounds 4b and 4e, whereas 4c and 4d were more active against Klebsiella.

  20. Interferometric Observations of High-Mass Star-Forming Clumps with Unusual N2H+/HCO+ Line Ratios

    CERN Document Server

    Stephens, Ian W; Sanhueza, Patricio; Whitaker, J Scott; Hoq, Sadia; Rathborne, Jill M; Foster, Jonathan B

    2015-01-01

    The Millimetre Astronomy Legacy Team 90 GHz (MALT90) survey has detected high-mass star-forming clumps with anomalous N$_2$H$^+$/HCO$^+$(1-0) integrated intensity ratios that are either unusually high ("N$_2$H$^+$ rich") or unusually low ("N$_2$H$^+$ poor"). With 3 mm observations from the Australia Telescope Compact Array (ATCA), we imaged two N$_2$H$^+$ rich clumps, G333.234-00.061 and G345.144-00.216, and two N$_2$H$^+$ poor clumps, G351.409+00.567 and G353.229+00.672. In these clumps, the N$_2$H$^+$ rich anomalies arise from extreme self-absorption of the HCO$^+$ line. G333.234-00.061 contains two of the most massive protostellar cores known with diameters of less than 0.1 pc, separated by a projected distance of only 0.12 pc. Unexpectedly, the higher mass core appears to be at an earlier evolutionary stage than the lower mass core, which may suggest that two different epochs of high-mass star formation can occur in close proximity. Through careful analysis of the ATCA observations and MALT90 clumps (incl...

  1. Pressure dependence of the absolute rate constant for the reaction Cl + C2H2 from 210-361 K

    Science.gov (United States)

    Brunning, J.; Stief, L. J.

    1985-01-01

    In recent years, considerable attention has been given to the role of chlorine compounds in the catalytic destruction of stratospheric ozone. However, while some reactions have been studied extensively, the kinetic data for the reaction of Cl with C2H2 is sparse with only three known determinations of the rate constant k3. The reactions involved are Cl + C2H2 yields reversibly ClC2H2(asterisk) (3a) and ClC2H2(asterisk) + M yields ClC2H2 + M (3b). In the present study, flash photolysis coupled with chlorine atomic resonance fluorescence have been employed to determine the pressure and temperature dependence of k3 with the third body M = Ar. Room temperature values are also reported for M = N2. The pressure dependence observed in the experiments confirms the expectation that the reaction involves addition of Cl to the unsaturated C2H2 molecule followed by collisional stabilization of the resulting adduct radical.

  2. Combining hydrometry observations with 2H and 18O tracers in Molteno formations, South Africa

    Science.gov (United States)

    Lorentz, S.; Gqiba, D.; Verhagen, B.

    2003-04-01

    The definition of flow generation mechanisms at the hillslope and small catchment scale (less than 10 sq. km) is important in quantifying runoff generation, low flow contributions as well as the consequences of land use change. In this paper, a research catchment on a Molteno formation in the northern Eastern Cape Province is described. Flow generation mechanisms on the hillslopes and nested sub-catchments have been studied for the past five years, prior to a change in land use to forestation. Observations of overland flow, soil water, perched saturated groundwater, rainfall and runoff are combined with 2H and 18O tracer signatures from these sources. These combined observations are applied to hillslope and catchment process simulations in order to quantify the residence times and fluxes of the sources of runoff. Analyses of intense rainfall events reveal that the dominant source of streamflow is from near-surface, macro-pore layers during these events. Deeper groundwater sources contribute to runoff during low intensity events.

  3. Synthesis and Crystal Structure of the Bioinorganic Complex [Sb(Hedta]·2H2O

    Directory of Open Access Journals (Sweden)

    Di Li

    2014-01-01

    Full Text Available The antimony(III complex [Sb(Hedta]·2H2O was synthesized with ethylenediaminetetraacetic acid (H4edta and antimonous oxide as main raw materials in aqueous solution. The composition and structure of the complex were characterized by elemental analysis, infrared spectra, single crystal X-ray diffraction, X-ray powder diffraction, thermogravimetry, and differential scanning calorimetry. The crystal structure of the antimony(III complex belongs to orthorhombic system, space group Pna2(1, with cell parameters of a=18.4823(18 Å, b=10.9408(12 Å, c=7.3671(5 Å, V=1489.7(2 Å3, Z=4, and Dc=1.993 g cm−3. The Sb(III ion is five-coordinated by two amido N atoms and three carboxyl O atoms from a single Hedta3− ligand, forming a distorted trigonal bipyramid geometry. The thermal decomposition processes of the complex include dehydration, oxidation, and pyrolysis of the ligand, and the last residue is Sb2O3 at the temperature of 570°C.

  4. The H2O2-H2O Hypothesis: Extremophiles Adapted to Conditions on Mars?

    Science.gov (United States)

    Houtkooper, Joop M.; Schulze-Makuch, Dirk

    2007-08-01

    The discovery of extremophiles on Earth is a sequence of discoveries of life in environments where it had been deemed impossible a few decades ago. The next frontier may be the Martian surface environment: could life have adapted to this harsh environment? What we learned from terrestrial extremophiles is that life adapts to every available niche where energy, liquid water and organic materials are available so that in principle metabolism and propagation are possible. A feasible adaptation mechanism to the Martian surface environment would be the incorporation of a high concentration of hydrogen peroxide in the intracellular fluid of organisms. The H2O2-H2O hypothesis suggests the existence of Martian organisms that have a mixture of H2O2 and H2O instead of salty water as their intracellular liquid (Houtkooper and Schulze-Makuch, 2007). The advantages are that the freezing point is low (the eutectic freezes at 56.5°C) and that the mixture is hygroscopic. This would enable the organisms to scavenge water from the atmosphere or from the adsorbed layers of water molecules on mineral grains, with H2O2 being also a source of oxygen. Moreover, below its freezing point the H2O2-H2O mixture has the tendency to supercool. Hydrogen peroxide is not unknown to biochemistry on Earth. There are organisms for which H2O2 plays a significant role: the bombardier beetle, Brachinus crepitans, produces a 25% H2O2 solution and, when attacked by a predator, mixes it with a fluid containing hydroquinone and a catalyst, which produces an audible steam explosion and noxious fumes. Another example is Acetobacter peroxidans, which uses H2O2 in its metabolism. H2O2 plays various other roles, such as the mediation of physiological responses such as cell proliferation, differentiation, and migration. Moreover, most eukaryotic cells contain an organelle, the peroxisome, which mediates the reactions involving H2O2. Therefore it is feasible that in the course of evolution, water-based organisms

  5. Influence of 2p-2h configurations on beta-decay rates

    CERN Document Server

    Severyukhin, A P; Borzov, I N; Arsenyev, N N; Van Giai, Nguyen

    2014-01-01

    The effects of the phonon-phonon coupling on the beta-decay rates of neutron-rich nuclei are studied in a microscopic model based on Skyrme-type interactions. The approach uses a finite-rank separable approximation of the Skyrme-type particle-hole (p-h) residual interaction. Very large two-quasiparticle spaces can thus be treated. A redistribution of the Gamow-Teller (G-T) strength is found due to the tensor correlations and the 2p-2h fragmentation of G-T states. As a result, the beta-decay half-lives are decreased significantly. Using the Skyrme interaction SGII together with a volume-type pairing interaction we illustrate this reduction effect by comparing with available experimental data for the Ni isotopes and neutron-rich N=50 isotones. We give predictions for 76Fe and 80Ni in comparison with the case of the doubly-magic nucleus 78Ni which is an important waiting point in the r-process.

  6. Evidence for the complicated Fermi surface in 2H- and 4H-NbSe$_2$

    Indian Academy of Sciences (India)

    I NAIK; A K RASTOGI

    2016-09-01

    In this study, we have found superconducting state (SC) at 7.4 and 6.4 K and charge density wave state (CDW) at 35 and 42 K in our 2H- and 4H-NbSe$_2$ single crystals, respectively. Besides this, there exists a positive magneto-resistance (MR) below the CDWtransition temperature on both the crystals. Therefore, we have calculated their fractional change in MR i.e., $\\Delta \\rho/\\rho_0$ around 8 K in $H_{\\perp}$ plane of NbSe$_2$ and $H_{\\parallel}$ plane of NbSe$_2$ configurations. Both single crystals show anisotropic $\\Delta \\rho/\\rho_0$, which are described by Kohler’s rule, two-band model and magnetic breakdown model. In the present scenario, the magnetic breakdown model explains our anisotropic $\\Delta \\rho/\\rho_0$ better than other two models: Kohler’s and two-band model. This model also established the presence of complicated Fermi surface on both single crystals.

  7. Near threshold angular distributions of the $^2$H$(\\gamma,\\Lambda)$X reaction

    CERN Document Server

    Beckford, B; Chiba, A; Doi, D; Fujii, T; Fujii, Y; Futatsukawa, K; Gogami, T; Hashimoto, O; Honda, R; Hosomi, K; Kanda, H; Kaneta, M; Kaneko, Y; Kato, S; Kawama, D; Kimura, C; Kiyokawa, S; Koike, T; Maeda, K; Makabe, K; Matsubara, M; Miwa, K; Nagao, S; Nakamura, S N; Okuyama, A; Shirotori, K; Sugihara, K; Tamura, H; Tsukada, K; Yagi, K; Yamamoto, F; Yamamoto, T O; Han, Y C; Hirose, K; Ishikawa, T; Suzuki, K; Tamae, T; Yamazaki, H

    2013-01-01

    A study of the $^2$H$({\\gamma},{\\Lambda})$X reaction was performed using a tagged photon beam at the Research Center for Electron Photon Science (ELPH), Tohoku University. The photoproduced $\\Lambda$ was measured in the $p{\\pi^{-}}$ decay channel by the upgraded Neutral Kaon Spectrometer (NKS2+). The momentum integrated differential cross section was determined as a function of the scatting angle of ${\\Lambda}$ in the laboratory frame for five energy bins. Our results indicated a peak in the cross section at angles smaller than cos$\\theta^{LAB}_{\\Lambda}$ = 0.95. The experimentally obtained angular distributions were compared to isobar models, Kaon-Maid (KM) and Saclay-Lyon A (SLA), in addition to the composite Regge-plus-resonance (RPR) model. Both SLA(r$K_{1}K_{\\gamma}$ = -1.4) and RPR describe the tendency of the data quite well in contrast to the KM model that substantially under predicted the cross section. With the anticipated forthcoming data on ${\\Lambda}$ integrated and momentum dependent differentia...

  8. Theoretical study of radiative electron attachment to CN, C2H, and C4H radicals

    CERN Document Server

    Douguet, Nicolas; Raoult, Maurice; Dulieu, Olivier; Orel, Ann E; Kokoouline, Viatcheslav

    2015-01-01

    A first-principle theoretical approach to study the process of radiative electron attachment is developed and applied to the negative molecular ions CN$^-$, C$_4$H$^-$, and C$_2$H$^-$. Among these anions, the first two have already been observed in the interstellar space. Cross sections and rate coefficients for formation of these ions by radiative electron attachment to the corresponding neutral radicals are calculated. For completeness of the theoretical approach, two pathways for the process have been considered: (i) A direct pathway, in which the electron in collision with the molecule spontaneously emits a photon and forms a negative ion in one of the lowest vibrational levels, and (ii) an indirect, or two-step pathway, in which the electron is initially captured through non-Born-Oppenheimer coupling into a vibrationally resonant excited state of the anion, which then stabilizes by radiative decay. We develop a general model to describe the second pathway and show that its contribution to the formation o...

  9. Supramolecular order and structural dynamics: A STM study of 2H-tetraphenylporphycene on Cu(111)

    Energy Technology Data Exchange (ETDEWEB)

    Stark, Michael; Träg, Johannes; Ditze, Stefanie; Steinrück, Hans-Peter; Marbach, Hubertus, E-mail: hubertus.marbach@fau.de [Lehrstuhl für Physikalische Chemie II, Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Interdisciplinary Center for Molecular Materials (ICMM), Universität Erlangen-Nürnberg, Henkestr. 42, 91054 Erlangen (Germany); Brenner, Wolfgang; Jux, Norbert [Lehrstuhl für Organische Chemie II, Universität Erlangen-Nürnberg, Henkestr. 42, 91054 Erlangen (Germany)

    2015-03-14

    The adsorption of 2H-tetraphenylporphycene (2HTPPc) on Cu(111) was investigated by scanning tunneling microscopy (STM). At medium coverages, supramolecular ordered islands are observed. The individual 2HTPPc molecules appear as two pairs of intense protrusions which are separated by an elongated depression. In the islands, the molecules are organized in rows oriented along one of the close packed Cu(111) substrate rows; the structure is stabilized by T-type interactions of the phenyl substituents of neighboring molecules. Two types of rows are observed, namely, highly ordered rows in which all molecules exhibit the same orientation, and less ordered rows in which the molecules exhibit two perpendicular orientations. Altogether, three different azimuthal orientations of 2HTPPc are observed within one domain, all of them rotated by 15° ± 1° relative to one closed packed Cu direction. The highly ordered rows are always separated by either one or two less ordered rows, with the latter structure being the thermodynamically more stable one. The situation in the islands is highly dynamic, such that molecules in the less ordered rows occasionally change orientation, also complete highly ordered rows can move. The supramolecular order and structural dynamics are discussed on the basis of the specific molecule-substrate and molecule-molecule interactions.

  10. Narrow structure in η-photoproducion off {sup 2}H and {sup 3}He

    Energy Technology Data Exchange (ETDEWEB)

    Witthauer, Lilian; Werthmueller, Dominik [Department of Physics, University of Basel (Switzerland); Collaboration: A2-Collaboration

    2013-07-01

    Large efforts have been made in the last years to investigate the complicated excitation spectrum of the nucleons. Especially η-Photoproduction has been studied by many collaborations. Experiments at CBELSA/TAPS and GRAAL revealed a bump-like structure in the quasi-free η-Photoproduction on the neutron, which is not seen on the proton (I. Jaegle et al., PRL 100 (2008), V.Kuznetsov et al., PLB 647 (2007)). To examine this structure high statistics experiments using the A2 detector setup with the Crystal Ball calorimeter and the TAPS detector at the electron acceleration facility MAMI have been carried out. To exclude any possibility that the structure could arise from nuclear effects, η-photoproduction in coincidence with recoil nucleons has been measured on two different targets, namely {sup 2}H and {sup 3}He. This talk gives an overview over the final results on quasi-free inclusive and exclusive η-Photoproduction off quasi-free protons and neutrons.

  11. 2,3,5-Triphenyl-2H-tetrazol-3-ium iodide

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2012-09-01

    Full Text Available The asymmetric unit of the title molecular salt, C19H15N4+·I−, contains four 2,3,5-triphenyl-2H-tetrazol-3-ium cations and five iodide anions, with two of the latter lying on crystallographic inversion centres. In each cation, the tetrazole ring is essentially planar (r.m.s. deviations = 0.004–0.007 Å. The dihedral angles between the tetrazole ring and its three attached benzene rings in the four independent cations are: 12.9 (4, 67.0 (4, 48.1 (4; 20.8 (4, 51.1 (4, 62.3 (4; 11.4 (4, 52.3 (4, 47.3 (4 and 6.0 (4, 85.7 (4, 43.5 (4°. A C—H...I hydrogen bond and C—H...π interactions are observed in the crystal.

  12. Gas-phase CO depletion and N2H+ abundances in starless cores

    CERN Document Server

    Lippok, N; Semenov, D; Stutz, A M; Balog, Z; Henning, Th; Krause, O; Linz, H; Nielbock, M; Pavlyuchenkov, Ya N; Schmalzl, M; Schmiedeke, A; Bieging, H J

    2013-01-01

    Seven isolated, nearby low-mass starless molecular cloud cores have been observed as part of the Herschel key program Earliest Phases of Star formation (EPoS). By applying a ray-tracing technique to the obtained continuum emission and complementary (sub)mm emission maps, we derive the physical structure (density, dust temperature) of these cloud cores. We present observations of the 12CO, 13CO, and C18O (2-1) and N2H+ (1-0) transitions towards the same cores. Based on the density and temperature profiles, we apply time-dependent chemical and line-radiative transfer modeling and compare the modeled to the observed molecular emission profiles. CO is frozen onto the grains in the center of all cores in our sample. The level of CO depletion increases with hydrogen density and ranges from 46% up to more than 95% in the core centers in the core centers in the three cores with the highest hydrogen density. The average hydrogen density at which 50% of CO is frozen onto the grains is 1.1+-0.4 10^5 cm^-3. At about this...

  13. Surfactant effect on persistence of oxadiazolyl 3(2H)-pyridazinones against Pseudaletia separata walker.

    Science.gov (United States)

    Huang, Qingchun; Wu, Jihua; Kong, Yuping; Liu, Manhui; Cao, Song

    2007-01-01

    The photodynamic decomposition of two new insect-growth inhibitors (IGRs), 2-tert-butyl-5-[5'-aryl-2'-(1',3',4'-oxadiazolyl)methoxy]-3(2H)-pyridazinones (OPB) and its 4-chloro substituted derivative (OPC), and effect of surfactants on persistence of their bioactivity were taken into investigation. Both chemicals were significantly induced to photolysis by ultraviolet light at 365 nm wavelength and their inhibitory activities against Pseudaletia separata larvae decreased with the increasing irradiation time. However, irradiation at 254 nm wavelength didn't cause their photodegradation. Triton X-100 and Succinic-sulfonie acidic sodium but not Tween 60 possessed strong capability to slow down the decomposition and obviously prolonged the half life of OPC in laboratory and field whilst effects of the three surfactants almost did not preserve the inhibitory activity of OPB. Data suggested that electron-withdrawing halogen (-Cl) on the pi electron system in planar benzene-oxadialyl structures might reduce the efficiency of OPC on ultraviolet (UV) photoabsorption, and its hydrophobic interaction with the surfactants might be beneficial for forming stable micellar solubilization, thus sustaining the chemical's bioactivity.

  14. Equilibrium of hydroxyl complex ions in Pb2+-H2O system

    Institute of Scientific and Technical Information of China (English)

    WANG Yun-yan; CHAI Li-yuan; CHANG Hao; PENG Xiao-yu; SHU Yu-de

    2009-01-01

    The thermodynamics equilibrium principle was used to construct the diagrams for the concentration of complex ions (pc) vs pH, the distribution ratio of lead hydroxyl complex ions (αn) vs pH, and the conditional solubility product of Pb(OH)2 vs pH in the Pb2+-H2O system. The relationship between the equilibrium concentration of each kind of lead hydroxyl complex ions in equilibrium with Pb(OH)2(s) and pH value was shown in the system. The minimum solubility of lead is at the pH value of 10.096-10.997. The distribution ratio of each kind of the lead hydroxyl complex ions is determined as a function of the pH value and the total lead concentration ([Pb]T). The diagram for the conditional solubility product, pKSP vs pH, shows that each kind of lead hydroxyl complex ions existing in the system is dependent upon an optimized pH value at the established concentration of [Pb]T, and that pKSP reaches the minimum at the pH value of 10.3-11.2. The results can provide a theoretical basis for removing lead ions from wastewater by the neutralization and hydrolyzation technology.

  15. Synthesis, structural and spectroscopic studies of 2-oxoacenaphthylen-1(2H)-ylidene nicotinohydrazide.

    Science.gov (United States)

    Henriques, M S C; Del Amparo, R; Pérez-Álvarez, D; Nogueira, B A; Rodríguez-Argüelles, M C; Paixão, J A

    2017-02-05

    The synthesis of a new hydrazone, 2-oxoacenaphthylen-1(2H)-ylidene nicotinohydrazide, and its structural and spectroscopic characterization is reported. The obtained powder was recrystallized from DMSO and ethanol that afforded small crystals used for single-crystal X-ray diffraction studies. The compound was found to crystallize in two polymorphs, depending on the crystallization conditions. One of the polymorphs (form I) crystallizes in the centrosymmetric P21/c monoclinic space group, the other (form II) crystallizes in the non-centrosymmetric, but achiral, orthorhombic space group P212121. Conformation of the molecules is similar in both polymorphs, but the network of weak intermolecular interactions determining the crystal packing is different. In form II an additional C-H⋯O bond connects molecules related by the screw-axis running parallel to the a-axis. Crystals of both polymorphs were also screened by FT-IR and Raman microscopy; a detailed analysis of the spectra and comparison with those of the isolated molecule calculated by ab-initio HF/MP2 and DFT/B3LYP methods using a correlation consistent cc-pVDZ basis set is presented. In addition, UV-vis and NMR studies were performed in solution.

  16. Synthesis, structural and spectroscopic studies of 2-oxoacenaphthylen-1(2H)-ylidene nicotinohydrazide

    Science.gov (United States)

    Henriques, M. S. C.; Del Amparo, R.; Pérez-Álvarez, D.; Nogueira, B. A.; Rodríguez-Argüelles, M. C.; Paixão, J. A.

    2017-02-01

    The synthesis of a new hydrazone, 2-oxoacenaphthylen-1(2H)-ylidene nicotinohydrazide, and its structural and spectroscopic characterization is reported. The obtained powder was recrystallized from DMSO and ethanol that afforded small crystals used for single-crystal X-ray diffraction studies. The compound was found to crystallize in two polymorphs, depending on the crystallization conditions. One of the polymorphs (form I) crystallizes in the centrosymmetric P21/c monoclinic space group, the other (form II) crystallizes in the non-centrosymmetric, but achiral, orthorhombic space group P212121. Conformation of the molecules is similar in both polymorphs, but the network of weak intermolecular interactions determining the crystal packing is different. In form II an additional C-H⋯O bond connects molecules related by the screw-axis running parallel to the a-axis. Crystals of both polymorphs were also screened by FT-IR and Raman microscopy; a detailed analysis of the spectra and comparison with those of the isolated molecule calculated by ab-initio HF/MP2 and DFT/B3LYP methods using a correlation consistent cc-pVDZ basis set is presented. In addition, UV-vis and NMR studies were performed in solution.

  17. Isomerization, Perturbations, Calculations and the S_{1} State of C_{2}H_{2}

    Science.gov (United States)

    Baraban, J. H.; Changala, P. B.; Berk, J. R. P.; Field, R. W.; Stanton, J. F.; Merer, A. J.

    2013-06-01

    Preliminary analysis of the energy region of the cis-trans isomerization transition state on the S_{1} surface of C_{2}H_{2} has revealed novel patterns and surprising perturbations, including unusually large (and high-order) anharmonicities, as well as K-staggerings of several vibrational levels. These effects complicate the analysis considerably, and require new models and calculations to account for and predict features of the observed spectra. The ˜{A}-˜{X} spectrum of acetylene has been studied both experimentally and theoretically for almost a century, and this cycle of unexpected phenomena eliciting innovative responses is found throughout its history. Especially in the last ten years, progress in understanding the S_{1} state rovibrational level structure and cis-trans isomerization has been accelerated by combining the information available from both ab initio computation and spectroscopic observations. The resulting dialogue has then frequently suggested fruitful avenues for further experiments and calculations. Current challenges and recent results in understanding the cis-trans isomerization transition state region will be discussed in this context.

  18. Monascus secondary metabolites monascin and ankaflavin inhibit activation of RBL-2H3 cells.

    Science.gov (United States)

    Chang, Yu-Ying; Hsu, Wei-Hsuan; Pan, Tzu-Ming

    2015-01-14

    Monascus-fermented products have been used as dietary food and traditional medicine due to their beneficial effects on circulation and digestive systems in Asia for thousands of years. Besides, monascin and ankaflavin, secondary metabolites from Monascus-fermented products, have proven anti-inflammatory and immunomodulatory effects. In previous research, monascin and ankaflavin ameliorated ovalbumin-induced airway allergic reaction often used as a type I allergy asthma model. Additionally, mast cells play critical roles in type I allergy. Therefore, RBL-2H3 cells were used as the mast cell model to determine whether the improving effects on asthma of monascin and ankaflavin came from influencing mast cells. PMA and ionomycin are common activators of mast cells because they stimulate the main signaling molecules during mast cell activation. Forty micromolar monascin and ankaflavin inhibited PMA/ionomycin-induced mast cell degranulation and TNF-α secretion through suppressing the phosphorylation of PKC and MAPK family ERK, JNK, and p38. Consequently, monascin and ankaflavin affected the activation of mast cells and may have the potential to improve type I allergy.

  19. Spectroscopy Studying on Derivatives 2H-azepine [1,5] PrS- migration Reaction%2H-氮杂卓衍生物[1,5]迁移反应的光谱学特征

    Institute of Scientific and Technical Information of China (English)

    金月仙

    2009-01-01

    氮杂卓化合物存在1H-,2H-,3H-和4H-共4个互变异构体,其中,2H-,3H-系统是最重要的.2H-氮杂卓母体化合物很不稳定,4位存在叔-丁基,并且环上含有丙硫基(PrS-)取代基的2H-氮杂卓,不仅发生H迁移,也能发生PrS-迁移,向较稳定的3H-氮杂卓异构化.以2,7-二甲氧基-4-甲基-2H-氮杂卓为原料,通过与Pr-SH的取代反应,合成7-甲氧基-4-甲基-2-PrS-2H-氮杂卓,并讨论分析产物的[1,5]迁移反应.通过IR、1H NMR、13C NMR、MS检测表明,在室温条件下,4位存在甲基的2H-氮杂卓衍生物,选择性地发生[1,5]PrS-迁移,生成3H-氮杂卓,而且此异构化反应速度比叔-丁基存在时的情况更快.

  20. Simulation of nanoparticle coagulation in radio-frequency C2H2/Ar microdischarges

    Science.gov (United States)

    Xiang-Mei, Liu; Qi-Nan, Li; Rui, Li

    2016-06-01

    The nanoparticle coagulation is investigated by using a couple of fluid models and aerosol dynamics model in argon with a 5% molecular acetylene admixture rf microdischarges, with the total input gas flow rate of 400 sccm. It co-exists with a homogeneous, secondary electron-dominated low temperature γ-mode glow discharges. The heat transfer equation and flow equation for neutral gas are taken into account. We mainly focused on investigations of the nanoparticle properties in atmospheric pressure microdischarges, and discussed the influences of pressure, electrode spacing, and applied voltage on the plasma density and nanoparticle density profiles. The results show that the characteristics of microdischarges are quite different from those of low pressure radio-frequency discharges. First, the nanoparticle density in the bulk plasma in microdischarges is much larger than that of low pressure discharges. Second, the nanoparticle density of 10 nm experiences an exponential increase as soon as the applied voltage increases, especially in the presheath. Finally, as the electrode spacing increases, the nanoparticle density decreased instead of increasing. Project supported by the Natural Science Foundation of Heilongjiang Province, China (Grant Nos. A2015011 and A2015010), the Postdoctoral Scientific Research Development Fund of Heilongjiang Province, China (Grant No. LBH-Q14159), the Program for Young Teachers Scientific Research in Qiqihar University (Grant No. 2014k-Z11), the National Natural Science Foundation of China (Grant No. 11404180), and the University Nursing Program for Yong Scholars with Creative Talents in Heilongjiang Province, China (Grant No. UNPYSCT-2015095).

  1. Pharmacokinetic equivalence of 5(ethyl(/sup 2/H)5)- and unlabelled phenobarbitone

    Energy Technology Data Exchange (ETDEWEB)

    Benchekroun, Y.; Ribon, B.; Falconnet, J.B.; Cherrah, Y.; Brazier, J.L.

    1989-02-01

    The present study shows the absence of in vivo pharmacokinetic isotope effect on phenobarbitone (PB) C5-ethyl deuteration (PBd5) following oral administration to man of equimolar PB/PBd5 mixtures (0.40 mmol each). Plasma PB and PBd5 (17 days) and urine PB, PBd5 and parahydroxy-metabolites (PBOH, PBHOd5) levels were determined by GC-MS. Isotope effect research includes comparison of pharmacokinetic parameters, study of time-dependence of isotope ratios (IRs) in plasma and urine (linearity test), comparison of IRs between samples and administered mixtures (Mann Whitney's test) and comparison of PBOH/PBOHd5 ratios before and after urine enzymatic hydrolysis (Student's two tailed t-test). No significant isotope effect was observed on pharmacokinetic parameters, PB hydroxylation or PBOH conjugation (x less than or equal to 5%); which the absence of pentadeuteration-induced alteration in PB's HSA binding parameters (binding mode, Ka, N) corroborates (x less than or equal to 5%). These results establish bioequivalence of PB and PBd5; the latter can be used with benefit in stable-isotope clinical pharmacology (steady state pharmacokinetics, drug interactions...) investigations as well as bioavailability studies of PB preparations.

  2. Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma enhanced CVD system: the effect of different gas mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Mao, M; Bogaerts, A, E-mail: ming.mao@ua.ac.b [Research Group PLASMANT, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610 Antwerp (Belgium)

    2010-05-26

    A hybrid model, called the hybrid plasma equipment model (HPEM), was used to study an inductively coupled plasma in gas mixtures of H{sub 2} or NH{sub 3} with CH{sub 4} or C{sub 2}H{sub 2} used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs). The plasma properties are discussed for different gas mixtures at low and moderate pressures, and the growth precursors for CNTs/CNFs are analysed. It is found that C{sub 2}H{sub 2}, C{sub 2}H{sub 4} and C{sub 2}H{sub 6} are the predominant molecules in CH{sub 4} containing plasmas besides the feedstock gas, and serve as carbon sources for CNT/CNF formation. On the other hand, long-chain hydrocarbons are observed in C{sub 2}H{sub 2}-containing plasmas. Furthermore, the background gases CH{sub 4} and C{sub 2}H{sub 2} show a different decomposition rate with H{sub 2} or NH{sub 3} addition at moderate pressures.

  3. DNA methylation of the IGF2/H19 imprinting control region and adiposity distribution in young adults

    Directory of Open Access Journals (Sweden)

    Huang Rae-Chi

    2012-11-01

    Full Text Available Abstract Background The insulin-like growth factor 2 (IGF2 and H19 imprinted genes control growth and body composition. Adverse in-utero environments have been associated with obesity-related diseases and linked with altered DNA methylation at the IGF2/H19 locus. Postnatally, methylation at the IGF2/H19 imprinting control region (ICR has been linked with cerebellum weight. We aimed to investigate whether decreased IGF2/H19 ICR methylation is associated with decreased birth and childhood anthropometry and increased contemporaneous adiposity. DNA methylation in peripheral blood (n = 315 at 17 years old was measured at 12 cytosine-phosphate-guanine sites (CpGs, analysed as Sequenom MassARRAY EpiTYPER units within the IGF2/H19 ICR. Birth size, childhood head circumference (HC at six time-points and anthropometry at age 17 years were measured. DNA methylation was investigated for its association with anthropometry using linear regression. Results The principal component of IGF2/H19 ICR DNA methylation (representing mean methylation across all CpG units positively correlated with skin fold thickness (at four CpG units (P-values between 0.04 to 0.001 and subcutaneous adiposity (P = 0.023 at age 17, but not with weight, height, BMI, waist circumference or visceral adiposity. IGF2/H19 methylation did not associate with birth weight, length or HC, but CpG unit 13 to 14 methylation was negatively associated with HC between 1 and 10 years. β-coefficients of four out of five remaining CpG units also estimated lower methylation with increasing childhood HC. Conclusions As greater IGF2/H19 methylation was associated with greater subcutaneous fat measures, but not overall, visceral or central adiposity, we hypothesize that obesogenic pressures in youth result in excess fat being preferentially stored in peripheral fat depots via the IGF2/H19 domain. Secondly, as IGF2/H19 methylation was not associated with birth size but negatively with early childhood HC, we

  4. DNA methylation of the IGF2/H19 imprinting control region and adiposity distribution in young adults.

    Science.gov (United States)

    Huang, Rae-Chi; Galati, John C; Burrows, Sally; Beilin, Lawrence J; Li, Xin; Pennell, Craig E; van Eekelen, Jam; Mori, Trevor A; Adams, Leon A; Craig, Jeffrey M

    2012-11-13

    The insulin-like growth factor 2 (IGF2) and H19 imprinted genes control growth and body composition. Adverse in-utero environments have been associated with obesity-related diseases and linked with altered DNA methylation at the IGF2/H19 locus. Postnatally, methylation at the IGF2/H19 imprinting control region (ICR) has been linked with cerebellum weight. We aimed to investigate whether decreased IGF2/H19 ICR methylation is associated with decreased birth and childhood anthropometry and increased contemporaneous adiposity.DNA methylation in peripheral blood (n = 315) at 17 years old was measured at 12 cytosine-phosphate-guanine sites (CpGs), analysed as Sequenom MassARRAY EpiTYPER units within the IGF2/H19 ICR. Birth size, childhood head circumference (HC) at six time-points and anthropometry at age 17 years were measured. DNA methylation was investigated for its association with anthropometry using linear regression. The principal component of IGF2/H19 ICR DNA methylation (representing mean methylation across all CpG units) positively correlated with skin fold thickness (at four CpG units) (P-values between 0.04 to 0.001) and subcutaneous adiposity (P = 0.023) at age 17, but not with weight, height, BMI, waist circumference or visceral adiposity. IGF2/H19 methylation did not associate with birth weight, length or HC, but CpG unit 13 to 14 methylation was negatively associated with HC between 1 and 10 years. β-coefficients of four out of five remaining CpG units also estimated lower methylation with increasing childhood HC. As greater IGF2/H19 methylation was associated with greater subcutaneous fat measures, but not overall, visceral or central adiposity, we hypothesize that obesogenic pressures in youth result in excess fat being preferentially stored in peripheral fat depots via the IGF2/H19 domain. Secondly, as IGF2/H19 methylation was not associated with birth size but negatively with early childhood HC, we hypothesize that the HC may be a more sensitive

  5. Synthesis, structure and NMR characterization of a new monomeric aluminophosphate [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4 containing four different types of monophosphates

    Science.gov (United States)

    Chen, Peng; Li, Jiyang; Xu, Jun; Duan, Fangzheng; Deng, Feng; Xu, Ruren

    2009-03-01

    A new zero-dimensional (0D) aluminophosphate monomer [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4 (designated AlPO-CJ38) with Al/P ratio of 1/6 has been solvothermally prepared by using racemic cobalt complex dl-Co(en) 3Cl 3 as the template. The Al atom is octahedrally linked to six P atoms via bridging oxygen atoms, forming a unique [Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2] 6- monomer. Notably, there exists intramolecular symmetrical O⋯H⋯O bonds, which results in pseudo-4-rings stabilized by the strong H-bonding interactions. The structure is also featured by the existence of four different types of monophosphates that have been confirmed by 31P NMR and 1H NMR spectra. The crystal data are as follows: AlPO-CJ38, [ dl-Co(en) 3] 2[Al(HPO 4) 2(H 1.5PO 4) 2(H 2PO 4) 2](H 3PO 4) 4, M = 1476.33, monoclinic, C2/ c (No. 15), a = 36.028(7) Å, b = 8.9877(18) Å, c = 16.006(3) Å, β = 100.68(3)°, U = 5093.2(18) Å 3,Z = 4, R1 = 0.0509 ( I > 2 σ( I)) and wR2 = 0.1074 (all data). CCDC number 689491.

  6. N2H4·H2O水热体系ZnO微晶的结晶特性%ZnO microcrystal growth in hydrothermal processing with N2H4·H2O

    Institute of Scientific and Technical Information of China (English)

    刘长友; 谷智; 王涛; 查钢强; 介万奇

    2011-01-01

    研究了低浓度(0.01~0.20mol/L)N2H4.H2O条件下ZnO微晶的低温水热结晶特性。N2H4.H2O弱碱性和N2H5+吸附配位性影响ZnO微晶的形核和各晶面的生长速率。随着N2H4.H2O浓度的提高,ZnO微晶分别呈板条状、六角片状和六角棒束状。碱性分散剂和超声的分散作用影响主要在成核阶段;受分散剂弱碱性的影响,0.20mol/L N2H4.H2O显现出强的还原性,N2气泡模板生长机制使所制ZnO微晶呈六角管状晶须束。%ZnO microcrystal growth was investigated under a low temperature hydrothermal process with a relatively low concentration of N2H4·H2O(0.01-0.20mol/L).The nucleation and the growth rates of various crystal planes are strongly affected by the weak alkalinity of N2H4·H2O and the co-ordinative activity of N2H+5 ion.ZnO microcrystals change from oatmeal-like plate to hexagonal plate,and then to hexagonal rod-like cluster with increasing of N2H4·H2O concentrations,respectively.The nucleations of ZnO microcrystals are influenced by the alkaline dispersant and ultrasonic treatment.The solution of 0.20mol/L N2H4·H2O with the alkaline dispersant has a strong reducibility,which changes the mechanism of nucleation and growth of ZnO microcrystals.The center-hollow hexagonal rod-like ZnO clusters were obtained through the N2 bubble template-growth route.

  7. Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2—H2O and C2H4—H2O complexes

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

    2017-01-01

    THz absorption spectra have been recorded for the weakly bound molecular complexes of H2O with C2H4 and C2H2 embedded in cryogenic neon matrices at 2.8 K. The observation and assignment of a large-amplitude acceptor OH librational mode of the C2H2—H2O complex at 145.5 cm−1 confirms...... an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4—H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen......-bonded configuration with the H2O subunit acting as the hydrogen bond donor to the π-cloud of C2H4. A (semi)-empirical value for the change of vibrational zero-point energy of 4.0–4.1 kJ mol−1 is proposed and the combination with quantum chemical calculations at the CCSD(T)-F12b/aug-cc-pVQZ level provides a reliable...

  8. Solid state synthesis, spectroscopic and X-ray studies of metal complexes of 2-picolinic acid and vapochromic behavior of [Co(Pic)2(H2O)2]·2H2O

    Science.gov (United States)

    Tella, Adedibu C.; Oladipo, Adetola C.; Adeyemi, Olalere G.; Oluwafemi, Oluwatobi S.; Oguntoye, Stephen O.; Alimi, Lukman O.; Ajayi, Joseph T.; Degni, Sylvestre K.

    2017-06-01

    Three compounds, [Cu(Pic)2(H2O)] (1a), [M(Pic)2(H2O)2]·2H2O] (M=Co (2a), Zn (3a), Pic = 2-picolinic acid) were obtained by solvent-free synthesis through grinding of metal acetate salt with 2-picolinic acid. Favorable comparison of solvent-free with solution based method of 1b, 2b and 3b was observed. Good resemblance of identity of compounds obtained through the two methods was confirmed by elemental analysis, spectroscopic techniques (UV-Vis and FTIR), TGA and PXRD. The single crystal diffraction data for [Co(Pic)2(H2O)2]·2H2O obtained from the Cambridge structure database (CSD), its PXRD simulated patterns closely matched that of complex 2a by solvent-free synthesis. Vapochromic behavior of this complex was studied using colour change, FT-IR, TGA, PXRD and solid state UV-visible spectroscopies. This complex generated specific colour which is also evident in the shifting of the vibrational frequencies (νO-H and ν C=O bands). The resulting inclusion compounds have different colours depending on the solvent used. In addition, exposure of the resultant inclusion compounds to ambient environment or heating for a few minutes regenerate the original material without degradation even after exposure/heating cycles as evident from TGA/DTG thermograms.

  9. 负电水氨混合团簇[ (NH3)2(H2O)4]-的DFT研究%THE IVESTIGATION OF ELECTRONEGATIVE WATER- AMMONIA MIXED CLUSTER [ ( NH3 )2 ( H2O )4 ]- BY DFT

    Institute of Scientific and Technical Information of China (English)

    朱磊; 胡维军

    2012-01-01

    We conduct the structural optimization and frequency calculation for one added electron cluster [ (NH3)2(H2O)4] - by the theory method of DFT/BLYP and the basis group with the dispersion function. The binding energy,vibration spectrum and dipole moment are calculated, also the binding fashion and the distribution area of electron are analysed. For the sake of contrast,the neutral cluster (NH3)2(H2O)4 by the same method is calculated, and then the relation and difference between negative and neutral clusters are investigated.%采用DFT/BLYP理论方法和添加额外弥散函数的基组6-31(3+)(1+)G**对包含一个额外电子的[(NH3)2(H2O)4]-团簇进行了结构优化和频率分析.计算了[(NH3)2(H2O)4]-的结合能,振动谱和偶极矩,对电子的束缚方式和电子分布区域也进行了分析.为了比较,还用相同方法对中性团簇(NH3)2(H2O)4进行了计算,进而研究了负电与中性团簇的联系与区别.

  10. 2H2O incorporation into hepatic acetyl-CoA and de novo lipogenesis as measured by Krebs cycle-mediated 2H-enrichment of glutamate and glutamine.

    Science.gov (United States)

    Silva, Ana Maria; Martins, Fatima; Jones, John G; Carvalho, Rui

    2011-12-01

    Deuterated water is widely used for measuring de novo lipogenesis on the basis of quantifying lipid (2)H-enrichment relative to that of body water. However, incorporation of (2)H-enrichment from body water into newly synthesized lipid molecules is incomplete therefore the true lipid precursor enrichment differs from that of body water. We describe a novel measurement of de novo lipogenesis that is based on a true precursor-product analysis of hepatic acetyl-CoA and triglyceride methyl enrichments from deuterated water. After deuterated water administration to seven in situ and seven perfused livers, acetyl-CoA methyl enrichment was inferred from (2)H nuclear magnetic resonance analysis of hepatic glutamate/glutamine (Glx) enrichment and triglyceride methyl enrichment was directly determined by (2)H nuclear magnetic resonance of triglycerides. Acetyl-CoA (2) H-enrichment was 71% ± 1% that of body water for in situ livers and 53% ± 2% of perfusate water for perfused livers. From the ratio of triglyceride-methyl/acetyl-CoA enrichments, fractional de novo lipogenesis rates of 0.97% ± 0.09%/2 hr and 7.92% ± 1.47%/48 hr were obtained for perfused and in situ liver triglycerides, respectively. Our method reveals that acetyl-CoA enrichment is significantly less than body water both for in situ and perfused livers. Furthermore, the difference between acetyl-CoA and body water enrichments is sensitive to the experimental setting.

  11. Plasma chromograninx

    DEFF Research Database (Denmark)

    Goetze, Jens P; Hilsted, Linda M; Rehfeld, Jens F

    2014-01-01

    Cardiovascular risk assessment remains difficult in elderly patients. We examined whether chromogranin A (CgA) measurement in plasma may be valuable in assessing risk of death in elderly patients with symptoms of heart failure in a primary care setting. A total of 470 patients (mean age 73 years......) were followed for 10 years. For CgA plasma measurement, we used a two-step method including a screening test and a confirmative test with plasma pre-treatment with trypsin. Cox multivariable proportional regression and receiver-operating curve (ROC) analyses were used to assess mortality risk...... of follow-up showed significant additive value of CgA confirm measurements compared with NT-proBNP and clinical variables. CgA measurement in the plasma of elderly patients with symptoms of heart failure can identify those at increased risk of short- and long-term mortality....

  12. Plasma Cleaning

    Science.gov (United States)

    Hintze, Paul E.

    2016-01-01

    NASA's Kennedy Space Center has developed two solvent-free precision cleaning techniques: plasma cleaning and supercritical carbon dioxide (SCCO2), that has equal performance, cost parity, and no environmental liability, as compared to existing solvent cleaning methods.

  13. Monte Carlo simulations of high-pressure phase equilibria of CO2-H2O mixtures.

    Science.gov (United States)

    Liu, Yang; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G

    2011-05-26

    Histogram-reweighting grand canonical Monte Carlo simulations were used to obtain the phase behavior of CO(2)-H(2)O mixtures over a broad temperature and pressure range (50 °C ≤ T ≤ 350 °C, 0 ≤ P ≤ 1000 bar). We performed a comprehensive test of several existing water (SPC, TIP4P, TIP4P2005, and exponential-6) and carbon dioxide (EPM2, TraPPE, and exponential-6) models using conventional Lorentz-Berthelot combining rules for the unlike-pair parameters. None of the models we studied reproduce adequately experimental data over the entire temperature and pressure range, but critical assessments were made on the range of T and P where particular model pairs perform better. Away from the critical region (T ≤ 250 °C), the exponential-6 model combination yields the best predictions for the CO(2)-rich phase, whereas the TraPPE/TIP4P2005 model combination provides the most accurate coexistence composition and pressure for the H(2)O-rich phase. Near the critical region (250 °C < T ≤ 350 °C), the critical points are not accurately estimated by any of the models studied, but the exponential-6 models are able to qualitatively capture the critical loci and the shape of the phase envelopes. Local improvements can be achieved at specific temperatures by introducing modification factors to the Lorentz-Berthelot combining rules, but the modified combining rule is still not able to achieve global improvements over the entire temperature and pressure range. Our work points to the challenge and importance of improving current atomistic models so as to accurately predict the phase behavior of this important binary mixture.

  14. The 2H(e, e' p)n reaction at large energy transfers

    Science.gov (United States)

    Willering, Hendrik Willem

    2003-04-01

    At the ELSA accelerator facillity in Bonn, Germany, we have measured the deutron breakup reaction 2H(e, e' p)n at four-momentum transfers around Q2 = -0 .20(GeV/c)2 with an electron beam energy of E0 = 1.6 GeV. The cross section has been determined for energy transfers extending from the quasielastic region to just below the Delta(1232)-resonance, and for proton polar angles up to Thetanp = 145 o in the center-of-momentum system. This angular range represents missing momenta up to pm = 1000 MeV/c. By detecting the scattered protons in two segmented 3 3 m2 scintillator time-of-flight detectors, we have covered a considerable part of the out-of-plane region. The clearly visible variation of the cross section with the proton azimuthal angle fnp has enabled us to extract values for the longitudinal-transverse interference form factor fLT and for a combination of the non-interference form factors fL and fT for proton angles up to Thetanp = 40o in the center-of-momentum system. The experimental results have been compared to the full model calculations by Arenhövel et al. For the major part of our kinematical range the shape of the cross section and of the form factors is reproduced by the model, but some differences remain in the normalization, especially at higher energy transfers. Our results corroborate the conclusions from other recent experiments concerning the importance of subnuclear degrees-of-freedom beyond the quasielastic region, but the discrepancy indicates that the model can still be improved

  15. Redetermination of metarossite, CaV5+2O6·2H2O

    Directory of Open Access Journals (Sweden)

    Anaïs Kobsch

    2016-09-01

    Full Text Available The crystal structure of metarossite, ideally CaV2O6·2H2O [chemical name: calcium divanadium(V hexaoxide dihydrate], was first determined using precession photographs, with fixed isotropic displacement parameters and without locating the positions of the H atoms, leading to a reliability factor R = 0.11 [Kelsey & Barnes (1960. Can. Mineral. 6, 448–466]. This communication reports a structure redetermination of this mineral on the basis of single-crystal X-ray diffraction data of a natural sample from the Blue Cap mine, San Juan County, Utah, USA (R1 = 0.036. Our study not only confirms the structural topology reported in the previous study, but also makes possible the refinement of all non-H atoms with anisotropic displacement parameters and all H atoms located. The metarossite structure is characterized by chains of edge-sharing [CaO8] polyhedra parallel to [100] that are themselves connected by chains of alternating [VO5] trigonal bipyramids parallel to [010]. The two H2O molecules are bonded to Ca. Analysis of the displacement parameters show that the [VO5] chains librate around [010]. In addition, we measured the Raman spectrum of metarossite and compared it with IR and Raman data previously reported. Moreover, heating of metarossite led to a loss of water, which results in a transformation to the brannerite-type structure, CaV2O6, implying a possible dehydration pathway for the compounds M2+V2O6·xH2O, with M = Cu, Cd, Mg or Mn, and x = 2 or 4.

  16. Laser induced rovibrational cooling of the linear polyatomic ion C2H2(+).

    Science.gov (United States)

    Deb, Nabanita; Heazlewood, Brianna R; Rennick, Christopher J; Softley, Timothy P

    2014-04-28

    The laser-induced blackbody-assisted rotational cooling of a linear polyatomic ion, C2H2(+), in its (2)Π ground electronic state in the presence of the blackbody radiation field at 300 K and 77 K is investigated theoretically using a rate-equations model. Although pure rotational transitions are forbidden in this non-polar species, the ν5 cis-bending mode is infrared active and the (1-0) band of this mode strongly overlaps the 300 K blackbody spectrum. Hence the lifetimes of state-selected rotational levels are found to be short compared to the typical timescale of ion trapping experiments. The ν5 (1-0) transition is split by the Renner-Teller coupling of vibrational and electronic angular momentum, and by the spin-orbit coupling, into six principal components and these effects are included in the calculations. In this paper, a rotational-cooling scheme is proposed that involves simultaneous pumping of a set of closely spaced Q-branch transitions on the (2)Δ5/2 - (2)Π3/2 band together with two Q-branch lines in the (2)Σ(+) - (2)Π1/2 band. It is shown that this should lead to >70% of total population in the lowest rotational level at 300 K and over 99% at 77 K. In principle, the multiple Q-branch lines could be pumped with just two broad-band (∼Δν = 0.4-3 cm(-1)) infrared lasers.

  17. Strange Kinetics of the C(2)H(6) + CN Reaction Explained.

    Science.gov (United States)

    Georgievskii, Yuri; Klippenstein, Stephen J

    2007-05-17

    In this paper, we employ state of the art quantum chemical and transition state theory methods in making a priori kinetic predictions for the abstraction reaction of CN with ethane. This reaction, which has been studied experimentally over an exceptionally broad range of temperature (25-1140 K), exhibits an unusually strong minimum in the rate constant near 200 K. The present theoretical predictions, which are based on a careful consideration of the two distinct transition state regimes, quantitatively reproduce the measured rate constant over the full range of temperature, with no adjustable parameters. At low temperatures, the rate-determining step for such radical-molecule reactions involves the formation of a weakly bound van der Waals complex. At higher temperatures, the passage over a subthreshold saddle point on the potential energy surface, related to the formation and dissolution of chemical bonds, becomes the rate-determining step. The calculations illustrate the changing importance of the two transition states with increasing temperature and also clearly demonstrate the need for including accurate treatments of both transition states. The present two transition state model is an extension of that employed in our previous work on the C2H4 + OH reaction [J. Phys. Chem. A 2005, 109, 6031]. It incorporates direct ab initio evaluations of the potential in classical phase space integral based calculations of the fully coupled anharmonic transition state partition functions for both transition states. Comparisons with more standard rigid-rotor harmonic oscillator representations for the "inner" transition state illustrate the importance of variational, anharmonic, and nonrigid effects. The effects of tunneling through the "inner" saddle point and of dynamical correlations between the two transition states are also discussed. A study of the kinetic isotope effect provides a further test for the present two transition state model.

  18. Physical activity energy expenditure is associated with 2-h insulin independently of obesity among Inuit in Greenland.

    Science.gov (United States)

    Dahl-Petersen, Inger Katrine; Bjerregaard, Peter; Brage, Søren; Jørgensen, Marit Eika

    2013-12-01

    Indigenous populations throughout the Arctic are experiencing a rapid increase in the prevalence of obesity and type 2 diabetes. The role of physical activity in relation to glucose metabolism in Arctic populations is not well studied. We examined the association between objectively measured physical activity energy expenditure (PAEE) and glucose metabolism in a population-based study of adult Inuit in Greenland. Cross-sectional data were collected by combined accelerometry and heart rate monitoring (ACC+HR) among Inuit (18+ years) in Greenland during 2005-2010 (n=1545). PAEE was calculated and the associations with fasting glucose, 2-h glucose, fasting insulin, 2-h insulin concentrations and body composition were analysed by linear regression. An inverse association between PAEE and fasting insulin, 2-h insulin, 2-h glucose, fat percentage, BMI and waist circumference (WC) was found after adjustments by age and sex. Only the association between PAEE and 2-h insulin remained significant after adjustment by WC (P=0.01), most pronounced at low levels of PAEE indicating a threshold around 35-40kJ/kg/day. No overall linear trend was found for fasting glucose and 2-h glucose. This population-based study showed that PAEE was associated with 2-h insulin independently of obesity in an inverse dose-response relation. Insufficient physical activity may contribute to impaired glucose tolerance through a pathway including alterations in obesity and fat distribution. Both obesity and low levels of PAEE may be important contributing risk factors for the increasing prevalence of type 2 diabetes mellitus among Inuit in Greenland, but additional risk factors should be examined in this indigenous population. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  19. Plasma confinement

    CERN Document Server

    Hazeltine, R D

    2003-01-01

    Detailed and authoritative, this volume examines the essential physics underlying international research in magnetic confinement fusion. It offers readable, thorough accounts of the fundamental concepts behind methods of confining plasma at or near thermonuclear conditions. Designed for a one- or two-semester graduate-level course in plasma physics, it also represents a valuable reference for professional physicists in controlled fusion and related disciplines.

  20. Theoretical study of electronic and tribological properties of h-BNC2/graphene, h-BNC2/h-BN and h-BNC2/h-BNC2 bilayers.

    Science.gov (United States)

    Ansari, Narjes; Nazari, Fariba; Illas, Francesc

    2015-05-21

    Density functional theory based methods are used to investigate the interlayer sliding energy landscape (ISEL), binding energy and interlayer spacing between h-BNC2/graphene (I), h-BNC2/h-BN (II) and h-BNC2/h-BNC2 (III) bilayer structures for three, six and fourteen different stacking patterns, respectively. Our results show that, in the studied cases, increasing the atomic variety of the ingredient monolayers leads to an ISEL corrugation increase as well. For the studied bilayers the ISEL is obtained by means of the registry index. For sufficiently large flakes of h-BNC2 on graphene sheets with the largest incommensurability and the least monolayer anisotropy, a robust superlubricity occurs regardless of the relative interlayer orientation. On the other hand, for the h-BNC2/h-BNC2 bilayer exhibiting the least incommensurability and the most monolayer anisotropy, the occurrence of robust superlubricity depends on the relative interlayer orientation.

  1. Synthesis and antifungal activity of 2H-1,4-benzoxazin-3(4H)-one derivatives.

    Science.gov (United States)

    Śmist, Małgorzata; Kwiecień, Halina; Krawczyk, Maria

    2016-01-01

    A series of 2-alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-l) was easily synthesized by two-step process involving O-alkylation of 2-nitrophenols with methyl 2-bromoalkanoates and next "green" catalytic reductive cyclization of the obtained 2-nitro ester intermediates (3a-l). Further, 6,7-dibromo (5a-c) and N-acetyl (6) derivatives were prepared by bromination and acetylation of unsubstituted 2-alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-c). The novel compounds (3a-l, 4d-l, 5a-c and 6) were fully characterized by spectroscopic methods (MS, (1)H and (13)C NMR). 2-Alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-l, 5a-c and 6) were screened for antifungal activity. Preliminary assays were performed using two methods: in vitro against seven phytopathogenic fungi-Botrytis cinerea, Phythophtora cactorum, Rhizoctonia solani, Phoma betae, Fusarium culmorum, Fusarium oxysporum and Alternaria alternata-and in vivo against barley powdery mildew Blumeria graminis. The tested compounds displayed moderate to good antifungal activity at high concentration (200 mg L(-1)). The most potent compounds were 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a), 2-ethyl-7-fluoro-2H-1,4-benzoxazin-3(4H)-one (4g) and 4-acetyl-2-ethyl-2H-1,4-benzoxazin-3(4H)-one (6), which completely inhibited the mycelial growth of seven agricultural fungi at the concentration of 200 mg L(-1) in the in vitro tests. Moreover, 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a) and 4-acetyl-2-ethyl-2H-1,4-benzoxazin-3(4H)-one (6) were also screened for antifungal activity at concentrations of 100 mg L(-1) and 20 mg L(-1). In the concentration of 100 mg L(-1), the N-acetyl derivative (6) completely inhibited the growth of three strains of fungi (F. culmorum, P. cactorum and R. solani), while 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a) completely inhibited only R. solani strain. At the concentration of 20 mg L(-1), compound 6 showed good activity only against P. cactorum strain (72%).

  2. Revisiting Mt. Kilimanjaro: Do n-alkane biomarkers in soils reflect the δ2H isotopic composition of precipitation?

    Directory of Open Access Journals (Sweden)

    M. Zech

    2014-06-01

    Full Text Available During the last decade compound-specific deuterium (δ2H analysis of plant leaf wax-derived n-alkanes has become a promising and popular tool in paleoclimate research. This is based on the widely accepted assumption that n-alkanes in soils and sediments generally reflect δ2H of precipitation (δ2Hprec. Recently, several authors suggested that δ2H of n-alkanes (δ2H,sub>n-alkanes can also be used as proxy in paleoaltimetry studies. Here we present results from a δ2H transect study (~1500 to 4000 m a.s.l. carried out on precipitation and soil samples taken from the humid southern slopes of Mt. Kilimanjaro. Contrary to earlier suggestions, a distinct altitude effect in δ2Hprec is present above ~2000 m a.s.l., i.e. δ2Hprec values become more negative with increasing altitude. The compound-specific δ2H values of nC27 and nC29 do not confirm this altitudinal trend, but rather become more positive both in the O-layers (organic layers and the Ah-horizons (mineral topsoils. Although our δ2Hn-alkane results are in agreement with previously published results from the southern slopes of Mt. Kilimanjaro (Peterse et al., 2009, BG, 6, 2799–2807, a major re-interpretation is required given that the δ2Hn-alkane results do not reflect the δ2Hprec results. The theoretical framework for this re-interpretation is based on the evaporative isotopic enrichment of leaf water associated with transpiration process. Modelling results show that relative humidity, decreasing considerably along the southern slopes of Mt. Kilimanjaro (from 78% at ~ 2000 m a.s.l. to 51% at 4000 m a.s.l., strongly controls δ2Hleaf water. The modelled δ2H leaf water enrichment along the altitudinal transect matches well the measured 2H leaf water enrichment as assessed by using the δ2Hprec and δ2Hn-alkane results and biosynthetic fractionation during n-alkane biosynthesis in leaves. Given that our results clearly demonstrate that n-alkanes in soils do not simply reflect δ2Hprec

  3. Charge density wave and superconductivity in 2H- and 4H-NbSe2: A revisit

    Indian Academy of Sciences (India)

    I Naik; A K Rastogi

    2011-06-01

    Good-quality hexagonal NbSe2 single crystals were prepared. In 2H-NbSe2, superconducting and charge density wave (CDW) transitions were found at = 7.4 K and = 35 K respectively as reported previously. We have noticed that these two transitions are changed to = 42 K and = 6.5 K, in 4H-NbSe2. Thermopower has shown clear anomaly at CDW transitions. The anisotropic upper critical field was calculated as ∼ 3 and 6.3 for 2H- and 4H-single crystals around = 0.81, where = /, from resistivity and explained in terms of coherence length. From the relation, $H_{c2}() = H_{c2}(0)[1 − ^2]$, $H^l_{c2}(0)$ was calculated as ∼ 8.15 T and 16.98 T at = 0.84 in 2H-NbSe2 and 4H-NbSe2 respectively. However, $H^_{c2}(0) = 2.68$ T for both single crystals.

  4. DNC/HNC and N2D+/N2H+ ratios in high-mass star-forming cores

    Science.gov (United States)

    Fontani, F.; Sakai, T.; Furuya, K.; Sakai, N.; Aikawa, Y.; Yamamoto, S.

    2014-05-01

    Chemical models predict that the deuterated fraction (the column density ratio between a molecule containing D and its counterpart containing H) of N2H+, Dfrac(N2H+), high in massive pre-protostellar cores, is expected to rapidly drop by an order of magnitude after the protostar birth, while that of HNC, Dfrac(HNC), remains constant for much longer. We tested these predictions by deriving Dfrac(HNC) in 22 high-mass star-forming cores divided in three different evolutionary stages, from high-mass starless core candidates (HMSCs, eight) to high-mass protostellar objects (HMPOs, seven) to ultracompact H II regions (UCHIIs, seven). For all of them, Dfrac(N2H+) was already determined through IRAM 30 m Telescope observations, which confirmed the theoretical rapid decrease of Dfrac(N2H+) after protostar birth. Therefore, our comparative study is not affected by biases introduced by the source selection. We have found average Dfrac(HNC) of 0.012, 0.009 and 0.008 in HMSCs, HMPOs and UCHIIs, respectively, with no statistically significant differences among the three evolutionary groups. These findings confirm the predictions of the chemical models, and indicate that large values of Dfrac(N2H+) are more suitable than large values of Dfrac(HNC) to identify cores on the verge of forming high-mass stars, likewise what was found in the low-mass regime.

  5. Site-resolved 2H relaxation experiments in solid materials by global line-shape analysis of MAS NMR spectra

    Science.gov (United States)

    Lindh, E. L.; Stilbs, P.; Furó, I.

    2016-07-01

    We investigate a way one can achieve good spectral resolution in 2H MAS NMR experiments. The goal is to be able to distinguish between and study sites in various deuterated materials with small chemical shift dispersion. We show that the 2H MAS NMR spectra recorded during a spin-relaxation experiment are amenable to spectral decomposition because of the different evolution of spectral components during the relaxation delay. We verify that the results are robust by global least-square fitting of the spectral series both under the assumption of specific line shapes and without such assumptions (COmponent-REsolved spectroscopy, CORE). In addition, we investigate the reliability of the developed protocol by analyzing spectra simulated with different combinations of spectral parameters. The performance is demonstrated in a model material of deuterated poly(methacrylic acid) that contains two 2H spin populations with similar chemical shifts but different quadrupole splittings. In 2H-exchanged cellulose containing two 2H spin populations with very similar chemical shifts and quadrupole splittings, the method provides new site-selective information about the molecular dynamics.

  6. Sequence specificity is obtained from the majority of modular C2H2 zinc-finger arrays.

    Science.gov (United States)

    Lam, Kathy N; van Bakel, Harm; Cote, Atina G; van der Ven, Anton; Hughes, Timothy R

    2011-06-01

    C2H2 zinc fingers (C2H2-ZFs) are the most prevalent type of vertebrate DNA-binding domain, and typically appear in tandem arrays (ZFAs), with sequential C2H2-ZFs each contacting three (or more) sequential bases. C2H2-ZFs can be assembled in a modular fashion, providing one explanation for their remarkable evolutionary success. Given a set of modules with defined three-base specificities, modular assembly also presents a way to construct artificial proteins with specific DNA-binding preferences. However, a recent survey of a large number of three-finger ZFAs engineered by modular assembly reported high failure rates (∼70%), casting doubt on the generality of modular assembly. Here, we used protein-binding microarrays to analyze 28 ZFAs that failed in the aforementioned study. Most (17) preferred specific sequences, which in all but one case resembled the intended target sequence. Like natural ZFAs, the engineered ZFAs typically yielded degenerate motifs, binding dozens to hundreds of related individual sequences. Thus, the failure of these proteins in previous assays is not due to lack of sequence-specific DNA-binding activity. Our findings underscore the relevance of individual C2H2-ZF sequence specificities within tandem arrays, and support the general ability of modular assembly to produce ZFAs with sequence-specific DNA-binding activity.

  7. Grasping hydrogen adsorption and dynamics in metal-organic frameworks using (2)H solid-state NMR.

    Science.gov (United States)

    Lucier, Bryan E G; Zhang, Yue; Lee, Kelly J; Lu, Yuanjun; Huang, Yining

    2016-06-18

    Record greenhouse gas emissions have spurred the search for clean energy sources such as hydrogen (H2) fuel cells. Metal-organic frameworks (MOFs) are promising H2 adsorption and storage media, but knowledge of H2 dynamics and adsorption strengths in these materials is lacking. Variable-temperature (VT) (2)H solid-state NMR (SSNMR) experiments targeting (2)H2 gas (i.e., D2) shed light on D2 adsorption and dynamics within six representative MOFs: UiO-66, M-MOF-74 (M = Zn, Mg, Ni), and α-M3(COOH)6 (M = Mg, Zn). D2 binding is relatively strong in Mg-MOF-74, Ni-MOF-74, α-Mg3(COOH)6, and α-Zn3(COOH)6, giving rise to broad (2)H SSNMR powder patterns. In contrast, D2 adsorption is weaker in UiO-66 and Zn-MOF-74, as evidenced by the narrow (2)H resonances that correspond to rapid reorientation of the D2 molecules. Employing (2)H SSNMR experiments in this fashion holds great promise for the correlation of MOF structural features and functional groups/metal centers to H2 dynamics and host-guest interactions.

  8. Combined experimental and computational study on the energetics of 1,2-benzisothiazol-3(2H)-one and 1,4-benzothiazin-3(2H, 4H)-one

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, Margarida S., E-mail: msmirand@fc.up.p [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Centro de Geologia da Universidade do Porto, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Matos, M. Agostinha R., E-mail: marmatos@fc.up.p [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Morais, Victor M.F., E-mail: vmmorais@icbas.up.p [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Instituto de Ciencias Biomedicas Abel Salazar, ICBAS, Universidade do Porto, P-4099-003 Porto (Portugal); Liebman, Joel F., E-mail: jliebman@umbc.ed [Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD 21250 (United States)

    2011-05-15

    Research highlights: The standard molar enthalpies of formation and sublimation of 1,2-benzisothiazol-3(2H)-one and 1,4-benzothiazin-3(2H, 4H)-one were determined. Computational calculations predict that keto tautomers are more stable than the enol ones. G3(MP2)//B3LYP calculations allowed estimation of the standard enthalpies of formation. The aromaticity of both compounds was evaluated by analysis of NICS values. - Abstract: The present work reports an experimental and computational study of the energetics of 1,2-benzisothiazol-3(2H)-one and 1,4-benzothiazin-3(2H, 4H)-one. The standard (p{sup o} = 0.1 MPa) massic energy of combustion, at T = 298.15 K, of each compound was measured by rotating bomb combustion calorimetry, in oxygen that allowed the calculation of the respective standard molar enthalpy of formation, in the condensed phase, at T = 298.15 K. The standard molar enthalpies of sublimation, at T = 298.15 K, were measured by high-temperature Calvet microcalorimetry. From the combination of data obtained by both techniques we have calculated the standard molar enthalpies of formation, in the gaseous phase, at T = 298.15 K. In addition, computational calculations were carried using the density functional theory with the B3LYP functional and the 6-31G* basis set and some correlations between structure and energetics were obtained for the keto and enol forms of both compounds. Using the G3(MP2)//B3LYP composite method and various appropriate reactions, the standard molar enthalpies of formation of 1,2-benzisothiazol-3(2H)-one and 1,4-benzothiazin-3(2H, 4H)-one, at T = 298.15 K, were computationally derived and compared with the experimental data. The aromaticity of 1,2-benzisothiazol-3(2H)-one, 1,4-benzothiazin-3(2H, 4H)-one and that of some related species was evaluated by analysis of nucleus independent chemical shifts (NICS).

  9. Antibacterial agent triclosan suppresses RBL-2H3 mast cell function

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, Rachel K., E-mail: rachel.palmer@maine.edu [Graduate School of Biomedical Sciences, University of Maine, Orono, ME 04469 (United States); Department of Molecular and Biomedical Sciences, University of Maine, Orono, ME 04469 (United States); Hutchinson, Lee M.; Burpee, Benjamin T.; Tupper, Emily J.; Pelletier, Jonathan H.; Kormendy, Zsolt; Hopke, Alex R.; Malay, Ethan T.; Evans, Brieana L.; Velez, Alejandro [Department of Molecular and Biomedical Sciences, University of Maine, Orono, ME 04469 (United States); Gosse, Julie A., E-mail: julie.gosse@umit.maine.edu [Graduate School of Biomedical Sciences, University of Maine, Orono, ME 04469 (United States); Department of Molecular and Biomedical Sciences, University of Maine, Orono, ME 04469 (United States)

    2012-01-01

    Triclosan is a broad-spectrum antibacterial agent, which has been shown previously to alleviate human allergic skin disease. The purpose of this study was to investigate the hypothesis that the mechanism of this action of triclosan is, in part, due to effects on mast cell function. Mast cells play important roles in allergy, asthma, parasite defense, and carcinogenesis. In response to various stimuli, mast cells degranulate, releasing allergic mediators such as histamine. In order to investigate the potential anti-inflammatory effect of triclosan on mast cells, we monitored the level of degranulation in a mast cell model, rat basophilic leukemia cells, clone 2H3. Having functional homology to human mast cells, as well as a very well defined signaling pathway leading to degranulation, this cell line has been widely used to gain insight into mast-cell driven allergic disorders in humans. Using a fluorescent microplate assay, we determined that triclosan strongly dampened the release of granules from activated rat mast cells starting at 2 μM treatment, with dose-responsive suppression through 30 μM. These concentrations were found to be non-cytotoxic. The inhibition was found to persist when early signaling events (such as IgE receptor aggregation and tyrosine phosphorylation) were bypassed by using calcium ionophore stimulation, indicating that the target for triclosan in this pathway is likely downstream of the calcium signaling event. Triclosan also strongly suppressed F-actin remodeling and cell membrane ruffling, a physiological process that accompanies degranulation. Our finding that triclosan inhibits mast cell function may explain the clinical data mentioned above and supports the use of triclosan or a mechanistically similar compound as a topical treatment for allergic skin disease, such as eczema. -- Highlights: ►The effects of triclosan on mast cell function using a murine mast cell model. ►Triclosan strongly inhibits degranulation of mast cells.

  10. New estimates of global CH4 and C2H6 production in the Precambrian crust

    Science.gov (United States)

    Sutcliffe, Chelsea N.; Lacrampe-Couloume, Georges; Ballentine, Chris J.; Sherwood Lollar, Barbara

    2015-04-01

    Saline fracture fluids found deep within the Precambrian shield possess isotopic and geochemical signatures consistent with prolonged water rock interaction. Noble gas-derived residence times of these fluids, on the order of millions to billions of years, highlight their significance as an ancient deep hydrosphere (Lippmann-Pipke et al., 2011; Holland et al., 2013). With mM concentrations of dissolved gases such as H2 and hydrocarbons, these fracture fluids are energy rich and capable of sustaining microbial communities of H2-utilizing methanogens and sulphate reducers (Lin et al., 2006). Globally, Precambrian rocks constitute over 70% of the volume of the continental crust (Goodwin, 1996) and represent a substantial under-investigated source of such dissolved gases. Recent calculations of global H2 production from these Precambrian Shield rocks, including both hydration reactions and radiolysis, doubles previous estimates to an increased rate of 0.4-2.3 x 1011 mol/yr (Sherwood Lollar et al., 2014). This has important consequences for hydrocarbon production, reflected in the high abundance of CH4 and C2H6 in dissolved fracture gases, up to 80 and 10 vol %, respectively. Given the long residence times of these fluids, hydrocarbon production could have persisted on geological timescales. To date, production from this source has not been incorporated into models of evolution of the early atmosphere. Additionally, the quantification of abiotic sources of methane and ethane in the analogous terrestrial Precambrian crust could contribute to our understanding of the origin of the episodic traces of methane recently detected on Mars (Webster et al., 2014). Investigating the origin of these gases has important implications for the global carbon cycle, as well as the distribution of life in the terrestrial deep subsurface and on other planets. We examine the isotopic evolution of these fracture fluids in the Canadian Shield and provide the first attempts to estimate methane

  11. A Preliminary Study of the Plasma Pyrolysis of Waste Tyres

    Institute of Scientific and Technical Information of China (English)

    唐兰; 黄海涛; 赵增立; 吴创之

    2003-01-01

    Thermal plasma pyrolysis of waste tyres for recovering energy was performed in a nitrogen plasma reactor. The main gaseous products were identified by chromatography as H2, CO, CH4, C2H2 and so on. From a series of experiments, the effects of the process parameters of thermal plasma pyrolysis were investigated. Under our experimental conditions with steam injection, the total contents of H2 and CO reached up to 38.3% in the gas product, C2H2 up to 4%, and the maximum calorific value of the pyrolysis gas was 8.96 MJ/m3. The results indicate that plasma-assisted thermal decomposition of waste tyre particles may be a useful way for recovering energy and useful chemicals.

  12. Propensities toward C{sub 2}H({ital {tilde A}} {sup 2}{Pi}) in acetylene photodissociation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, J.; Riehn, C.W.; Dulligan, M.; Wittig, C. [Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482 (United States)

    1995-10-15

    When expansion-cooled acetylene is excited to the {nu}{sup {double_prime}}{sub 1}+3{nu}{sup {double_prime}}{sub 3} vibrational level (4 quanta of CH-stretch) and then photodissociated at 248.3 nm, the dominant product channel is C{sub 2}H({ital {tilde A}} {sup 2}{Pi}). This differs markedly from one-photon 193.3 nm photodissociation, which provides 1200 cm{sup {minus}1} less energy and yields C{sub 2}H({ital {tilde X}} {sup 2}{Sigma}{sup +}) as the primary product. Photodissociation at 121.6 nm yields C{sub 2}H({ital {tilde A}} {sup 2}{Pi}) exclusively. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  13. Microwave-assisted synthesis of novel 2H-chromene derivatives bearing phenylthiazolidinones and their biological activity assessment.

    Science.gov (United States)

    El Azab, Islam H; Youssef, Mohamed M; Amin, Mahmoud A

    2014-11-26

    6-Hydroxy-2-oxo-2H-chromene-4-carbaldehyde (2), 6-chloro-2-oxo-2H-chromene-4-carbaldehyde (3) and 6-hydrazinyl-4-methyl-2H-chromen-2-one (5) were prepared as single-pharmacophore motif key intermediates. Compounds 2, 3 and 5 were incorporated in a series of multicomponent reactions (MCRs), under microwave assistance as well as conventional chemical synthesis processes, to afford a series of three and/or four-pharmacophoric-motif conjugates 8a,b, 11, 13, 16, 17, 19 and 20 in good yields. The newly synthesized compounds were characterized by IR, NMR, 13C-NMR, MS and elemental analyses. Finally the synthesized compounds have been screened for their biological activity whereupon they exhibited remarkable antimicrobial activity on different classes of bacteria and the fungus.

  14. Electronic structure, chemical bond and thermal stability of hydrogen absorber Li2MgN2H2

    Institute of Scientific and Technical Information of China (English)

    WANG Qiang; CHEN YunGui; WU ChaoLing; TAO MingDa; GAI JingGang

    2009-01-01

    The lowest total energy crystal structure of Li2MgN2H2 was identified by the first principle calculation with RPBE exchange-correlation function. Furthermore, the fine structure parameters of this crystal structure were calculated with PBE and PW91 exchange-correlation function. In a further step, the density of states, electron density, charge density difference on (0 0 1) plane and heat of formation of Li2MgN2H2 hydrogenation were computed with PW91 exchange-correlation function. Consequently, the electronic structures and chemical bonds in this compound were analyzed and discussed, and then the thermodynamic character of Li2MgN2H2 for hydrogen storage was evacuated.

  15. Osmium(IV) complexes with 1H- and 2H-indazoles: tautomer identity versus spectroscopic properties and antiproliferative activity.

    Science.gov (United States)

    Büchel, Gabriel E; Stepanenko, Iryna N; Hejl, Michaela; Jakupec, Michael A; Keppler, Bernhard K; Heffeter, Petra; Berger, Walter; Arion, Vladimir B

    2012-08-01

    A one-pot synthesis of osmium(IV) complexes with two different tautomers of indazole, 1H-indazole and 2H-indazole, namely (H(2)ind)[Os(IV)Cl(5)(2H-ind)] (1) and (H(2)ind)[Os(IV)Cl(5)(1H-ind)] (2) is reported. Both compounds have been comprehensively characterized by NMR spectroscopy, ESI (electrospray ionization) mass spectrometry, electronic absorption spectroscopy, IR spectroscopy, cyclic voltammetry and tested for antiproliferative activity in vitro in three human cancer cell lines, CH1 (ovarian carcinoma), A549 (non-small cell lung cancer) and SW480 (colon carcinoma), as well as in vivo in a Hep3B SCID mouse xeno-transplantation model. 2H-Indazole tautomer stabilization in 1 has been confirmed by X-ray diffraction.

  16. Gold-catalyzed synthesis of functionalized pyridines by using 2H-azirines as synthetic equivalents of alkenyl nitrenes.

    Science.gov (United States)

    Prechter, Agnes; Henrion, Guilhem; Faudot dit Bel, Pierre; Gagosz, Fabien

    2014-05-05

    2H-Azirines are easily synthesized from the corresponding ketones and, despite possessing a CN bond embedded in a strained three-membered cycle, they are sufficiently stable to be isolated, stored, and manipulated. 2H-Azirines can be regarded as valuable synthetic equivalents of alkenyl nitrenes, however, reactions capitalizing on the cyclic strain of the heterocyclic motif and involving the cleavage of the CN single bond remain surprisingly limited. A gold-catalyzed reaction that allows the formation of polysubstituted functionalized pyridines from easily accessible 2-propargyl 2H-azirine derivatives was developed. This transformation, which corresponds to an unprecedented intramolecular transfer of an alkenyl nitrene to an alkyne, proceeds with low catalyst loading, is efficient, and exhibits a high functional-group tolerance and a wide substrate scope. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Detection of NO sub x,C2H4 concentrations by using CO and CO2 lasers

    Science.gov (United States)

    Gengchen, W.; Qinxin, K.

    1986-01-01

    A laser, especially the infrared line tunable laser, opens up a new way to monitor the atmospheric environment, and already has gotten effective practical application. One of the most serious problems in open path remote measurement at atmospheric pressure is the broadening effect which leads to increased linewidths, spectral interferences, and, as a result, tends to reduce detection sensitivity, so measuring laser wavelengths should be selected carefully, and interaction between the measuring wavelength and gas to be measured must be known very well. Therefore, N2O, No, NO2, CH4, NH3 and C2H4 absorption properties at some lines of CO and CO2 line tunable lasers were studied. The absorption coefficients of NO, NO2, and C2H4; some results on detection of NO sub x, C2H4 concentrations in both laboratory and field; and selection of measuring wavelengths and error analysis are discussed.

  18. BROAD N{sub 2}H{sup +} EMISSION TOWARD THE PROTOSTELLAR SHOCK L1157-B1

    Energy Technology Data Exchange (ETDEWEB)

    Codella, C.; Fontani, F.; Gómez-Ruiz, A.; Vasta, M. [INAF, Osservatorio Astrofisico di Arcetri, Largo Enrico Fermi 5, I-50125 Firenze (Italy); Viti, S. [Department of Physics and Astronomy, University College London, London (United Kingdom); Ceccarelli, C.; Lefloch, B.; Podio, L. [UJF-Grenoble 1/CNRS-INSU, Institut de Planétologie et d' Astrophysique de Grenoble (IPAG) UMR 5274, Grenoble, F-38041 (France); Benedettini, M.; Busquet, G. [INAF, Istituto di Astrofisica e Planetologia Spaziali, via Fosso del Cavaliere 100, 00133 Roma (Italy); Caselli, P., E-mail: codella@rcetri.astro.it [School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2013-10-10

    We present the first detection of N{sub 2}H{sup +} toward a low-mass protostellar outflow, namely, the L1157-B1 shock, at ∼0.1 pc from the protostellar cocoon. The detection was obtained with the IRAM 30 m antenna. We observed emission at 93 GHz due to the J = 1-0 hyperfine lines. Analysis of this emission coupled with HIFI CHESS multiline CO observations leads to the conclusion that the observed N{sub 2}H{sup +}(1-0) line originated from the dense (≥10{sup 5} cm{sup –3}) gas associated with the large (20''-25'') cavities opened by the protostellar wind. We find an N{sub 2}H{sup +} column density of a few 10{sup 12} cm{sup –2} corresponding to an abundance of (2-8) × 10{sup –9}. The N{sub 2}H{sup +} abundance can be matched by a model of quiescent gas evolved for more than 10{sup 4} yr, i.e., for more than the shock kinematical age (≅2000 yr). Modeling of C-shocks confirms that the abundance of N{sub 2}H{sup +} is not increased by the passage of the shock. In summary, N{sub 2}H{sup +} is a fossil record of the pre-shock gas, formed when the density of the gas was around 10{sup 4} cm{sup –3}, and then further compressed and accelerated by the shock.

  19. plasma treatment

    Directory of Open Access Journals (Sweden)

    Puač Nevena

    2014-11-01

    Full Text Available In this paper we will present results for plasma sterilization of planktonic samples of two reference strains of bacteria, Pseudomonas aeruginosa ATCC 27853 and Enterococcus faecalis ATCC 29212. We have used a plasma needle as a source of non-equilibrium atmospheric plasma in all treatments. This device is already well characterized by OES, derivative probes and mass spectrometry. It was shown that power delivered to the plasma is bellow 2 W and that it produces the main radical oxygen and nitrogen species believed to be responsible for the sterilization process. Here we will only present results obtained by electron paramagnetic resonance which was used to detect the OH, H and NO species. Treatment time and power delivered to the plasma were found to have the strongest influence on sterilization. In all cases we have observed a reduction of several orders of magnitude in the concentration of bacteria and for the longest treatment time complete eradication. A more efficient sterilization was achieved in the case of gram negative bacteria.

  20. Plasma metallization

    CERN Document Server

    Crowther, J M

    1997-01-01

    Many methods are currently used for the production of thin metal films. However, all of these have drawbacks associated with them, for example the need for UHV conditions, high temperatures, exotic metal precursors, or the inability to coat complex shaped objects. Reduction of supported metal salts by non-isothermal plasma treatment does not suffer from these drawbacks. In order to produce and analyse metal films before they become contaminated, a plasma chamber which could be attached directly to a UHV chamber with XPS capability was designed and built. This allowed plasma treatment of supported metal salts and surface analysis by XPS to be performed without exposure of the metal film to the atmosphere. Non-equilibrium plasma treatment of Nylon 66 supported gold(lll) chloride using hydrogen as the feed gas resulted in a 95% pure gold film, the remaining 5% of the film being carbon. If argon or helium were used as the feed gases during plasma treatment the resultant gold films were 100% pure. Some degree of s...

  1. Optical properties of 1T and 2H phases of TaS2 and TaSe2

    Indian Academy of Sciences (India)

    Sangeeta Sharma; S Auluck; M A Khan

    2000-03-01

    We have calculated the anisotropic frequency dependent dielectric function for the 1T and 2H phases of TaS2 and TaSe2 using the linear muffin tin orbital method within the atomic sphere approximation. We find significant anisotropy in the frequency dependent dielectric function for the 1T and 2H phases at low energies (less than 4 eV). Unfortunately there are no experimental data to compare with. The averaged dielectric function agrees with the available experimental data except that the calculated peak heights are underestimated and shifted to higher energies by 1–2 eV.

  2. ARP: Automatic rapid processing for the generation of problem dependent SAS2H/ORIGEN-s cross section libraries

    Energy Technology Data Exchange (ETDEWEB)

    Leal, L.C.; Hermann, O.W.; Bowman, S.M.; Parks, C.V.

    1998-04-01

    In this report, a methodology is described which serves as an alternative to the SAS2H path of the SCALE system to generate cross sections for point-depletion calculations with the ORIGEN-S code. ARP, Automatic Rapid Processing, is an algorithm that allows the generation of cross-section libraries suitable to the ORIGEN-S code by interpolation over pregenerated SAS2H libraries. The interpolations are carried out on the following variables: burnup, enrichment, and water density. The adequacy of the methodology is evaluated by comparing measured and computed spent fuel isotopic compositions for PWR and BWR systems.

  3. Regioselective synthesis of 2H-indazoles using a mild, one-pot condensation-Cadogan reductive cyclization.

    Science.gov (United States)

    Genung, Nathan E; Wei, Liuqing; Aspnes, Gary E

    2014-06-06

    An operationally simple and efficient one-pot synthesis of 2H-indazoles from commercially available reagents is reported. Ortho-imino-nitrobenzene substrates, generated via condensation, undergo reductive cyclization promoted by tri-n-butylphosophine to afford substituted 2H-indazoles under mild reaction conditions. A variety of electronically diverse ortho-nitrobenzaldehydes and anilines were examined. To further extend the scope of the transformation, aliphatic amines were also employed to form N2-alkyl indazoles selectively under the optimized reaction conditions.

  4. A tandem Mannich addition–palladium catalyzed ring-closing route toward 4-substituted-3(2H-furanones

    Directory of Open Access Journals (Sweden)

    Jubi John

    2014-06-01

    Full Text Available A facile route towards highly functionalized 3(2H-furanones via a sequential Mannich addition–palladium catalyzed ring closing has been elaborated. The reaction of 4-chloroacetoacetate esters with imines derived from aliphatic and aromatic aldehydes under palladium catalysis afforded 4-substituted furanones in good to excellent yields. 4-Hydrazino-3(2H-furanones could also be synthesized from diazo esters in excellent yields by utilising the developed strategy. We could also efficiently transform the substituted furanones to aza-prostaglandin analogues.

  5. ANALYTICAL FORMULAE OF MOLECULAR ION ABUNDANCES AND THE N{sub 2}H{sup +} RING IN PROTOPLANETARY DISKS

    Energy Technology Data Exchange (ETDEWEB)

    Aikawa, Yuri [Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennoudai, Tsukuba 305-8577 (Japan); Furuya, Kenji [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands); Nomura, Hideko [Department of Earth and Planetary Science, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, 152-8551 Tokyo (Japan); Qi, Chunhua, E-mail: aikawa@ccs.tsukuba.ac.jp [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States)

    2015-07-10

    We investigate the chemistry of ion molecules in protoplanetary disks, motivated by the detection of the N{sub 2}H{sup +} ring around TW Hya. While the ring inner radius coincides with the CO snow line, it is not apparent why N{sub 2}H{sup +} is abundant outside the CO snow line in spite of the similar sublimation temperatures of CO and N{sub 2}. Using the full gas-grain network model, we reproduced the N{sub 2}H{sup +} ring in a disk model with millimeter grains. The chemical conversion of CO and N{sub 2} to less volatile species (sink effect hereinafter) is found to affect the N{sub 2}H{sup +} distribution. Since the efficiency of the sink depends on various parameters such as activation barriers of grain-surface reactions, which are not well constrained, we also constructed the no-sink model; the total (gas and ice) CO and N{sub 2} abundances are set constant, and their gaseous abundances are given by the balance between adsorption and desorption. Abundances of molecular ions in the no-sink model are calculated by analytical formulae, which are derived by analyzing the full-network model. The N{sub 2}H{sup +} ring is reproduced by the no-sink model, as well. The 2D (R-Z) distribution of N{sub 2}H{sup +}, however, is different among the full-network model and no-sink model. The column density of N{sub 2}H{sup +} in the no-sink model depends sensitively on the desorption rate of CO and N{sub 2} and the cosmic-ray flux. We also found that N{sub 2}H{sup +} abundance can peak at the temperature slightly below the CO sublimation, even if the desorption energies of CO and N{sub 2} are the same.

  6. Reactivity impact of 2H and 16O elastic scattering nuclear data on critical systems with heavy water

    OpenAIRE

    Roubtsov, D.; KOZIER K.; Chow, J. C.; Plompen, Arjan; Kopecky, Stefan; Svenne, J. P.; Canton, L.

    2013-01-01

    The accuracy of deuterium nuclear data is important for reactor physics simulations of heavy water (D2O) reactors. The elastic neutron scattering cross section data at thermal energies, σs, th, have been observed to have noticeable impact on the reactivity values in simulations of critical systems involving D2O. We discuss how the uncertainties in the thermal scattering cross sections of 2H(n,n)2H and 16O(n,n)16O propagate to the uncertainty of the calculated neutron multiplication factor, ke...

  7. Synthesis and Biological Evaluation of Novel Aryl-2H-pyrazole Derivatives as Potent Non-purine Xanthine Oxidase Inhibitors.

    Science.gov (United States)

    Sun, Zhi-Gang; Zhou, Xiao-Jing; Zhu, Ming-Li; Ding, Wen-Ze; Li, Zhen; Zhu, Hai-Liang

    2015-01-01

    A series of aryl-2H-pyrazole derivatives were synthesized and evaluated for inhibitory activity against xanthine oxidase in vitro as potent xanthine oxidase inhibitors. Among them, 2 aryl-2H-pyrazole derivatives showed significant inhibitory activities against xanthine oxidase. Compound 19 emerged as the most potent xanthine oxidase inhibitor (IC50=9.8 µM) in comparison with allopurinol (IC50=9.5 µM). The docking study revealed that compound 19 might have strong interactions with the active site of xanthine oxidase. This compound is thus a new candidate for further development for the treatment of gout.

  8. Azirinium ylides from α-diazoketones and 2H-azirines on the route to 2H-1,4-oxazines: three-membered ring opening vs 1,5-cyclization

    Directory of Open Access Journals (Sweden)

    Nikolai V. Rostovskii

    2015-03-01

    Full Text Available Strained azirinium ylides derived from 2H-azirines and α-diazoketones under Rh(II-catalysis can undergo either irreversible ring opening across the N–C2 bond to 2-azabuta-1,3-dienes that further cyclize to 2H-1,4-oxazines or reversibly undergo a 1,5-cyclization to dihydroazireno[2,1-b]oxazoles. Dihydroazireno[2,1-b]oxazoles derived from 3-aryl-2H-azirines and 3-diazoacetylacetone or ethyl diazoacetoacetate are able to cycloadd to acetyl(methylketene generated from 3-diazoacetylacetone under Rh(II catalysis to give 4,6-dioxa-1-azabicyclo[3.2.1]oct-2-ene and/or 5,7-dioxa-1-azabicyclo[4.3.1]deca-3,8-diene-2-one derivatives. According to DFT calculations (B3LYP/6-31+G(d,p, the cycloaddition can involve two modes of nucleophilic attack of the dihydroazireno[2,1-b]oxazole intermediate on acetyl(methylketene followed by aziridine ring opening into atropoisomeric oxazolium betaines and cyclization. Azirinium ylides generated from 2,3-di- and 2,2,3-triaryl-substituted azirines give rise to only 2-azabuta-1,3-dienes and/or 2H-1,4-oxazines.

  9. High-Resolution Stimulated Raman Spectroscopy and Analysis of ν_2 and ν_3 Bands of of 13C_2H_4 Using the D2h Top Data System

    Science.gov (United States)

    Alkadrou, Abdulsamee; Rotger, Maud; Bermejo, Dionisio; Domenech, Jose Luis; Boudon, Vincent

    2016-06-01

    High resolution stimulated Raman spectra of 13C_2H_4 in the regions of the ν_2 and ν_3 Raman active modes have been recorded at at two temperatures (145 and 296 K) based on the quasi continuous-wave (cw) stimulated Raman spectrometer at Instituto de Estructura de la Materia (CSIC) in Madrid. A tensorial formalism adapted to X2Y4 planar asymmetric tops with D2h symmetry has been developed in Dijon and a program suite called D2hTDS (now part of the XTDS/SPVIEW spectroscopic software was proposed to calculate their high-resolution spectra. The effective Hamiltonian operator, involving a polyad structure, and transition moment (dipole moment and polarizability) operators can be systematically expanded to carry out global analyses of many rovibrational bands. A total of 103 and 51 lines corresponding to ν_2 and ν_3 Raman active modes have been assigned and fitted in frequency with a global root mean square deviation of 0.54 × 10-3 cm-1 and 0.36 × 10-3 cm-1, respectively. The figures below shows the stimulated Raman spectrum of the ν_2 and ν_3 bands of 13C_2H_4, compared to the simulation at 296 K. Raballand W, Rotger M, Boudon V, Loëte M. J Mol Spectrosc 2003;217:239-48. Wenger Ch, Boudon V, Rotger M, Champion JP, Sanzharov M. J Mol Spectrosc 2008;251:102-13.

  10. Plasma dynamo

    CERN Document Server

    Rincon, F; Schekochihin, A A; Valentini, F

    2015-01-01

    Magnetic fields pervade the entire Universe and, through their dynamical interactions with matter, affect the formation and evolution of astrophysical systems from cosmological to planetary scales. How primordial cosmological seed fields arose and were further amplified to $\\mu$Gauss levels reported in nearby galaxy clusters, near equipartition with kinetic energy of plasma motions and on scales of at least tens of kiloparsecs, is a major theoretical puzzle still largely unconstrained by observations. Extragalactic plasmas are weakly collisional (as opposed to collisional magnetohydrodynamic fluids), and whether magnetic-field growth and its sustainment through an efficient dynamo instability driven by chaotic motions is possible in such plasmas is not known. Fully kinetic numerical simulations of the Vlasov equation in a six-dimensional phase space necessary to answer this question have until recently remained beyond computational capabilities. Here, we show by means of such simulations that magnetic-field a...

  11. The ^2H(e,e'p)n Reaction at High Four-Momentum Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Hassan Ibrahim

    2006-12-31

    completed in June 2002 and the high Q^2 kinematics were completed in November 2002. Before the start of the experiment many preparations were made to assure the quality of the collected data. Approximately two Terabytes of data were collected by the end of the experiment. The cross section results in this dissertation show clearly the effect of final state interactions between the two final state nucleons. The cross section ratio to the Laget PWBA+FSI calculation has a wiggle at P_miss ~ 300 MeV. It is yet to be seen whether this is merely due to the lack of MEC and IC in the present theoretical calculation. However, a similar feature was observed in a previous Hall A experiment. Further, discrepancies at very low P_miss cast some doubt on neutron form factor measurements using the deuteron as target. This study will add to the already growing body of systematic data for the ^2H(e,e'p)n reaction to better understand the N N short range and to provide vital input for heavier nuclei.

  12. Plasma medicine

    CERN Document Server

    Fridman, Alexander

    2012-01-01

    This comprehensive text is suitable for researchers and graduate students of a 'hot' new topic in medical physics. Written by the world's leading experts,  this book aims to present recent developments in plasma medicine, both technological and scientific, reviewed in a fashion accessible to the highly interdisciplinary audience consisting of doctors, physicists, biologists, chemists and other scientists, university students and professors, engineers and medical practitioners. The book focuses on major topics and covers the physics required to develop novel plasma discharges relevant for medic

  13. Apa2H1, the first head domain of Apa2 trimeric autotransporter adhesin, activates mouse bone marrow-derived dendritic cells and immunization with Apa2H1 protects against Actinobacillus pleuropneumoniae infection.

    Science.gov (United States)

    Qin, Wanhai; Wang, Lei; Zhai, Ruidong; Ma, Qiuyue; Liu, Jianfang; Bao, Chuntong; Sun, Diangang; Zhang, Hu; Sun, Changjiang; Feng, Xin; Gu, Jingmin; Du, Chongtao; Han, Wenyu; Langford, P R; Lei, Liancheng

    2017-01-01

    Actinobacillus pleuropneumoniae is the causative pathogen of porcine pleuropneumonia, which results in large economic losses in the pig industry worldwide. There are, however, no effective subunit vaccines are available in the market owing to the various serotypes and the absence of cross-protection against this pathogen. Therefore, the selection of protective components is of great significance for vaccine development. We previously showed that trimeric autotransporter adhesins are important virulence factors of A. pleuropneumoniae. To determine the potential role in vaccine development of the functional head domain (Apa2H1) of Apa2, a trimeric autotransporter adhesin found in A. pleuropneumoniae, we obtained nature-like trimeric Apa2H1 using a prokaryotic expression system and co-culture of Apa2H1 with bone marrow derived dendritic cells (BMDCs) in vitro resulted in maturation of BMDCs, characterised by the up-regulation of CD83, MHC-II, CCR7, ICAM-I and the increased expression of factors related to B lymphoid cells stimulation, such as proliferation-inducing ligand (APRIL), B lymphocyte stimulator (BLyS) and B cell activating factor (BAFF). The in vivo results showed that vaccination with Apa2H1 resulted in the robust production of antigen-specific antibodies, modestly induced mixed Th1 and Th2 immunity, impaired bacterial colonization and dissemination, and improved mouse survival rates. This study is the first to show that Apa2H1 is antigenic and can be used as a component of a subunit vaccine against A. pleuropneumoniae infection, providing valuable reference material for the development of an effective vaccine against A. pleuropneumoniae. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Hard graphitelike hydrogenated amorphous carbon grown at high rates by a remote plasma

    DEFF Research Database (Denmark)

    Singh, Shailendra Vikram; Zaharia, T.; Creatore, M.

    2010-01-01

    Hydrogenated amorphous carbon (a-C:H) deposited from an Ar-C 2H2 expanding thermal plasma chemical vapor deposition (ETP-CVD) is reported. The downstream plasma region of an ETP is characterized by a low electron temperature (∼0.3 eV), which leads to an ion driven chemistry and negligible physical...

  15. Spectroscopic studies of microwave plasmas containing hexamethyldisiloxane

    Science.gov (United States)

    Nave, A. S. C.; Mitschker, F.; Awakowicz, P.; Röpcke, J.

    2016-10-01

    Low-pressure microwave discharges containing hexamethyldisiloxane (HMDSO) with admixtures of oxygen and nitrogen, used for the deposition of silicon containing films, have been studied spectroscopically. Optical emission spectroscopy (OES) in the visible spectral range has been combined with infrared laser absorption spectroscopy (IRLAS). The experiments were carried out in order to analyze the dependence of plasma chemical phenomena on power and gas mixture at relatively low pressures, up to 50 Pa, and power values, up to 2 kW. The evolution of the concentration of the methyl radical, CH3, and of seven stable molecules, HMDSO, CH4, C2H2, C2H4, C2H6, CO and CO2, was monitored in the plasma processes by in situ IRLAS using tunable lead salt diode lasers (TDL) and external-cavity quantum cascade lasers (EC-QCL) as radiation sources. To achieve reliable values for the gas temperature inside and outside the plasma bulk as well as for the temperature in the plasma hot and colder zones, which are of great importance for calculation of species concentrations, three different methods based on emission and absorption spectroscopy data of N2, CH3 and CO have been used. In this approach line profile analysis has been combined with spectral simulation methods. The concentrations of the various species, which were found to be in the range between 1011 to 1015 cm-3, are in the focus of interest. The influence of the discharge parameters power, pressure and gas mixture on the molecular concentrations has been studied. To achieve further insight into general plasma chemical aspects the dissociation of the HMDSO precursor gas including its fragmentation and conversion to the reaction products was analyzed in detail.

  16. Plasma physics and engineering

    CERN Document Server

    Fridman, Alexander

    2011-01-01

    Part I: Fundamentals of Plasma Physics and Plasma ChemistryPlasma in Nature, in the Laboratory, and in IndustryOccurrence of Plasma: Natural and Man MadeGas DischargesPlasma Applications, Plasmas in IndustryPlasma Applications for Environmental ControlPlasma Applications in Energy ConversionPlasma Application for Material ProcessingBreakthrough Plasma Applications in Modern TechnologyElementary Processes of Charged Species in PlasmaElementary Charged Particles in Plasma and Their Elastic and Inelastic CollisionsIonization ProcessesMechanisms of Electron Losses: The Electron-Ion RecombinationEl

  17. Superstaar Ott Lepland tõi Pärnu miksimeistrile B2H-le võidu / Andris Tammela

    Index Scriptorium Estoniae

    Tammela, Andris

    2009-01-01

    Pärnu hiphopartistist B2H-st ehk Andres Selgojast, kes võitis Power Hit Radio korraldatud võistluse, milles tuli remiksida TV3 show' "Eesti otsib superstaari" finalistide lugusid. Võidu tõi remiks värske superstaari Ott Leplandi esitatud Snoop Dogi loost "Who I Am (Whats My Name)"

  18. 21 CFR 176.230 - 3,5-Dimethyl-1,3,5,2H-tetrahydrothiadiazine-2-thione.

    Science.gov (United States)

    2010-04-01

    ... or technical effect in the food itself. (c) The use of a preservative in any substance or article... 21 Food and Drugs 3 2010-04-01 2009-04-01 true 3,5-Dimethyl-1,3,5,2H-tetrahydrothiadiazine-2-thione. 176.230 Section 176.230 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH...

  19. Acylated 2-(N-arylaminomethylenebenzo[b]thiophene-3(2H-Ones: Molecular Switches with Varying Migrants and Substituents

    Directory of Open Access Journals (Sweden)

    Alexander D. Dubonosov

    2009-01-01

    Full Text Available Synthesis and properties of photochromic acylated 2-(N-arylaminomethylenebenzo[b]thiophene-3(2H-ones are described. Their structure largely depends on the nature of acyl migrant and in a less degree on N-aryl substituent.

  20. A combined crossed molecular beams and theoretical study of the reaction CN + C{sub 2}H{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Balucani, Nadia, E-mail: nadia.balucani@unipg.it [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Leonori, Francesca; Petrucci, Raffaele [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Wang, Xingan [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Casavecchia, Piergiorgio [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia (Italy); Skouteris, Dimitrios [Scuola Normale Superiore, Pisa (Italy); Albernaz, Alessandra F. [Instituto de Física, Universidade de Brasília, Brasília (Brazil); Gargano, Ricardo [Instituto de Física, Universidade de Brasília, Brasília (Brazil); Departments of Chemistry and Physics, University of Florida, Quantum Theory Project, Gainesville, FL 32611 (United States)

    2015-03-01

    Highlights: • The CN + C{sub 2}H{sub 4} reaction was investigated in crossed beam experiments. • Electronic structure calculations of the potential energy surface were performed. • RRKM estimates qualitatively reproduce the experimental C{sub 2}H{sub 3}NC yield. - Abstract: The CN + C{sub 2}H{sub 4} reaction has been investigated experimentally, in crossed molecular beam (CMB) experiments at the collision energy of 33.4 kJ/mol, and theoretically, by electronic structure calculations of the relevant potential energy surface and Rice–Ramsperger–Kassel–Marcus (RRKM) estimates of the product branching ratio. Differently from previous CMB experiments at lower collision energies, but similarly to a high energy study, we have some indication that a second reaction channel is open at this collision energy, the characteristics of which are consistent with the channel leading to CH{sub 2}CHNC + H. The RRKM estimates using M06L electronic structure calculations qualitatively support the experimental observation of C{sub 2}H{sub 3}NC formation at this and at the higher collision energy of 42.7 kJ/mol of previous experiments.

  1. Adsorbed Layers of D2, H2, O2, and 3He on Graphite Studied by Neutron Scattering

    DEFF Research Database (Denmark)

    Nielsen, Mourits; McTague, J. P.; Ellenson, W. D.

    1977-01-01

    The phase diagrams of adsorbed monolayers of D2, H2, O2, and 3He on graphite have been measured by neutron diffraction. H2 and D2-layers have a registered √3 structure at low coverages, and at monolayer completion they have a dense triangular structure, which is incommensurate with the substrate....

  2. Non-isothermal Kinetics of the Dehydration Process of Na2MoO4·2H20

    Institute of Scientific and Technical Information of China (English)

    张建军; 张秀芳; 武克忠; 任宁; 周雪; 刘晓地

    2004-01-01

    The dehydration process of Na2MoO4·2H2O and its kinetics have been studied by TG-DTG. Using Malek method, SB(m,n) was defined as the kinetic model of the dehydration process. The corresponding kinetic and thermodynamic parameters were obtained.

  3. Characterization of T. aestivum-H, californicum chromosome addition lines DA2H and MA5H

    Institute of Scientific and Technical Information of China (English)

    Fang Kong; Haiyan Wang; Aizhong Cao; Bi Qin; Jianhui Ji; Suling Wang; Xiu-E Wang

    2008-01-01

    In order to transfer useful genes of Hordeum californicum into common wheat (Triticum aestivum L.), the T. aestivum c.v. Chinese Spring (CS)-H. californicum amphiploid was crossed to CS, and its backcrossing and self-fertilized progenies were analyzed by morpho-logical observation, cytological, biochemical and molecular marker techniques. Alien addition lines with two H. californicum chromo-somes were identified and their genetic constitution was characterized. STS-PCR analysis using chromosome 2B specific markers indi-cated that chromosome H3 of 1t. califomicum belongs to homoeologous group 2, and was thus designated 2H. SDS-PAGE showed that chromosome H2 of H. californicum belongs to homoeologous group 5, and was designated 5H. The CS-H. californicum amphiploid and the chromosome addition lines (DA2H and MA5H) identified were evaluated for powdery mildew (Erysiphe graminis f. sp. triticii) resis-tance in field. The preliminary results indicated that the amphiploid showed higher powdery mildew resistance than CS. However, chro-mosome addition lines DA2H and MA5H were highly susceptible to powdery mildew, indicating that major powdery mildew resistant genes of H. californicum should be located on chromosomes other than 2H and 5H.

  4. First line shape analysis and spectroscopic parameters for the ν11 band of 12C2H4

    KAUST Repository

    Es-sebbar, Et-touhami

    2016-08-11

    An accurate knowledge of line intensities, collisional broadening coefficients and narrowing parameters is necessary for the interpretation of high-resolution infrared spectra of the Earth and other planetary atmospheres. One of the most promising spectral domains for (C2H4)-C-12 monitoring in such environments is located near the 336 gm window, through its v(11) C-H stretching mode. In this paper, we report an extensive study in which we precisely determine spectroscopic parameters of (C2H4)-C-12 v(11) band at 297 +/- 1 K, using a narrow Difference-Frequency-Generation (DFG) laser with 10(-4) cm(-1) resolution. Absorption measurements were performed in the 2975-2980 cm(-1) spectral window to investigate 32 lines corresponding to where, J\\'ka\\',kc\\'<- Jka,kc, 5 <= J <= 7; 0.5 <= K-a <= 6 and 1 <= K-c <= 14. Spectroscopic parameters are retrieved using either Voigt or appropriate Galatry profile to simulate the measured (C2H4)-C-12 line shape. Line intensities along with self-broadening coefficients are reported for all lines. Narrowing coefficients for each isolated line are also derived. To our knowledge, the current study reports the first extensive spectroscopic parameter measurements of the (C2H4)-C-12 v(11) band in the 2975-2980 cm(-1) range. (C) 2016 Elsevier Ltd. All rights reserved.

  5. The hnRNP 2H9 gene, which is involved in the splicing reaction, is a multiply spliced gene

    DEFF Research Database (Denmark)

    Honoré, B

    2000-01-01

    The hnRNP 2H9 gene products are involved in the splicing process and participate in early heat shock-induced splicing arrest. By combining low/high stringency hybridisation, database search, Northern and Western blotting it is shown that the gene is alternatively spliced into at least six transcr...

  6. A NOTE ON THE CONSTRUCTION OF SYMPLECTIC SCHEMES FOR SPLITABLE HAMILTONIAN H = H(1) + H(2) + H(3)

    Institute of Scientific and Technical Information of China (English)

    Yifa Tang

    2002-01-01

    In this note, we will give a proof for the uniqueness of 4th-order time-reversible sym-plectic difference schemes of 13th-fold compositions of phase flows φtH(1), t tφH(2), φH(3) withdifferent temporal parameters for splitable hamiltonian H - H(1) + H(2) + H(3).

  7. Gradient nature shaping of the 20X2H4A steel structure as a carbonitriding result

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    @@ The study of the shaping of the gradient structure nature appearing in constructional alloy martensite 20X2H4A steel (0.2%C, 2%Cr, 4%Ni), as a result of surface saturation by carbon and nitrogen (carbonitriding) at 920℃ in industrial conditions is made in present work by methods of optical and transmission electron microscopy.

  8. Boron-doped silicon surfaces from $B_2H_6$ passivated by ALD $Al_2O_3$ for solar cells

    NARCIS (Netherlands)

    Mok, K.R.C. (Caroline); Loo, van de Bas W.H.; Vlooswijk, Ard H.G.; Kessels, W.M.M. (Erwin); Nanver, Lis K.

    2015-01-01

    A p+-doping method for silicon solar cells is presented whereby boron atoms from a pure boron (PureB) layer deposited by chemical vapor deposition using B2H6 as precursor were thermally diffused into silicon. The applicability of this doping process for the doped surfaces of silicon solar cells was

  9. Identification of Unsaturated and 2H Polyfluorocarboxylate Homologous Series and Their Detection in Environmental Samples and as Polymer Degradation Products

    Science.gov (United States)

    A pair of homologous series of polyfluorinated degradation products have been identified, both having structures similar to perfluorocarboxylic acids but (i) having a H substitution for F on the α carbon for 2H polyfluorocarboxylic acids (2HPFCAs) and (ii) bearing a double ...

  10. DNC/HNC and N2D+/N2H+ ratios in high-mass star forming cores

    CERN Document Server

    Fontani, F; Furuya, K; Sakai, N; Aikawa, Y; Yamamoto, S

    2014-01-01

    Chemical models predict that the deuterated fraction (the column density ratio between a molecule containing D and its counterpart containing H) of N2H+, Dfrac(N2H+), is high in massive pre-protostellar cores and rapidly drops of an order of magnitude after the protostar birth, while that of HNC, Dfrac(HNC), remains constant for much longer. We tested these predictions by deriving Dfrac(HNC) in 22 high-mass star forming cores divided in three different evolutionary stages, from high-mass starless core candidates (HMSCs, 8) to high-mass protostellar objects (HMPOs, 7) to Ultracompact HII regions (UCHIIs, 7). For all of them, Dfrac (N2H+) was already determined through IRAM-30m Telescope observations, which confirmed the theoretical rapid decrease of Dfrac(N2H+) after protostar birth (Fontani et al. 2011). Therefore our comparative study is not affected by biases introduced by the source selection. We have found average Dfrac(HNC) of 0.012, 0.009 and 0.008 in HMSCs, HMPOs and UCHIIs, respectively, with no stati...

  11. Atomic structures and electronic properties of 2H-NbSe{sub 2}: The impact of Ti doping

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hongping, E-mail: hpli@mail.ujs.edu.cn, E-mail: zcwang@wpi-aimr.tohoku.ac.jp; Chen, Lin; Zhang, Kun; Liang, Jiaqing; Tang, Hua; Li, Changsheng [Institute for Advanced Materials, School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Liu, Xiaojuan; Meng, Jian [State Key Laboratory of Rare Earth Resources Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Wang, Zhongchang, E-mail: hpli@mail.ujs.edu.cn, E-mail: zcwang@wpi-aimr.tohoku.ac.jp [Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2014-09-14

    Layered transition metal dichalcogenides have aroused renewed interest as electronic materials, yet their electronic performances could be modified by chemical doping. Here, we perform a systematic first-principles calculation to investigate the effect of Ti doping on atomic structure and electronic properties of the 2H-NbSe{sub 2}. We consider a total of three possible Ti-doping models and find that both the substitution and intercalated models are chemically preferred with the intercalation model being more favorable than the substitution one. Structural analyses reveal a slight lattice distortion triggered by Ti doping, but the original structure of 2H-NbSe{sub 2} is maintained. We also observe an expansion of c axis in the substituted model, which is attributed to the reduced van der Waals interaction arising from the increased Se-Se bond length. Our calculations also predict that the electron transport properties can be enhanced by the Ti doping, especially for the Ti-intercalated 2H-NbSe{sub 2}, which should be beneficial for the realization of superconductivity. Furthermore, the covalence element is found in the Ti-Se bonds, which is ascribed to the hybridization of Ti 3d and Se 4p orbitals. The findings indicate that doping of transition metals can be regarded as a useful way to tailor electronic states so as to improve electron transport properties of 2H-NbSe{sub 2}.

  12. Gradient nature shaping of the 20X2H4A steel structure as a carbonitriding result

    Institute of Scientific and Technical Information of China (English)

    Kozlov; E.; V.; Malinovskaya; V.; A.; Popova; N.; A.

    2005-01-01

    The study of the shaping of the gradient structure nature appearing in constructional alloy martensite 20X2H4A steel (0.2%C, 2%Cr, 4%Ni), as a result of surface saturation by carbon and nitrogen (carbonitriding) at 920℃ in industrial conditions is made in present work by methods of optical and transmission electron microscopy.……

  13. Superstaar Ott Lepland tõi Pärnu miksimeistrile B2H-le võidu / Andris Tammela

    Index Scriptorium Estoniae

    Tammela, Andris

    2009-01-01

    Pärnu hiphopartistist B2H-st ehk Andres Selgojast, kes võitis Power Hit Radio korraldatud võistluse, milles tuli remiksida TV3 show' "Eesti otsib superstaari" finalistide lugusid. Võidu tõi remiks värske superstaari Ott Leplandi esitatud Snoop Dogi loost "Who I Am (Whats My Name)"

  14. Low-temperature sup 2 H NMR spectroscopy of phospholipid bilayers containing docosahexaenoyl (22:6. omega. 3) chains

    Energy Technology Data Exchange (ETDEWEB)

    Barry, J.A.; Trouard, T.P.; Salmon, A.; Brown, M.F. (Univ. of Arizona, Tucson (United States))

    1991-08-27

    Polyunsaturated fatty acids are widely distributed components of biological membranes and are believed to be involved in many biological functions. However, the mechanisms by which they act on a molecular level are not understood. To further investigate the unique properties of {omega}3 polyunsaturated phospholipid bilayers, deuterium nuclear ming tic resonance ({sup 2}H NMR) studies have been made of the liquid-crystalline (L{sub {alpha}}) and gel phases of a homologous series of mixed-chain phosphatidylcholines containing docosahexaenoic acid: (per-{sup 2}H-n:0) (22:6) PC, where n = 12, 14, 16, and 18. The moments of the {sup 2}H NMR lineshapes have been evaluated, and form these the warming and cooling main phase transition temperatures were determined. The transition temperatures of the mixed-chain series were found to be significantly lower ing those of the corresponding lipids in the disaturated series, di(per-{sup 2}H-n:0)PC, with hystereses ranging form 2 to 14 C. Distinct effects of the docosahexaenoyl chain on bilayer order were found, though these effects varied across the mixed-chain series. In evaluating the moment data, an empirical method for normalizing the moments with respect to differences in temperature was applied, in addition to using the reduced temperature method. For the systems studied here, the method of normalization haing significant effect on the interpretation of the moment data.

  15. New details of the Fermi surface of 2H-NbSe2 revealed by quantum oscillations in the magnetostriction

    NARCIS (Netherlands)

    V. Sirenko; A. Gasparini; A. de Visser; V. Eremenko; V. Ibulaev; V. Bruk

    2008-01-01

    The layered charge-density wave (CDW) superconductor 2H-NbSe2 (TS=7.2 K) is the very first material in which quantum oscillations have been observed in the mixed state by means of magnetization and magnetostriction measurements. The magnetostriction technique offers the advantage that quantum oscill

  16. Convenient Synthesis of Substituted Quinoxalines and 2H-Benzo[b][1,4]oxazines in Water

    Institute of Scientific and Technical Information of China (English)

    DING Chang-jiang; WANG Yan; ZHANG Wei-wei; LIU Li; LIANG Yong-jiu; DONG De-wen

    2009-01-01

    A facile and convenient synthesis method has been developed for substituted quinoxalines and 2H-benzo[b][1,4]oxazines from the reactions of α-bromoketones with benzene-1,2-diamine and 2-aminophenol,respectively,which were catalyzed by tetrabutylammonium bromide(TBAB) in aqueous basic media.

  17. Acetylene (C2H2 and hydrogen cyanide (HCN from IASI satellite observations: global distributions, validation, and comparison with model

    Directory of Open Access Journals (Sweden)

    V. Duflot

    2015-05-01

    Full Text Available We present global distributions of C2H2 and HCN total columns derived from the Infrared Atmospheric Sounding Interferometer (IASI. These distributions are obtained with a fast method allowing to retrieve C2H2 abundance globally with a 5% precision and HCN abundance in the tropical (subtropical belt with a 10% (30% precision. IASI data are compared for validation purposes with ground-based Fourier Transform Infrared (FTIR spectrometer measurements at four selected stations. We show that there is an overall agreement between the ground-based and space measurements. Global C2H2 and subtropical HCN abundances retrieved from IASI spectra show the expected seasonality linked to variations in the anthropogenic emissions and seasonal biomass burning activity, as well as exceptional events, and are in good agreement with previous spaceborne studies. IASI measurements are also compared to the distributions from the Model for Ozone and Related Chemical Tracers, version 4 (MOZART-4. Seasonal cycles observed from satellite data are reasonably well reproduced by the model. However, the model seems to overestimate (underestimate anthropogenic (biomass burning emissions and a negative global mean bias of 1% (16% of the model relative to the satellite observations was found for C2H2 (HCN.

  18. On the formation of cyclopentadiene in the C3H5˙ + C2H2 reaction

    NARCIS (Netherlands)

    Bouwman, J.; Bodi, A.; Oomens, J.; Hemberger, P.

    2015-01-01

    The reaction between the allyl radical (C3H5˙) and acetylene (C2H2) in a heated microtubular reactor has been studied at the VUV beamline of the Swiss Light Source. The reaction products are sampled from the reactor and identified by their photoion mass-selected threshold photoelectron spectra

  19. Multi-scale characterization of lyotropic liquid crystals using 2H and diffusion MRI with spatial resolution in three dimensions.

    Directory of Open Access Journals (Sweden)

    Diana Bernin

    Full Text Available The ability of lyotropic liquid crystals to form intricate structures on a range of length scales can be utilized for the synthesis of structurally complex inorganic materials, as well as in devices for controlled drug delivery. Here we employ magnetic resonance imaging (MRI for non-invasive characterization of nano-, micro-, and millimeter scale structures in liquid crystals. The structure is mirrored in the translational and rotational motion of the water, which we assess by measuring spatially resolved self-diffusion tensors and 2H spectra. Our approach differs from previous works in that the MRI parameters are mapped with spatial resolution in all three dimensions, thus allowing for detailed studies of liquid crystals with complex millimeter-scale morphologies that are stable on the measurement time-scale of 10 hours. The 2H data conveys information on the nanometer-scale structure of the liquid crystalline phase, while the combination of diffusion and 2H data permits an estimate of the orientational distribution of micrometer-scale anisotropic domains. We study lamellar phases consisting of the nonionic surfactant C10E3 in 2H2O, and follow their structural equilibration after a temperature jump and the cessation of shear. Our experimental approach may be useful for detailed characterization of liquid crystalline materials with structures on multiple length scales, as well as for studying the mechanisms of phase transitions.

  20. Magnetic Properties of a Three-dimensional Supramolecular Complex[Co(hmt)2(SCN)2(H2O)2][Co(SCN)2(H2O)4](H2O)2%三维超分子配合物[Co(hmt)2(SCN)2(H2O)2][Co(SCN)2(H2O)4](H2O)2的磁性质(英文)

    Institute of Scientific and Technical Information of China (English)

    李纲; 李金鹏; 王翠红; 李林科; 侯红卫

    2002-01-01

    Supramolecular complex [Co(hmt)2(SCN)2(H2O)2][Co(SCN)2(H2O)4](H2O)2 (hmt =hexamethylenetetramine) is prepared according to previous literature. The determination of variable-temperature magnetic susceptibilities (5~300 K) shows that the magnetic behavior obeys the Curie-Weiss law over the whole temperature range. In this compound weak antiferromagnetic coupling can be observed.%参照文献制备了三维超分子配合物[Co(hmt)2(SCN)2(H2O)2][Co(SCN)2(H2O)4](H2O)2, 测试了该化合物在5~300 K范围内的变温磁化率.结果表明,其磁行为在测定的温度范围内遵守Curie-Weiss定律, 金属离子之间存在弱的反铁磁偶合.

  1. The inhibitory effect of piperine from Fructus piperis extract on the degranulation of RBL-2H3 cells.

    Science.gov (United States)

    Huang, Jing; Zhang, Tao; Han, Shengli; Cao, Jingjing; Chen, Qinhua; Wang, Sicen

    2014-12-01

    Allergy is an abnormal immune response to an allergen. Type I hypersensitivity is an immunoglobulin (Ig) E-mediated allergic disorder. Fructus piperis is derived from the ripe fruit of the pepper, which is widely used as a spice in human diets and is also administered as a medicine in many countries. Piperine has been shown to have anti-oxidant, anti-depressant, anti-tumor, and anti-inflammatory activities. However, the effect of piperine on IgE-mediated allergic responses has not been reported. Here, the rat basophilic leukemia cells by membrane chromatography (RBL-2H3/CMC) coupled to high performance liquid chromatography/mass spectrometry (HPLC/MS) to discover and identify piperine can bind to RBL-2H3 cell membranes. Piperine inhibited the expression of cytokines, and the release of both β-hexosaminidase and histamine, which could be stimulated by antigen in RBL-2H3 mast cells. We found that the levels of intracellular Ca(2+) also decreased. Furthermore, RT-PCR showed that the mRNA expression levels of IL-4, IL-13, and TNF-α were significantly suppressed by piperine. The inhibitory effect of piperine on IgE-mediated degranulation and cytokine production by RBL-2H3 cells may be caused by the inhibition of IgE-mediated signaling pathways, including the phosphorylation of Lyn, p38, Erk, and Ras. In summary, piperine can inhibit antigen-induced allergic reactions that control degranulation.

  2. N2H+ and N15NH+ toward the prestellar core 16293E in L1689N

    Science.gov (United States)

    Daniel, F.; Faure, A.; Pagani, L.; Lique, F.; Gérin, M.; Lis, D.; Hily-Blant, P.; Bacmann, A.; Roueff, E.

    2016-07-01

    Context. Understanding the processes that could lead to an enrichment of molecules in 15N atoms is of particular interest because this may shed light on the relatively strong variations observed in the 14N/15N ratio in various solar system environments. Aims: The sample of molecular clouds where 14N/15N ratios have been measured currently is small and has to be enlarged to allow statistically significant studies. In particular, the N2H+ molecule currently shows the broadest spread of 14N/15N ratios in high-mass star-forming regions. However, the 14N/15N ratio in N2H+ was obtained in only two low-mass star-forming regions (L1544 and B1b). We here extend this sample to a third dark cloud. Methods: We targeted the 16293E prestellar core, where the N15NH+J = 1-0 line was detected. Using a model previously developed for the physical structure of the source, we solved the molecular excitation with a nonlocal radiative transfer code. For this purpose, we computed specific collisional rate coefficients for the N15NH+-H2 collisional system. As a first step of the analysis, the N2H+ abundance profile was constrained by reproducing the N2H+J = 1-0 and 3-2 maps. A scaling factor was then applied to this profile to match the N15NH+J = 1-0 spectrum. Results: We derive a column density ratio N2H+/N15NH. Conclusions: We performed a detailed analysis of the excitation of N2H+ and N15NH+ in the direction of the 16293E core with modern models that solve the radiative transfer and with the most accurate collisional rate coefficients available to date. We obtained the third estimate of the N2H+/N15NH+ column density ratio in the direction of a cold prestellar core. The current estimate ~330 agrees with the typical value of the elemental isotopic ratio in the local interstellar medium. It is lower than in some other cores, however, where values as high as 1300 have been reported.

  3. Annual variation in event-scale precipitation δ2H at Barrow, AK, reflects vapor source region

    Science.gov (United States)

    Putman, Annie L.; Feng, Xiahong; Sonder, Leslie J.; Posmentier, Eric S.

    2017-04-01

    In this study, precipitation isotopic variations at Barrow, AK, USA, are linked to conditions at the moisture source region, along the transport path, and at the precipitation site. Seventy precipitation events between January 2009 and March 2013 were analyzed for δ2H and deuterium excess. For each precipitation event, vapor source regions were identified with the hybrid single-particle Lagrangian integrated trajectory (HYSPLIT) air parcel tracking program in back-cast mode. The results show that the vapor source region migrated annually, with the most distal (proximal) and southerly (northerly) vapor source regions occurring during the winter (summer). This may be related to equatorial expansion and poleward contraction of the polar circulation cell and the extent of Arctic sea ice cover. Annual cycles of vapor source region latitude and δ2H in precipitation were in phase; depleted (enriched) δ2H values were associated with winter (summer) and distal (proximal) vapor source regions. Precipitation δ2H responded to variation in vapor source region as reflected by significant correlations between δ2H with the following three parameters: (1) total cooling between lifted condensation level (LCL) and precipitating cloud at Barrow, ΔTcool, (2) meteorological conditions at the evaporation site quantified by 2 m dew point, Td, and (3) whether the vapor transport path crossed the Brooks and/or Alaskan ranges, expressed as a Boolean variable, mtn. These three variables explained 54 % of the variance (pTcool, 3.23 ± 0.83 ‰ °C-1 (pTcool Tcool explained 3 % of the variance in δ2H, Td alone accounted for 43 %, while mtn explained 2 %. For storms with distal vapor sources (ΔTcool > 7°C), ΔTcool explained 22 %, Td explained only 1 %, and mtn explained 18 %. The deuterium excess annual cycle lagged by 2-3 months during the δ2H cycle, so the direct correlation between the two variables is weak. Vapor source region relative humidity with respect to the sea surface

  4. 9- and 13-Hydroxy-octadecadienoic acids (9+13 HODE) are inversely related to granulocyte colony stimulating factor and IL-6 in runners after 2h running.

    Science.gov (United States)

    Nieman, David C; Meaney, Mary Pat; John, Casey S; Knagge, Kevin J; Chen, Huiyuan

    2016-08-01

    This study utilized a pro-inflammatory exercise mode to explore potential linkages between increases in 9- and 13-hydroxy-octadecadienoic acid (9+13 HODE) and biomarkers for inflammation, oxidative stress, and muscle damage. Male (N=10) and female (N=10) runners ran at ∼70% VO2max for 1.5h followed by 30min of downhill running (-10%). Blood samples were taken pre-run and immediately-, 1-h-, and 24-h post-run, and analyzed for 9+13 HODE, F2-isoprostanes, six cytokines, C-reactive protein (CRP), creatine kinase (CK), and myoglobin (MYO). Gender groups performed at comparable relative heart rate and oxygen consumption levels during the 2-h run. All outcome measures increased post-run (time effects, P⩽0.001), with levels near pre-run levels by 24h except for CRP, CK, MYO, and delayed onset of muscle soreness (DOMS). Plasma 9+13 HODE increased 314±38.4% post-run (Prun (Pincreased 50.8±8.9% post-run (Prun (P=0.006). Post-run increases were comparable between genders for all outcomes except for 9+13 HODE (interaction effect, P=0.024, post-run tending higher in females), IL-10 (P=0.006, females lower), and DOMS (P=0.029, females lower). The pre-to-post-run increase in 9+13 HODEs was not related to other outcomes except for plasma granulocyte colony stimulating factor (GCSF) (r=-0.710, Pincreases in 9+13 HODEs tended higher in females, and were not related to increases in F2-isoprostanes, muscle damage, or soreness. The negative relationships to GCSF and IL-6 suggest a linkage between 9+13 HODES and exercise-induced neutrophil chemotaxis, degranulation, and inflammation. Copyright © 2016 Elsevier Inc. All rights reserved.

  5. Acetylene (C2H2) and hydrogen cyanide (HCN) from IASI satellite observations: global distributions, validation, and comparison with model

    Science.gov (United States)

    Duflot, V.; Wespes, C.; Clarisse, L.; Hurtmans, D.; Ngadi, Y.; Jones, N.; Paton-Walsh, C.; Hadji-Lazaro, J.; Vigouroux, C.; De Mazière, M.; Metzger, J.-M.; Mahieu, E.; Servais, C.; Hase, F.; Schneider, M.; Clerbaux, C.; Coheur, P.-F.

    2015-09-01

    We present global distributions of C2H2 and hydrogen cyanide (HCN) total columns derived from the Infrared Atmospheric Sounding Interferometer (IASI) for the years 2008-2010. These distributions are obtained with a fast method allowing to retrieve C2H2 abundance globally with a 5 % precision and HCN abundance in the tropical (subtropical) belt with a 10 % (25 %) precision. IASI data are compared for validation purposes with ground-based Fourier transform infrared (FTIR) spectrometer measurements at four selected stations. We show that there is an overall agreement between the ground-based and space measurements with correlation coefficients for daily mean measurements ranging from 0.28 to 0.81, depending on the site. Global C2H2 and subtropical HCN abundances retrieved from IASI spectra show the expected seasonality linked to variations in the anthropogenic emissions and seasonal biomass burning activity, as well as exceptional events, and are in good agreement with previous spaceborne studies. Total columns simulated by the Model for Ozone and Related Chemical Tracers, version 4 (MOZART-4) are compared to the ground-based FTIR measurements at the four selected stations. The model is able to capture the seasonality in the two species in most of the cases, with correlation coefficients for daily mean measurements ranging from 0.50 to 0.86, depending on the site. IASI measurements are also compared to the distributions from MOZART-4. Seasonal cycles observed from satellite data are reasonably well reproduced by the model with correlation coefficients ranging from -0.31 to 0.93 for C2H2 daily means, and from 0.09 to 0.86 for HCN daily means, depending on the considered region. However, the anthropogenic (biomass burning) emissions used in the model seem to be overestimated (underestimated), and a negative global mean bias of 1 % (16 %) of the model relative to the satellite observations was found for C2H2 (HCN).

  6. Isotopic Water Analyzer for Highly Precise Measurements of δ2H, δ18O, and δ17O

    Science.gov (United States)

    Berman, E. S.; Fortson, S.; Snaith, S.; Gupta, M.

    2012-12-01

    Measurements of the stable isotope ratios (δ2H, δ18O and δ17O) of both liquid water and water vapor are widely used in hydrology, atmospheric sciences, and biogeochemistry to determine the migration of water through an ecosystem. Previously, discrete samples were collected (or condensed) and transported to an isotope ratio mass spectrometer for characterization. Due to the expense and labor associated with such sampling, isotope studies were generally limited in scope and in temporal resolution. We report on the continued development of a field-portable Isotopic Water Analyzer that exploits cavity-enhanced absorption spectrometry (e.g. Off-Axis ICOS) to accurately and rapidly quantify δ2H, δ18O and δ17O of both liquid water and water vapor. The instrument is thermally-controlled to better than ±8 mK and is capable of measuring over 90 liquid samples/day with δ2H, δ18O and δ17O precisions exceeding ±0.2 ‰, ±0.05 ‰, and ±0.06 ‰ respectively. Subsequent averaging yields δ2H, δ18O and δ17O precisions exceeding ±0.077 ‰, ±0.023 ‰, and ±0.03 ‰ respectively with over 22 samples/day. The accuracy of the liquid analyzer was confirmed over a very wide dynamic range (δ2H = -455 to +671 ‰ with comparable δ18O and δ17O values) by direct comparison to isotope ratio mass spectrometry. Moreover, the ability to directly measure 17O-excess, vapor samples, and unnatural waters (e.g. plant water, soil water, urine, blood, saliva…) will also be presented.

  7. Identification and expression of C2H2 transcription factor genes in Carica papaya under abiotic and biotic stresses.

    Science.gov (United States)

    Jiang, Ling; Pan, Lin-jie

    2012-06-01

    C2H2 proteins belong to a group of transcription factors (TFs) existing as a superfamily that plays important roles in defense responses and various other physiological processes in plants. The present study aimed to screen for and identify C2H2 proteins associated with defense responses to abiotic and biotic stresses in Carica papaya L. Data were collected for 47,483 papaya-expressed sequence tags (ESTs). The full-length cDNA nucleotide sequences of 87 C2H2 proteins were predicated by BioEdit. All 91 C2H2 proteins were aligned, and a phylogenetic tree was constructed using DNAman. The expression levels of 42 C2H2 were analyzed under conditions of salt stress by quantitative reverse transcriptase-polymerase chain reaction (qRT-PCR). Methyl jasmonate treatment rapidly upregulated ZF(23.4) and ZF(30,912.1) by 18.6- and 21.7-fold, respectively. ZF(1.3), ZF(138.44), ZF(94.49), ZF(29.160), and ZF(20.206) were found to be downregulated after low temperature treatment at very significant levels (p papaya ringspot virus pathogen. ZF(30,912.1) was subcellularly localized in the nucleus by a transgenic fusion of pBS-ZF(30,912.1)-GFP into the protoplast of papaya. The results of the present study showed that ZF(30,912.1) could be an important TF that mediates responses to abiotic and biotic stresses in papaya.

  8. CF3(+) and CF2H(+): new reagents for n-alkane determination in chemical ionisation reaction mass spectrometry.

    Science.gov (United States)

    Blake, Robert S; Ouheda, Saleh A; Evans, Corey J; Monks, Paul S

    2016-11-28

    Alkanes provide a particular analytical challenge to commonly used chemical ionisation methods such as proton-transfer from water owing to their basicity. It is demonstrated that the fluorocarbon ions CF3(+) and CF2H(+), generated from CF4, as reagents provide an effective means of detecting light n-alkanes in the range C2-C6 using direct chemical ionisation mass spectrometry. The present work assesses the applicability of the reagents in Chemical Ionisation Mass Spectrometric (CI-TOF-MS) environments with factors such as high moisture content, operating pressures of 1-10 Torr, accelerating electric fields (E/N) and long-lived intermediate complex formation. Of the commonly used chemical ionisation reagents, H3O(+) and NO(+) only react with hexane and higher while O2(+) reacts with all the target samples, but creates significant fragmentation. By contrast, CF3(+) and CF2H(+) acting together were found to produce little or no fragmentation. In dry conditions with E/N = 100 Td or higher the relative intensity of CF2H(+) to CF3(+) was mostly less than 1% but always less than 3%, making CF3(+) the main reagent ion. Using O2(+) in a parallel series of experiments, a substantially greater degree of fragmentation was observed. The detection sensitivities of the alkanes with CF3(+) and CF2H(+), while relatively low, were found to be better than those observed with O2(+). Experiments using alkane mixtures in the ppm range have shown the ionisation technique based on CF3(+) and CF2H(+) to be particularly useful for measurements of alkane/air mixtures found in polluted environments. As a demonstration of the technique's effectiveness in complex mixtures, the detection of n-alkanes in a smoker's breath is demonstrated.

  9. First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe110 surface.

    Science.gov (United States)

    Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

    2010-09-29

    Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C(2)H(2) molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C(2)H(2) molecules. The most stable site for C(2)H(2) on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C(2)H(2) molecule, the barrier height energies for the C atom, C(2)-dimer and CH as well as the C(2)H(2) molecule are estimated using the nudged elastic band method. The barrier height energy for C(2)H(2) is 0.71 eV and this indicates that the C(2)H(2) diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C(2)H(2) on Fe. The first step is the dissociation of C(2)H(2) into C(2)H and H, and the second step is that of C(2)H into C(2) and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C(2)H(2) into C(2)H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C(2)H(2). The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C(2)H(2) which characterizes the beginning of the formation of the graphene.

  10. Five years of CO, HCN, C2H6, C2H2, CH3OH, HCOOH and H2CO total columns measured in the Canadian high Arctic

    Science.gov (United States)

    Viatte, C.; Strong, K.; Walker, K. A.; Drummond, J. R.

    2014-06-01

    We present a five-year time series of seven tropospheric species measured using a ground-based Fourier transform infrared (FTIR) spectrometer at the Polar Environment Atmospheric Research Laboratory (PEARL; Eureka, Nunavut, Canada; 80°05' N, 86°42' W) from 2007 to 2011. Total columns and temporal variabilities of carbon monoxide (CO), hydrogen cyanide (HCN) and ethane (C2H6) as well as the first derived total columns at Eureka of acetylene (C2H2), methanol (CH3OH), formic acid (HCOOH) and formaldehyde (H2CO) are investigated, providing a new data set in the sparsely sampled high latitudes. Total columns are obtained using the SFIT2 retrieval algorithm based on the optimal estimation method. The microwindows as well as the a priori profiles and variabilities are selected to optimize the information content of the retrievals, and error analyses are performed for all seven species. Our retrievals show good sensitivities in the troposphere. The seasonal amplitudes of the time series, ranging from 34 to 104%, are captured while using a single a priori profile for each species. The time series of the CO, C2H6 and C2H2 total columns at PEARL exhibit strong seasonal cycles with maxima in winter and minima in summer, in opposite phase to the HCN, CH3OH, HCOOH and H2CO time series. These cycles result from the relative contributions of the photochemistry, oxidation and transport as well as biogenic and biomass burning emissions. Comparisons of the FTIR partial columns with coincident satellite measurements by the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) show good agreement. The correlation coefficients and the slopes range from 0.56 to 0.97 and 0.50 to 3.35, respectively, for the seven target species. Our new data set is compared to previous measurements found in the literature to assess atmospheric budgets of these tropospheric species in the high Arctic. The CO and C2H6concentrations are consistent with negative trends observed over the

  11. Plasma chemistry in an atmospheric pressure Ar/NH3 dielectric barrier discharge

    DEFF Research Database (Denmark)

    Fateev, A.; Leipold, F.; Kusano, Y.

    2005-01-01

    An atmospheric pressure dielectric barrier discharge (DBD) in Ar/NH3 (0.1 - 10%) mixtures with a parallel plate electrode geometry was studied. The plasma was investigated by emission and absorption spectroscopy in the UV spectral range. Discharge current and voltage were measured as well. UV...... absorption spectroscopy was also employed for the detection of stable products in the exhaust gas. To clarify the different processes for ammonia decomposition, N-2(2 - 10%) was added to the plasma. Modeling of the chemical kinetics in an Ar/NH3 plasma was performed as well. The dominant stable products...... of an atmospheric pressure Ar/NH3 DBD are H-2, N-2 and N2H4. The hydrazine (N2H4) concentration in the plasma and in the exhaust gases at various ammonia concentrations and different discharge powers was measured. Thermal N2H4 decomposition into NH2 radicals may be used for NOx reduction processes....

  12. Introduction of Deuterated Aromatic Amino Acids  [2,3,4,5,6-2H5]phenylalanine, [3,5-2H2]tyrosine and [2,4,5,6,7-2H5]tryptophan into a Molecule of Photochrome Trans-membrane Protein Bacteriorhodopsin

    Directory of Open Access Journals (Sweden)

    Oleg Mosin

    2015-09-01

    Full Text Available It was carried out the introduction of functionally important deuterated aromatic amino acids  [2,3,4,5,6-2H5]phenylalanine, [3,5-2H2]tyrosine and [2,4,5,6,7-2H5]tryptophan into a molecule of photochrome trans-membrane protein bacteriorhodopsin, synthesized by a photo-organotrophic halobacterium Halobacterium halobium ET 1001. The deuterated protein (output 810 mg was isolated from purple membranes by cellular autolysis by distilled water, processing of bacterial biomass by ultrasound at 22 KHz, alcohol extraction of low and high-weight molecular impurities, cellular RNA, carotenoids and lipids, with the subsequent solubilization of final product with 0,5 % (w/v SDS-Na and fractionation by methanol, gel filtration chromatography on Sephadex G-200, reverse-phase HPLC and EI impact mass-spectrometry of methyl esters of N-Dns-[2H]derivatives of amino acids. Deuterium was detected in all residues of aromatic amino acids. However, the presence in the EI mass spectrum of the BR hydrolysate the peaks [M]+ of semi-deuterated analogues of aromatic amino acids  phenylalanine with [M]+ at m/z = 413418, tyrosine  with [M]+ at m/z = 428430 and tryptophan  with [M]+ at m/z = 453457 with different levels of contributions to the deuterium enrichment of molecules testifies about the conservation of the minor pathways of biosynthesis of aromatic amino acids de novo.

  13. Synthesis, structure and photoluminescence of (HgCl3n (C6NO2H6n(C6NO2H5n•nH2O

    Directory of Open Access Journals (Sweden)

    Wen-Tong Chen

    2011-08-01

    Full Text Available A new isonicotinic acid compound with infinite mercury halide anionic chains, (HgCl3n (C6NO2H6n(C6NO2H5n•nH2O (1, was obtained from the hydrothermal reaction and structurally characterized by X-ray single diffraction. The title compound is characteristic of a one-dimensional structure, based on one-dimensional (HgCl3- anionic chains, protonated isonicotinic acid, neutral isonicotinic acid molecules and lattice water molecules. The protonated isonicotinic acid, neutral isonicotinic acid molecules and lattice water molecules are interconnected via hydrogen bonds to form a three-dimensional supramolecular framework. The (HgCl3- anionic chains are anchored in the voids of the supramolecular framework via hydrogen bonds. Photoluminescent investigation reveals that the title compound displays a strong emission in blue region. The emission band is identified as the π-π* transitions of the isonicotinic acid moieties.

  14. Synthesis and the crystal and molecular structure of the silver(I)-germanium(IV) polymeric complex with citrate anions {[Ag2Ge(H Cit)2(H2O)2] • 2H2O} n

    Science.gov (United States)

    Sergienko, V. S.; Martsinko, E. E.; Seifullina, I. I.; Churakov, A. V.; Chebanenko, E. A.

    2016-03-01

    The synthesis and X-ray diffraction study of compound {[Ag2Ge(H Cit)2(H2O)2] • 2H2O} n , where H4 Cit is the citric acid, are performed. In the polymeric structure, the H Cit 3- ligand fulfils the tetradentate chelate-μ4-bridging (3Ag, Ge) function (tridentate with respect to Ge and Ag atoms). The Ge atom is octahedrally coordinated by six O atoms of two H Cit 3-ligands. The coordination polyhedron of the Ag atom is an irregular five-vertex polyhedron [four O atoms of four H Cit 3- ligands and the O(H2O) atom]. An extended system of O-H···O hydrogen bonds connects complex molecules into a supramolecular 3D-framework.

  15. Crystal Structure of Poly[(acetone-O-3-((3,4-dimethoxyphenyl(4-hydroxy-2-oxo-2H-chromen-3-ylmethyl-(2-oxo-2H-chromen-4-olatesodium

    Directory of Open Access Journals (Sweden)

    Anita Penkova

    2010-01-01

    Full Text Available The structure of Poly[(acetone-O-3-((3,4-dimethoxyphenyl(4-hydroxy-2-oxo-2H-chromen-3-ylmethyl-(2-oxo-2H-chromen-4-olatesodium] was determined by X-ray crystallography. The compound crystallizes in an orthorhombic system and was characterized thus P 21 21 21, a=9.967(2 Å, b=11.473(3 Å, c=22.176(5 Å. Z=4, V=2535.9(10 Å3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F2 to final values of R1=0.0601 and wR2=0.1515.

  16. CeO2对CuCl/活性炭吸附剂C2H4/C2H6吸附分离性能促进作用

    National Research Council Canada - National Science Library

    邢建东 敬方梨 储伟 孙红丽 喻磊 张欢 罗仕忠

    2015-01-01

    通过等体积浸渍方法制备了添加CeO2助剂的用于C2H4/C2H6吸附分离的CuCl/活性炭(AC)吸附剂,使用氮气吸附-脱附曲线、X射线衍射(XRD)、X射线光电子能谱(XPS)、扫描电子显微镜(SEM)、能量分散X射线光谱(EDX)等分析方法对吸附剂进行了表征.结果表明,吸附剂表面Cu(II)在氮气气氛焙烧过程中被...

  17. THE STARK EFFECT IN THE STIMULATED RAMAN SPECTRA (SRS) OF MOLECULE C2H2%C2H2分子受激Raman光谱中的光学Stark效应研究

    Institute of Scientific and Technical Information of China (English)

    高文斌; 杨永德; 徐娙梅

    2002-01-01

    本文研究了C2H2分子受激Raman光谱(SRS)中的光学斯塔克(Stark)效应,同时还研究了激光功率以及单一转动态量子数J与Stark效应的关系.实验表明:C2H2分子在高强度激光电场作用下,它的SRS由于光学Stark效应产生明显的非对称加宽,利用Stark线型加宽数值模拟,从理论上计算了Raman光谱线型,与实验的SRS线型比较,二者符合程度相当好.

  18. Effect of CO2 Partial Pressure on CO2/H2S Corrosion of Oil Tube Steel%CO2分压对油管钢CO2/H2S腐蚀的影响

    Institute of Scientific and Technical Information of China (English)

    张清; 李全安; 文九巴; 白真权

    2004-01-01

    采用高温高压釜、失重法和扫描电镜, 对不同CO2分压(310.264 2、 930.792 6、1 551.321 0、2 171.849 4 kPa)条件下油管钢N80和P110的CO2/H2S腐蚀进行了研究.结果表明,随着CO2分压的升高,两种钢的CO2/H2S腐蚀速率均单调增加;除了CO2分压极低的情况以外,P110钢的腐蚀速率总是大于N80钢.

  19. Pressure and CO2/H2S Corrosion Rates of Oil Tube Steels%压力与油管钢CO2/H2S腐蚀速率的关系

    Institute of Scientific and Technical Information of China (English)

    张清; 李全安; 文九巴; 白真权

    2005-01-01

    采用高温高压釜,辅以失重法和扫描电镜,对不同CO2和H2S分压下油管钢N80、P110的CO2/H2S腐蚀进行了研究.结果表明,随着CO2分压的升高,两种钢的CO2/H2S腐蚀速率均单调增加;随着H2S分压的升高,两种钢的腐蚀速率先增后降,且都在H2S分压为3 psi时取得最大值.

  20. Production of 34S-labeled gypsum (Ca34SO4.2H2O Produção de gesso (Ca34SO4.2H2O, marcado com 34S

    Directory of Open Access Journals (Sweden)

    Alexssandra Luiza Rodrigues Molina Rossete

    2006-08-01

    Full Text Available Agricultural gypsum (CaSO4.2H2O stands out as an effective source of calcium and sulfur, and to control aluminum saturation in the soil. Labeled as 34S it can elucidate important aspects of the sulfur cycle. Ca34SO4.2H2O was obtained by chemical reaction between Ca(OH2 and H2(34SO4, performed under slow agitation. The acid was produced by ion exchange chromatography using the Dowex 50WX8 cation exchange resin and a Na2(34SO4 eluting solution. After precipitation, the precipitate was separated and dried in a ventilated oven at 60ºC. From 2.2 L H2SO4 0.2 mol L-1 and 33.6 g Ca(OH2, 73.7 ± 0.6 g Ca34SO4.2H2O were produced on average in the tests, representing a mean yield of 94.6 ± 0.8%, with 98% purity. The 34SO2 gas was obtained from Ca34SO4.2H2O in the presence of NaPO3 in a high vacuum line and was used for the isotopic determination of S in an ATLAS-MAT model CH-4 mass spectrometer.O gesso agrícola (CaSO4.2H2O destaca-se como fonte eficiente de cálcio e enxofre e na redução da saturação de alumínio no solo. O 34S como traçador isotópico pode elucidar aspectos importantes no ciclo do enxofre. Para tanto o Ca34SO4.2H2O foi obtido por reação química entre o Ca(OH2 e solução de H2(34SO4, realizada sob agitação lenta. O ácido foi produzido por cromatografia de troca iônica, utilizando resina catiônica Dowex 50WX8 e solução eluente de Na2(34SO4. Após a precipitação foi separado o precipitado e realizada a secagem em estufa ventilada à temperatura de 60ºC. Nos testes, a partir de 2,2 L de H2SO4 0,2 mol L-1 e 33,6 g de Ca(OH2, foram produzidos em média 73,7 ± 0,6 g de Ca34SO4.2H2O representando um rendimento médio de 94,6 ± 0,8%, com pureza de 98%. A partir do Ca34SO4.2H2O na presença de NaPO3, em linha de alto vácuo, obteve-se o gás 34SO2 utilizado para a determinação isotópica do S no espectrômetro de massas ATLAS-MAT modelo CH-4.

  1. Magnetoresistive waves in plasmas

    Science.gov (United States)

    Felber, F. S.; Hunter, R. O., Jr.; Pereira, N. R.; Tajima, T.

    1982-10-01

    The self-generated magnetic field of a current diffusing into a plasma between conductors can magnetically insulate the plasma. Propagation of magnetoresistive waves in plasmas is analyzed. Applications to plasma opening switches are discussed.

  2. A quantum chemical study of the N{sub 2}H{sup +} + e{sup -}{yields}NH + N reaction

    Energy Technology Data Exchange (ETDEWEB)

    Talbi, D, E-mail: Dahbia.talbi@graal.univ-montp2.f [Universite Montpellier II - GRAAL, CNRS - UMR 5024 place Eugene Bataillon, 34095 Montpellier (France)

    2009-11-15

    A theoretical investigation of the DR of N{sub 2}H{sup +} to give N + NH has been undertaken because it is of interest for astrochemistry but also because the DR of N{sub 2}H{sup +} has been determined experimentally leading to controversial results. Using the same level of theory used to investigate the DR of N{sub 2}H{sup +} along the N{sub 2} + H reaction path, the present study shows that the lowest repulsive state of N{sub 2}H leading to the NH and N fragments in their ground electronic states is likely going to cross the N{sub 2}H{sup +} ionic curve far above its v = 0 vibrational energy level. This study suggests that the DR of N{sub 2}H{sup +} to give N + NH should not be efficient in the low temperature of the interstellar clouds.

  3. Crystal structures of [Mn(bdc(Hspar2(H2O0.25]·2H2O containing MnO6+1 capped trigonal prisms and [Cu(Hspar2](bdc·2H2O containing CuO4 squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate

    Directory of Open Access Journals (Sweden)

    Zhe An

    2016-01-01

    Full Text Available The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ2O,O′bis(sparfloxacin-κ2O,O′manganese(II dihydrate, [Mn(C8H4O4(C19H22F2N4O32(H2O0.25]·2H2O or [Mn(bdc(Hspar2(H2O0.25]·2H2O, (I, and bis(sparfloxacin-κ2O,O′copper(II benzene-1,4-dicarboxylate dihydrate, [Cu(C19H22F2N4O32](C8H4O4·2H2O or [Cu(Hspar2](bdc·2H2O, (II, are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate. The Mn2+ ion in (I is coordinated by two O,O′-bidentate Hspar neutral molecules (which exist as zwitterions and an O,O′-bidentate bdc dianion to generate a distorted MnO6 trigonal prism. A very long bond [2.580 (12 Å] from the Mn2+ ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II, the Cu2+ ion lies on a crystallographic inversion centre and a CuO4 square-planar geometry arises from its coordination by two O,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I and (II feature intramolecular N—H...O hydrogen bonds, which close S(6 rings. In the crystals of both (I and (II, the components are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, generating three-dimensional networks.

  4. The solubilities of calcite, aragonite and vaterite in CO2-H2O solutions between 0 and 90°C, and an evaluation of the aqueous model for the system CaCO3-CO2-H2O

    Science.gov (United States)

    Plummer, L. Niel; Busenberg, Eurybiades

    1982-01-01

    Calculations based on approximately 350 new measurements (CaT-PCO2) of the solubilities of calcite, aragonite and vaterite in CO2-H2O solutions between 0 and 90°C indicate the following values for the log of the equilibrium constants KC, KA, and KV respectively, for the reaction CaCO3(s) = Ca2+ + CO2−3: 

  5. Laboratory Studies on the Formation of Three C2H4O Isomers-Acetaldehyde (CH3CHO), Ethylene Oxide (c-C2H4O), and Vinyl Alcohol (CH2CHOH)-in Interstellar and Cometary Ices

    Science.gov (United States)

    Bennett, Chris J.; Osamura, Yoshihiro; Lebar, Matt D.; Kaiser, Ralf I.

    2005-11-01

    Laboratory experiments were conducted to unravel synthetic routes to form three C2H4O isomers-acetaldehyde (CH3CHO), ethylene oxide (c-C2H4O), and vinyl alcohol (CH2CHOH)-in extraterrestrial ices via electronic energy transfer processes initiated by electrons in the track of MeV ion trajectories. Here we present the results of electron irradiation on a 2:1 mixture of carbon dioxide (CO2) and ethylene (C2H4). Our studies suggest that suprathermal oxygen atoms can add to the carbon-carbon π bond of an ethylene molecule to form initially an oxirene diradical (addition to one carbon atom) and the cyclic ethylene oxide molecule (addition to two carbon atoms) at 10 K. The oxirene diradical can undergo a [1, 2]-H shift to the acetaldehyde molecule. Both the ethylene oxide and the acetaldehyde isomers can be stabilized in the surrounding ice matrix. To a minor amount, suprathermal oxygen atoms can insert into a carbon-hydrogen bond of the ethylene molecule, forming vinyl alcohol. Once these isomers have been synthesized inside the ice layers of the coated grains in cold molecular clouds, the newly formed molecules can sublime as the cloud reaches the hot molecular core stage. These laboratory investigations help to explain astronomical observations by Nummelin et al. and Ikeda et al. toward massive star-forming regions and hot cores, where observed fractional abundances of these isomers are higher than can be accounted for by gas-phase reactions alone. Similar synthetic routes could help explain the formation of acetaldehyde and ethylene oxide in comet C/1995 O1 (Hale-Bopp) and also suggest a presence of both isomers in Titan's atmosphere.

  6. Feeding of [5,5-2H(2)]-1-desoxy-D-xylulose and [4,4,6,6,6-2H(5)]-mevalolactone to a geosmin-producing Streptomyces sp. and Fossombronia pusilla.

    Science.gov (United States)

    Spiteller, Dieter; Jux, Andreas; Piel, Jörn; Boland, Wilhelm

    2002-12-01

    The biosynthesis of the trisnor sesquiterpenoid geosmin (4,8a-dimethyl-octahydro-naphthalen-4a-ol) (1) was investigated by feeding labeled [5,5-2H(2)]-1-desoxy-D-xylulose (11), [4,4,6,6,6-(2)H(5)]-mevalolactone (7) and [2,2-2H(2)]-mevalolactone (9) to Streptomyces sp. JP95 and the liverwort Fossombronia pusilla. The micro-organism produced geosmin via the 1-desoxy-D-xylulose pathway, whereas the liverwort exclusively utilized mevalolactone for terpenoid biosynthesis. Analysis of the labeling pattern in the resulting isotopomers of geosmin (1) by mass spectroscopy (EI/MS) revealed that geosmin is synthesized in both organisms by cyclization of farnesyl diphosphate to a germacradiene-type intermediate 4. Further transformations en route to geosmin (1) involve an oxidative dealkylation of an i-propyl substituent, 1,2-reduction of a resulting conjugated diene, and bicyclization of a germacatriene intermediate 13. The transformations largely resemble the biosynthesis of dehydrogeosmin (2) in cactus flowers but differ with respect to the regioselectivity of the side chain dealkylation and 1,2-reduction

  7. Hydrothermal Synthesis and Structure of a Mixed-valence Polyoxotungstate Decorated by Copper(I) Coordination Group, [Cu(en)2H2O]2[{Cu(en)2}HPW12O40]·2H2O

    Institute of Scientific and Technical Information of China (English)

    LI Zhen; LIN Bi-Zhou; HAN Guo-Hua; GENG Feng; LIU Pei-De

    2005-01-01

    A complex [Cu(en)2H2O]2[{Cu(en)2}HPW12O40]·2H2O (C12H57Cu3N12O44PW12, Mr = 3501.49) has been synthesized under hydrothermal conditions and its crystal structure was determined by X-ray diffraction.It crystallizes in the orthorhombic system, space group Pbca with a = 21.680(4), b = 20.680(4), c = 26.120(5) (A), V = 11711(4) (A)3, Dc = 3.972 g/cm3, Z = 8, μ(MoKa) = 24.661 mm-1, F(000) = 12440, the final R = 0.0527 and wR = 0.1416 for 11527 observed reflec- tions with I > 2σ(I).The crystal structure is composed of [{Cu(en)2}HPW12O40]2- anions, discrete [Cu(en)2H2O]+ complex cations and crystal water molecules, which are held together into a three- dimensional network through hydrogen-bonding interactions.The anionic [{Cu(en)2}HPW12O40]2- is formed by the mixed valance {HPWVI11WVO40}3- Keggin unit covalently linked by a {Cu(en)2}+ group.

  8. Synthesis and Antimicrobial Activity of Some Derivatives on the Basis (7-hydroxy-2-oxo-2H-chromen-4-yl-acetic Acid Hydrazide

    Directory of Open Access Journals (Sweden)

    Elizabeth Has-Schon

    2006-03-01

    Full Text Available (7-Hydroxy-2-oxo-2H-chromen-4-yl-acetic acid hydrazide (2 was prepared from (7-hydroxy-2-oxo-2H-chromen-4-yl-acetic acid ethyl ester (1 and 100% hydrazine hydrate. Compound 2, is the key intermediate for the synthesis of several series of new compounds such as Schiff’s bases 3a-l, formic acid N'-[2-(7-hydroxy-2-oxo-2H- chromen-4-ylacetyl] hydrazide (4, acetic acid N'-[2-(7-hydroxy-2-oxo-2H-chromen-4- yl-acetyl] hydrazide (5, (7-hydroxy-2-oxo-2H-chromen-4-yl-acetic acid N'-[2-(4- hydroxy-2-oxo-2H-chromen-3-yl-2-oxoethyl] hydrazide (6, 4-phenyl-1-(7-hydroxy-2- oxo-2H-chromen- 4-acetyl thiosemicarbazide (7, ethyl 3-{2-[2-(7-hydroxy-2-oxo-2H- chromen-4-yl-acetyl]hydrazono}butanoate (8, (7-hydroxy-2-oxo-2H-chromen-4-yl- acetic acid N'-[(4-trifluoromethylphenyliminomethyl] hydrazide (9 and (7-hydroxy-2- oxo-2H-chromen-4-ylacetic acid N'-[(2,3,4-trifluorophenylimino-methyl] hydrazide (10. Cyclo- condensation of compound 2 with pentane-2,4-dione gave 4-[2-(3,5- dimethyl-1H-pyrazol-1-yl-2-oxoethyl]-7-hydroxy-2H-chromen-2-one (11, while with carbon disulfide it afforded 7-hydroxy-4-[(5-mercapto-1,3,4-oxadiazol-2-ylmethyl]-2H- chromen-2-one (12 and with potassium isothiocyanate it gave 7-hydroxy-4-[(5- mercapto-4H-1,2,4-triazol-3-ylmethyl]-2H-chromen-2-one (14. Compound 7 was cyclized to afford 2-(7-hydroxy-2-oxo-2H-chromen-4-yl-N ́-(4-oxo-2-phenylimino- thiazolidin-3-yl acetamide (15.

  9. Electrosurgical plasmas

    Science.gov (United States)

    Stalder, Kenneth R.; McMillen, Donald F.; Woloszko, Jean

    2005-06-01

    Electrosurgical medical devices based on repetitively pulsed nonequilibrium micron-scale to millimetre-scale plasma discharges in saline solutions are described. The formation of vapour layers (bubbles) around active electrodes appears to be a common feature at moderate (<300 V rms) voltages, and dissociation, excitation and ionization of the vapour in these bubbles produces chemical conditions that are thought to be the source of beneficial tissue removal and treatment. Experimental data are discussed, as are the results of modelling efforts of the plasma chemistry. Hydroxyl radicals, hydrogen atoms and other species are observed spectroscopically and their interactions with collagen, a common component of tissue encountered in surgical situations, are considered. Several pathways by which hydroxyl radicals interacting with collagen can lead to tissue removal are discussed.

  10. Electrosurgical plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Stalder, Kenneth R; McMillen, Donald F; Woloszko, Jean [ArthroCare Corp., Sunnyvale, CA 94085-3523 (United States)

    2005-06-07

    Electrosurgical medical devices based on repetitively pulsed nonequilibrium micron-scale to millimetre-scale plasma discharges in saline solutions are described. The formation of vapour layers (bubbles) around active electrodes appears to be a common feature at moderate (<300 V rms) voltages, and dissociation, excitation and ionization of the vapour in these bubbles produces chemical conditions that are thought to be the source of beneficial tissue removal and treatment. Experimental data are discussed, as are the results of modelling efforts of the plasma chemistry. Hydroxyl radicals, hydrogen atoms and other species are observed spectroscopically and their interactions with collagen, a common component of tissue encountered in surgical situations, are considered. Several pathways by which hydroxyl radicals interacting with collagen can lead to tissue removal are discussed.

  11. Plasma physics

    CERN Document Server

    Cairns, R A

    1985-01-01

    This book is intended as an introduction to plasma physics at a level suitable for advanced undergraduates or beginning postgraduate students in physics, applied mathematics or astrophysics. The main prerequisite is a knowledge of electromagnetism and of the associated mathematics of vector calculus. SI units are used throughout. There is still a tendency amongst some plasma physics researchers to· cling to C.g.S. units, but it is the author's view that universal adoption of SI units, which have been the internationally agreed standard since 1960, is to be encouraged. After a short introductory chapter, the basic properties of a plasma con­ cerning particle orbits, fluid theory, Coulomb collisions and waves are set out in Chapters 2-5, with illustrations drawn from problems in nuclear fusion research and space physics. The emphasis is on the essential physics involved and (he theoretical and mathematical approach has been kept as simple and intuitive as possible. An attempt has been made to draw attention t...

  12. Plasma pharmacy - physical plasma in pharmaceutical applications.

    Science.gov (United States)

    von Woedtke, Th; Haertel, B; Weltmann, K-D; Lindequist, U

    2013-07-01

    During the last years the use of physical plasma for medical applications has grown rapidly. A multitude of findings about plasma-cell and plasma-tissue interactions and its possible use in therapy have been provided. One of the key findings of plasma medical basic research is that several biological effects do not result from direct plasma-cell or plasma-tissue interaction but are mediated by liquids. Above all, it was demonstrated that simple liquids like water or physiological saline, are antimicrobially active after treatment by atmospheric pressure plasma and that these effects are attributable to the generation of different low-molecular reactive species. Besides, it could be shown that plasma treatment leads to the stimulation of specific aspects of cell metabolism and to a transient and reversible increase of diffusion properties of biological barriers. All these results gave rise to think about another new and innovative field of medical plasma application. In contrast to plasma medicine, which means the direct use of plasmas on or in the living organism for direct therapeutic purposes, this field - as a specific field of medical plasma application - is called plasma pharmacy. Based on the present state of knowledge, most promising application fields of plasma pharmacy might be: plasma-based generation of biologically active liquids; plasma-based preparation, optimization, or stabilization of - mainly liquid - pharmaceutical preparations; support of drug transport across biological barriers; plasma-based stimulation of biotechnological processes.

  13. Temperature dependent product yields for the spin forbidden singlet channel of the C(3P) + C2H2 reaction

    Science.gov (United States)

    Hickson, Kevin M.; Loison, Jean-Christophe; Wakelam, Valentine

    2016-08-01

    The atomic hydrogen formation channels of the C + C2H2 reaction have been investigated using a continuous supersonic flow reactor over the 52-296 K temperature range. H-atoms were detected directly at 121.567 nm by vacuum ultraviolet laser induced fluorescence. Absolute H-atom yields were determined by comparison with the H-atom signal generated by the C + C2H4 reaction. The product yields agree with earlier crossed beam experiments employing universal detection methods. Incorporating these branching ratios in a gas-grain model of dense interstellar clouds increases the c-C3H abundance. This reaction is a minor source of C3-containing molecules in the present simulations.

  14. Near-IR tunable laser based photoacoustic sensor for sub-ppb C2H2 detections

    Science.gov (United States)

    Wang, Jianwei; Wang, Huili

    2015-05-01

    A photoacoustic sensor for the detection of acetylene (C2H2) based on an EDFA-amplified tunable laser at 1530.37 nm is reported. This sensor consists of a near-IR tunable external cavity diode laser combined with a fiber amplifier and wavelength modulation mechanism. In order to improve detection sensitivity and accuracy, an optimized resonant photoacoustic cell based on an acoustic longitudinal mode and automatic tracking of the acoustic resonance frequency using a speaker and a FPGA-based servo controller is implemented. The minimum detection limit (signal-to-noise ratio = 1) of 0.8 ppb for C2H2 is demonstrated at room temperature and atmospheric pressure.

  15. Analysis Of 2H-Evaporator Scale Wall [HTF-13-82] And Pot Bottom [HTF-13-77] Samples

    Energy Technology Data Exchange (ETDEWEB)

    Oji, L. N.

    2013-09-11

    Savannah River Remediation (SRR) is planning to remove a buildup of sodium aluminosilicate scale from the 2H-evaporator pot by loading and soaking the pot with heated 1.5 M nitric acid solution. Sampling and analysis of the scale material has been performed so that uranium and plutonium isotopic analysis can be input into a Nuclear Criticality Safety Assessment (NCSA) for scale removal by chemical cleaning. Historically, since the operation of the Defense Waste Processing Facility (DWPF), silicon in the DWPF recycle stream combines with aluminum in the typical tank farm supernate to form sodium aluminosilicate scale mineral deposits in the 2H-evaporator pot and gravity drain line. The 2H-evaporator scale samples analyzed by Savannah River National Laboratory (SRNL) came from two different locations within the evaporator pot; the bottom cone sections of the 2H-evaporator pot [Sample HTF-13-77] and the wall 2H-evaporator [sample HTF-13-82]. X-ray diffraction analysis (XRD) confirmed that both the 2H-evaporator pot scale and the wall samples consist of nitrated cancrinite (a crystalline sodium aluminosilicate solid) and clarkeite (a uranium oxyhydroxide mineral). On ''as received'' basis, the bottom pot section scale sample contained an average of 2.59E+00 {+-} 1.40E-01 wt % total uranium with a U-235 enrichment of 6.12E-01 {+-} 1.48E-02 %, while the wall sample contained an average of 4.03E+00 {+-} 9.79E-01 wt % total uranium with a U-235 enrichment of 6.03E-01% {+-} 1.66E-02 wt %. The bottom pot section scale sample analyses results for Pu-238, Pu-239, and Pu-241 are 3.16E-05 {+-} 5.40E-06 wt %, 3.28E-04 {+-} 1.45E-05 wt %, and <8.80E-07 wt %, respectively. The evaporator wall scale samples analysis values for Pu-238, Pu-239, and Pu-241 averages 3.74E-05 {+-} 6.01E-06 wt %, 4.38E-04 {+-} 5.08E-05 wt %, and <1.38E-06 wt %, respectively. The Pu-241 analyses results, as presented, are upper limit values. For these two evaporator scale samples

  16. Vibrational properties of 2H-PbI{sub 2} semiconductors studied via Density Functional Theory calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pedesseau, L., E-mail: laurent.pedesseau@insa.rennes.fr [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France); Even, J. [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France); Katan, C. [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France); CNRS, Institut des Sciences Chimiques de Rennes, UMR 6226, 35042 Rennes (France); Raouafi, F. [Laboratoire de Physico-chimie des matériaux polymères, Institut Préparatoire aux Etudes Scientifiques et Techniques, BP51, 2070 La Marsa (Tunisia); Wei, Y.; Deleporte, E. [Laboratoire de Photonique Quantique et Moléculaire, Ecole Normale Supérieure de Cachan, 61 Avenue du Président Wilson, 94 235 Cachan Cedex (France); Jancu, J.-M. [Université Européenne de Bretagne, INSA, FOTON, UMR CNRS 6082, 20 Avenue des Buttes de Coësmes, F-35708 Rennes (France)

    2013-08-31

    Density Functional Theory is used to study the vibrational properties of 2H-PbI{sub 2} semiconductor. The Born charge tensors are determined. Calculated phonon frequencies at the Brillouin zone center are compared to Raman scattering and IR absorption measurements. The computed Raman spectra show a good agreement with available experimental data. The simulated phonon dispersion curves are compared with triple-axis neutron scattering measurements. - Highlights: ► Symmetry properties of the optical phonons of the 2H-PbI{sub 2} crystal are analysed. ► Born charges and the dynamical matrix are calculated the Brillouin zone center. ► Raman spectra and Phonon dispersion have been compared with experimental results. ► Dielectric tensors are calculated and compared to measurements.

  17. Chemical synthesis and characterization of hydrous tin oxide (SnO2:H2O) thin films

    Indian Academy of Sciences (India)

    S N Pusawale; P R Deshmukh; C D Lokhande

    2011-10-01

    In the present investigation, we report chemical synthesis of hydrous tin oxide (SnO2:H2O) thin films by successive ionic layer adsorption and reaction (SILAR) method at room temperature (∼300 K). The films are characterized for their structural and surface morphological properties. The formation of nanocrystalline SnO2 with porous and agglomerated particle morphology is revealed from X-ray diffraction (XRD) and scanning electron microscopy (SEM) studies, respectively. The Fourier transform infrared spectroscopy (FTIR) study confirmed the formation of Sn–O phase and hydrous nature of the deposited film. Static water contact angle studies showed the hydrophilic nature of SnO2:H2O thin film. Electrical resistivity showed the semiconducting behaviour with room temperature electrical resistivity of 105 cm. The electrochemical properties studied in 0.5 M Na2SO4 electrolyte showed a specific capacitance of 25 F g-1 at 5 mVs-1 scan rate.

  18. Updated evidences of the Trojan Horse particle invariance for $^2$H(d,p)$^3$H reaction

    CERN Document Server

    Pizzone, R G; Bertulani, C A; Mukhamedzhanov, A M; Blokhintsev, L; La Cognata, M; Lamia, L; Rinollo, A; Spartá, R; Tumino, A

    2012-01-01

    The Trojan Horse nucleus invariance for the binary d(d,p)t reaction was tested using the quasi free $^2$H($^6$Li, pt)$^4$He and $^2$H($^3$He,pt)H reactions after $^6$Li and $^3$He break-up, respectively. The astrophysical S(E)-factor for the d(d,p)t binary process was then extracted in the framework of the Plane Wave Approximation applied to the two different break-up schemes. The obtained results are compared with direct data as well as with previous indirect investigations. The very good agreement confirms the applicability of the Plane Wave Approximation and suggests the independence of binary indirect cross section on the chosen Trojan Horse nucleus also for the present case.

  19. Effect of stoichiometry on the superconducting transition temperature in single crystalline 2H-NbS2

    Science.gov (United States)

    Lian, Hailong; Wu, Yueshen; Xing, Hui; Wang, Shun; Liu, Ying

    2017-07-01

    Single crystals of 2H-NbS2 are prepared by chemical vapor transport method under varying conditions. The residual resistivity ratio (RRR) of the as-grown single crystals is observed to change from 10 to 60, while the superconducting transition temperatures (Tc) remain around 6.2 K. Changes in stoichiometry were obtained by annealing in different conditions, resulting in sulfur deficient 2H-NbS2-y single crystals. Both Tc and RRR of the annealed samples are found to drop drastically when y increases from 0.05 to 0.10, which is argued to be the effect of enhanced electron scattering caused by the decreased interlayer coupling evidenced by the increase of the c-axis lattice constant after annealing, possibly due to Nb intercalation between layers.

  20. Investigation on improving characteristics of two-cell SBS system with CCl4/C2H5OH liquid mixture

    Institute of Scientific and Technical Information of China (English)

    Hasi Wu-Li-Ji; Lü Li-Qiang; He Wei-Ming

    2007-01-01

    In order to improve the performance of the two-cell stimulated Brillouin scattering(SBS) system,this paper proposes the methods of using mixtures,which require amplifier media to have small absorption rate,and generator media to have high optical breakdown threshold and Brillouin frequency shift equal to that of the amplification media.The characteristics of the two-cell SBS system are studied experimentally by using CCl4 as amplifier medium and CCl4,C2H5OH and CCl4/C2H5OH liquid mixture as generator medium pumped by Nd:YAG Q-switched laser.The obtained results show that liquid mixture in generator cell improves the power load ability,phase conjugation fidelity,energy reflectivity (ER) and ER stability.

  1. Spanning or looping? The order and conformation of bipolar phospholipids in lipid membranes using 2H NMR spectroscopy.

    Science.gov (United States)

    Cuccia, L A; Morin, F; Beck, A; Hébert, N; Just, G; Lennox, R B

    2000-12-01

    Solid-state 2H NMR spectroscopy was used to study and characterize the conformation and order of bolaform lipid membranes. A series of 2H-labeled bolaform phosphatidylcholines has been synthesized and their properties compared to a [D4]dimyristoylphosphatidylcholine (DMPC) and a [D8]-32 macrocyclic phosphatidylcholine. 31P NMR measurements establish that the aqueous dispersions of these lipids adopt lamellar phases. Computational dePakeing was used to extract the spectrum of the oriented system from spectra consisting of a superposition of randomly oriented domains in an unoriented sample. A large (> 90 %) and constant value for the normalized segmental order parameter (Smol) was observed for all positions along the diacyl chain of the bolaform lipids and only a small population ( 90%) of the bolaform lipids is assigned to a highly ordered, spanning conformer.

  2. Phonon instability in the CDW systems 2H-NbSe{sub 2} and TiSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Hott, Roland; Heid, Rolf; Bohnen, Klaus-Peter [Karlsruhe Institute of Technology, Institute of Solid State Physics, P. O. Box. 3640, D-76021 Karlsruhe (Germany); Weber, Frank [Karlsruhe Institute of Technology, Institute of Solid State Physics, P. O. Box. 3640, D-76021 Karlsruhe (Germany); Materials Science Division, Argonne National Laboratory, Argonne, Illinois, 60439 (United States); Rosenkranz, Stephan; Castellan, John-Paul; Osborn, Raymond; Karapetrov, Goran [Materials Science Division, Argonne National Laboratory, Argonne, Illinois, 60439 (United States); Egami, Takeshi [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee, 37996 (United States); Said, Ayman [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois, 60439 (United States); Reznik, Dmitry [Karlsruhe Institute of Technology, Institute of Solid State Physics, P. O. Box. 3640, D-76021 Karlsruhe (Germany); Department of Physics, University of Colorado at Boulder, Boulder, Colorado, 80309 (United States)

    2012-07-01

    Further investigations on the soft-mode behaviour of phonons in the Charge Density Wave (CDW) systems 2H-NbSe{sub 2} and TiSe{sub 2} have been performed both theoretically in Density Functional Theory (DFT) based on ab-initio phonon calculations as well as experimentally by means of high resolution Inelastic X-ray Scattering (IXS). For both materials, the theoretical predictions for the phonon softening coincide with the experimentally observed CDW instability behaviour. For 2H-NbSe{sub 2} the wave vector dependence of the electron-phonon coupling drives the CDW formation and determines its periodicity. For TiSe{sub 2}, electron-phonon-coupling is strong enough to stabilize the structural phase transition at finite temperatures.

  3. Involvement of C2H2 zinc finger proteins in the regulation of epidermal cell fate determination in Arabidopsis

    Institute of Scientific and Technical Information of China (English)

    An Yan; Minjie Wu; Yongqin Zhao; Aidong Zhang; Bohan Liu; John Schiefelbein; Yinbo Gan

    2014-01-01

    Cell fate determination is a basic developmental process during the growth of multicellular organisms. Trichomes and root hairs of Arabidopsis are both readily accessible structures originating from the epidermal cells of the aerial tissues and roots respectively, and they serve as excellent models for understanding the molecular mecha-nisms controlling cell fate determination and cell morphogen-esis. The regulation of trichome and root hair formation is a complex program that consists of the integration of hormonal signals with a large number of transcriptional factors, including MYB and bHLH transcriptional factors. Studies during recent years have uncovered an important role of C2H2 type zinc finger proteins in the regulation of epidermal cell fate determination. Here in this minireview we briefly summarize the involvement of C2H2 zinc finger proteins in the control of trichome and root hair formation in Arabidopsis.

  4. Design of Highly Sensitive C2H5OH Sensors Using Self-Assembled ZnO Nanostructures

    Directory of Open Access Journals (Sweden)

    Jong-Heun Lee

    2011-10-01

    Full Text Available Various ZnO nanostructures such as porous nanorods and two hierarchical structures consisting of porous nanosheets or crystalline nanorods were prepared by the reaction of mixtures of oleic-acid-dissolved ethanol solutions and aqueous dissolved Zn-precursor solutions in the presence of NaOH. All three ZnO nanostructures showed sensitive and selective detection of C2H5OH. In particular, ultra-high responses (Ra/Rg = ~1,200, Ra: resistance in air, Rg: resistance in gas to 100 ppm C2H5OH was attained using porous nanorods and hierarchical structures assembled from porous nanosheets, which is one of the highest values reported in the literature. The gas response and linearity of gas sensors were discussed in relation to the size, surface area, and porosity of the nanostructures.

  5. Competitive inhibition of cytosolic Ca2+-dependent phospholipase A2 by acteoside in RBL-2H3 cells.

    Science.gov (United States)

    Song, Ho Sun; Choi, Mi Young; Ko, Myoung Soo; Jeong, Jae Min; Kim, Yong Ho; Jang, Beom Hyeon; Sung, Ji Hoon; Kim, Min Gyu; Whang, Wan Kyunn; Sim, Sang Soo

    2012-05-01

    The aim of this study was to investigate whether acteoside isolated from Clerodendron trichotomum Thunberg may act as a selective inhibitor of phospholipase A(2) in RBL-2H3 cells. Acteoside dose-dependently inhibited 0.5 μM melittin-induced release of [(3)H]arachidonic acid, which was due to the inhibition of cytosolic Ca(2+)-dependent phospholipase A(2) (cPLA(2)) rather than secretory PLA(2) (sPLA(2)). In Dixon plots, the apparent K ( i ) value of acteoside on cPLA(2) was 5.9 μM and the inhibitory pattern appeared to be a competitive inhibitor. The above data, suggests that acteoside acts as a competitive inhibitor of cPLA(2) in RBL-2H3 cells.

  6. Integration of V2H/V2G Hybrid System for Demand Response in Distribution Network

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yubo; Sheikh, Omar; Hu, Boyang; Chu, Chi-Cheng; Gadh, Rajit

    2014-11-03

    Integration of Electrical Vehicles (EVs) with power grid not only brings new challenges for load management, but also opportunities for distributed storage and generation in distribution network. With the introduction of Vehicle-to-Home (V2H) and Vehicle-to-Grid (V2G), EVs can help stabilize the operation of power grid. This paper proposed and implemented a hybrid V2H/V2G system with commercialized EVs, which is able to support both islanded AC/DC load and the power grid with one single platform. Standard industrial communication protocols are implemented for a seamless respond to remote Demand Respond (DR) signals. Simulation and implementation are carried out to validate the proposed design. Simulation and implementation results showed that the hybrid system is capable of support critical islanded DC/AC load and quickly respond to the remote DR signal for V2G within 1.5kW of power range.

  7. Temperature Dependent Product Yields for the Spin Forbidden Singlet Channel of the C(3P) + C2H2 Reaction

    CERN Document Server

    Hickson, Kevin M; Wakelam, Valentine

    2016-01-01

    The atomic hydrogen formation channels of the C + C2H2 reaction have been investigated using a continuous supersonic flow reactor over the 52 K 296 K temperature range. H-atoms were detected directly at 121.567 nm by vacuum ultraviolet laser induced fluorescence. Absolute H-atom yields were determined by comparison with the H-atom signal generated by the C + C2H4 reaction. The product yields agree with earlier crossed beam experiments employing universal detection methods. Incorporating these branching ratios in a gas-grain model of dense interstellar clouds increases the cC3H abundance. This reaction is a minor source of C3 containing molecules in the present simulations.

  8. Atmospheric pressure plasma jet applications

    Energy Technology Data Exchange (ETDEWEB)

    Park, J.; Herrmann, H.W.; Henins, I.; Selwyn, G.S. [Los Alamos National Lab., NM (United States)

    1998-12-31

    The atmospheric pressure plasma jet (APPJ) is a non-thermal, high pressure plasma discharge that produces a high velocity effluent stream of highly reactive chemical species. The discharge operates on a feedstock gas (e.g., He/O2/H2O) which flows between two concentric cylindrical electrodes: an outer grounded electrode and an inner electrode powered at 13.56 MHz RF. While passing through the plasma, the feedgas becomes excited, ionized or dissociated by electron impact. The fast-flowing effluent consists of ions and electrons, which are rapidly lost by recombination, highly reactive radicals (e.g., O, OH), and metastable species (e.g., O2). The metastable O2, which is reactive to hydrocarbon and other organic species, has been observed through optical emission spectroscopy to decrease by a factor of 2 from the APPJ nozzle exit to a distance of 10 cm. Unreacted metastable O2, and that which does not impinge on a surface, will then decay back to ordinary ground state O2, resulting in a completely dry, environmentally-benign form of surface cleaning. Applications such as removal of photoresist, oxide films and organic residues from wafers for the electronics industry, decontamination of civilian and military areas and personnel exposed to chemical or biological warfare agents, and paint (e.g., graffiti) removal are being considered.

  9. Quasifree Lambda, Sigma^0, and Sigma^- electroproduction from 1,2H, 3,4He, and Carbon

    Energy Technology Data Exchange (ETDEWEB)

    F. Dohrmann; A. Ahmidouch; C.S. Armstrong; J. Arrington; R. Asaturyan; S. Avery; K. Bailey; H. Bitao; H. Breuer; D.S. Brown; R. Carlini; J. Cha; N. Chant; E. Christy; A. Cochran; L. Cole; J. Crowder; S. Danagoulian; M. Elaasar; R. Ent; H. Fenker; Y. Fujii; L. Gan; K. Garrow; D.F. Geesaman; P. Gueye; K. Hafidi; W. Hinton; H. Juengst; C. Keppel; Y. Liang; J.H. Liu; A. Lung; D. Mack; P. Markowitz; J. Mitchell; T. Miyoshi; H. Mkrtchyan; S.K. Mtingwa; B. Mueller; G. Niculescu; I. Niculescu; D. Potterveld; B.A. Raue; P.E. Reimer; J. Reinhold; J. Roche; M. Sarsour; Y. Sato; R.E. Segel; A. Semenov; S. Stepanyan; V. Tadevosyan; S. Tajima; L. Tang; A. Uzzle; S. Wood; H. Yamaguchi; C. Yan; L. Yuan; B. Zeidman; M. Zeier; B. Zihlmann

    2007-07-30

    Kaon electroproduction from light nuclei and hydrogen, using 1H, 2H, 3He, 4He, and Carbon targets has been measured at Jefferson Laboratory. The quasifree angular distributions of Lambda and Sigma hyperons were determined at Q^2= 0.35(GeV/c)^2 and W= 1.91GeV. Electroproduction on hydrogen was measured at the same kinematics for reference.

  10. Volumetric Properties of the Mixture Trichloromethane CHCl3 + C2H6S 2-Thiapropane (VMSD1211, LB3233_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Trichloromethane CHCl3 + C2H6S 2-Thiapropane (VMSD1211, LB3233_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  11. Volumetric Properties of the Mixture Trichloromethane CHCl3 + C2H6OS Dimethyl sulfoxide (VMSD1211, LB3256_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Trichloromethane CHCl3 + C2H6OS Dimethyl sulfoxide (VMSD1211, LB3256_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  12. Volumetric Properties of the Mixture Trichloromethane CHCl3 + C2H3N Ethanenitrile (VMSD1212, LB4352_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Trichloromethane CHCl3 + C2H3N Ethanenitrile (VMSD1212, LB4352_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  13. Association of in vitro fertilization with global and IGF2/H19 methylation variation in newborn twins.

    Science.gov (United States)

    Loke, Y J; Galati, J C; Saffery, R; Craig, J M

    2015-04-01

    In vitro fertilization (IVF) and its subset intracytoplasmic sperm injection (ICSI), are widely used medical treatments for conception. There has been controversy over whether IVF is associated with adverse short- and long-term health outcomes of offspring. As with other prenatal factors, epigenetic change is thought to be a molecular mediator of any in utero programming effects. Most studies focused on DNA methylation at gene-specific and genomic level, with only a few on associations between DNA methylation and IVF. Using buccal epithelium from 208 twin pairs from the Peri/Postnatal Epigenetic Twin Study (PETS), we investigated associations between IVF and DNA methylation on a global level, using the proxies of Alu and LINE-1 interspersed repeats in addition to two locus-specific regulatory regions within IGF2/H19, controlling for 13 potentially confounding factors. Using multiple correction testing, we found strong evidence that IVF-conceived twins have lower DNA methylation in Alu, and weak evidence of lower methylation in one of the two IGF2/H19 regulatory regions and LINE-1, compared with naturally conceived twins. Weak evidence of a relationship between ICSI and DNA methylation within IGF2/H19 regulatory region was found, suggesting that one or more of the processes associated with IVF/ICSI may contribute to these methylation differences. Lower within- and between-pair DNA methylation variation was also found in IVF-conceived twins for LINE-1, Alu and one IGF2/H19 regulatory region. Although larger sample sizes are needed, our results provide additional insight to the possible influence of IVF and ICSI on DNA methylation. To our knowledge, this is the largest study to date investigating the association of IVF and DNA methylation.

  14. The UCCSD(T)/CBS Description of the C2h Symmetric, Negatively Charged Dimer of SF2

    Science.gov (United States)

    Czernek, Jiří

    2007-12-01

    A highly accurate potential energy curve of the C2h symmetric, negatively charged dimer of SF2 was obtained by estimating the complete basis set limits of the UCCSD(T) energies at the intermonomer separations ranging from 2.15 to 7.75 Å. The results serve as a benchmark for assessing the quality of methods describing the energetics of open-shell species. Thus, a remarkably good performance of the UMP2 method was observed.

  15. A novel synthesis of 2-aryl-2H-indazoles via a palladium-catalyzed intramolecular amination reaction.

    Science.gov (United States)

    Song, J J; Yee, N K

    2000-02-24

    [reaction: see text] A variety of 2-aryl-2H-indazoles were synthesized by the palladium-catalyzed intramolecular amination of the corresponding N-aryl-N(o-bromobenzyl)hydrazines. Of several sets of reaction conditions surveyed, the combination of Pd(OAc)2/dppf/tBuONa gave the best results. This method applies to a wide scope of substrates containing electron-donating and electron-withdrawing substituents.

  16. I2-Mediated 2H-indazole synthesis via halogen-bond-assisted benzyl C-H functionalization.

    Science.gov (United States)

    Yi, Xiangli; Jiao, Lei; Xi, Chanjuan

    2016-10-18

    I2-Mediated benzyl C-H functionalization has been developed for the synthesis of 2H-indazoles, which features high efficiency, simple conditions and no need for metals. Mechanistic experiments and DFT calculations have revealed halogen bond assistance and a radical chain process for this reaction. The azo group and the bound iodine cooperate in the hydrogen abstraction step, which circumvents the thermodynamic disfavor of direct hydrogen abstraction by a simple iodine radical.

  17. Radical-controlled Oscillations in BrO3--fructose-Mn2+-H2SO4 System

    Institute of Scientific and Technical Information of China (English)

    He Xing LI; Chun Hua GE

    2005-01-01

    Sustained oscillations were observed in the BrO3--fructose-Mn2+-H2SO4 system.Unlike the classical BZ oscillations, the present oscillations might be considered as radicalcontrolled rather than bromide-controlled since no substance subjected to bromination was present.Addition of acetone induced dual-frequency oscillations comprised of both the radical-controlled and the bromide-controlled oscillations.

  18. Tensor analyzing powers T20(θ) and T22(θ) in the 2H(darrow,γ) 4He reaction

    Science.gov (United States)

    Seyler, R. G.; Weller, H. R.

    1985-05-01

    Reaction theory expressions are used to prove that the tensor analyzing powers T20(θ) and T22(θ) for the 2H(darrow,γ) 4He reaction are isotropic if the reaction is pure E2 and terms quadratic in channel-spin-2 matrix elements are neglected. Experimental departures from isotropy can be expected near θ-0°, 90°, and 189°.

  19. Photodetectors and birefringence in ZnP{sub 2}–S{sub 2h}{sup 5} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Stamov, I.G. [Tiraspol State Corporative University, Yablocicin Street 5, 2069 Tiraspol, Republic of Moldova (Moldova, Republic of); Syrbu, N.N., E-mail: sirbunn@yahoo.com [Technical University of Moldova, 168 Stefan cel Mare Avenue, 2004 Chisinau, Republic of Moldova (Moldova, Republic of); Dorogan, A.V. [Technical University of Moldova, 168 Stefan cel Mare Avenue, 2004 Chisinau, Republic of Moldova (Moldova, Republic of)

    2013-03-01

    The spectral dependences of refractive indexes n{sub o}(n{sup ⊥}), n{sub e}(n{sup ||}) and Δn=n{sub o}(n{sup ⊥})−n{sub e}(n{sup ||}) were studied in ZnP{sub 2}–C{sub 2h}{sup 5} crystals. The intersection of n{sub o}(n{sup ⊥}) and n{sub e}(n{sup ||}) was found for λ{sub 0}=0.906 μm. The crystal possesses positive dispersion Δn=n{sub o}(n{sup ⊥})−n{sub e}(n{sup ||}) in the region where λ>λ{sub 0}, and a negative dispersion is observed in the region where λ<λ{sub 0}. The electrical, spectral and azimuth characteristics of monolith n–r- and Me-n–r-ZnP{sub 2}C{sub 2h}{sup 5} and discrete ZnP{sub 2}–C{sub 2h}{sup 5–}ZnP{sub 2}–D{sub 4}{sup 8} structures were studied, and a prognosis was made on the usage perspective of these devices.

  20. Reactivity Impact of 2H and 16O Elastic Scattering Nuclear Data on Critical Systems with Heavy Water

    Science.gov (United States)

    Roubtsov, D.; Kozier, K. S.; Chow, J. C.; Plompen, A. J. M.; Kopecky, S.; Svenne, J. P.; Canton, L.

    2014-04-01

    The accuracy of deuterium nuclear data is important for reactor physics simulations of heavy water (D2O) reactors. The elastic neutron scattering cross section data at thermal energies, σs,th, have been observed to have noticeable impact on the reactivity values in simulations of critical systems involving D2O. We discuss how the uncertainties in the thermal scattering cross sections of 2H(n,n)2H and 16O(n,n)16O propagate to the uncertainty of the calculated neutron multiplication factor, keff, in thermal critical assemblies with heavy water neutron moderator/reflector. The method of trial evaluated nuclear data files, in which specific cross sections are individually perturbed, is used to calculate the sensitivity coefficients of keff to the microscopic nuclear data, such as σs(E) characterized by σs,th. Large reactivity differences of up to ≃ 5-10 mk (500-1000 pcm) were observed using 2H and 16O data files with different elastic scattering data in MCNP5 simulations of the LANL HEU heavy-water solution thermal critical experiments included in the ICSBEP handbook.

  1. Synthesis of novel 1,2,3-triazole/isoxazole functionalized 2H-Chromene derivatives and their cytotoxic activity.

    Science.gov (United States)

    Ratnakar Reddy, K; Sambasiva Rao, P; Jitender Dev, G; Poornachandra, Y; Ganesh Kumar, C; Shanthan Rao, P; Narsaiah, B

    2014-04-01

    A series of novel 2-(1,2,3-triazolylmethoxy) 5a-q and isoxazole tagged 6a-g 2H-Chromene derivatives were prepared starting from salicylaldehyde and ethyl-4,4,4-trifluoroacetoacetate via cyclization to form ethyl 2-hydroxy-2-(trifluoromethyl)-2H-Chromene-3-carboxylate 3. Compound 3 on reaction with propargyl bromide resulted compound 4 and was independently reacted with aryl/alkyl azides and aryl aldoximes obtained 2-(1,2,3-triazolylmethoxy) and isoxazole tagged 2H-Chromene derivatives 5a-q, 6a-i, respectively. Compounds 6 were further hydrolysed to acid derivatives 7a-g. All the products 5a-q, 6a-i, 7a-g were screened for cytotoxic activity against four human cancer cell lines and among all the compounds, 5f, 5g, 5l, 5q showed promising activity at <20 μM concentration. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. Voluntary Running Triggers VGF-Mediated Oligodendrogenesis to Prolong the Lifespan of Snf2h-Null Ataxic Mice

    Directory of Open Access Journals (Sweden)

    Matías Alvarez-Saavedra

    2016-10-01

    Full Text Available Exercise has been argued to enhance cognitive function and slow progressive neurodegenerative disease. Although exercise promotes neurogenesis, oligodendrogenesis and adaptive myelination are also significant contributors to brain repair and brain health. Nonetheless, the molecular details underlying these effects remain poorly understood. Conditional ablation of the Snf2h gene impairs cerebellar development producing mice with poor motor function, progressive ataxia, and death between postnatal days 25–45. Here, we show that voluntary running induced an endogenous brain repair mechanism that resulted in a striking increase in hindbrain myelination and the long-term survival of Snf2h cKO mice. Further experiments identified the VGF growth factor as a major driver underlying this effect. VGF neuropeptides promote oligodendrogenesis in vitro, whereas Snf2h cKO mice treated with full-length VGF-encoding adenoviruses removed the requirement of exercise for survival. Together, these results suggest that VGF delivery could represent a therapeutic strategy for cerebellar ataxia and other pathologies of the CNS.

  3. H{sub 2}/H{infinity} control of flexible structures through linear matrix inequalities with pole placement

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Jean C. [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil)

    2009-07-01

    The objective of this work is to apply the H2/H{infinity} control technique using linear matrix inequalities and pole placement constraints to the flexible structures control problem. The H2/H{infinity}control is a technique to design a controller with mixed features of the H2 and H{infinity} control formulations, such as, optimal dynamical performance and robust performance. The Linear Matrix Inequalities allow formulating the problem as a convex optimization problem, and additional constraints can be included such as the pole placement. The pole placement requirement comes from the necessity of adjusting the transient response of the plant and ensuring a specific behavior in terms of speed and damping responses. The mathematical model used for this study is related to a flexible beam, with an applied disturbance and an actuator in different positions. The state-space matrices of the structure were obtained using the finite element method with the Euler-Bernoulli formulation of beams. The results showed that the pole placement constraints can improve the performance of the controller H2/H{infinity}. The Matlab was used for the computational implementation. (author)

  4. Theoretical study on structures and infrared spectroscopy of Cu2+(H2O)Ar n ( n = 1-4)

    Science.gov (United States)

    Song, Xiudan; Li, Shuxia; Jiang, Zishi; Zhang, Yongzhi

    2017-09-01

    The binding energy of Cu2+(H2O) is computed to be 98.4 kcal/mol and thus one-photon photodissociation is not possible in the 3400-3800 cm-1 (9.7-10.9 kcal/mol) region. To study whether the infrared photodissociation processes of Cu2+(H2O) can occur by multiple argon atoms tagging technique, density functional and CCSD(T) methods are used to investigate the geometries, OH stretching frequencies and the argon atom binding energies of Cu2+(H2O)Ar n ( n = 1-4) complexes. Various isomers are found resulting from the different coordination sites of argon atoms. The OH stretches in these complexes are shifted to lower frequencies than those of the free water molecule, and the corresponding vibrational red shifts are progressively smaller as more argon atom is added to Cu2+ while binding an argon atom to an OH site should lead to additional sizable red shift to the OH stretching vibrations.

  5. Laser photoacoustic trace detection of C2H4 revealing adverse environmental effects of atmospheric pollution on plant material

    Science.gov (United States)

    Harren, Frans J. M.; Petruzzelli, Luciana

    1993-03-01

    The photoacoustic detection method for trace gases in the atmosphere is well developed towards very low limits of detection, in the last years. Due to the combination of a sensitive photoacoustic cell placed intracavity in an infrared CO2 laser we were able to detect C2H4 at ultralow (hormone which seems to play an important role throughout all the life stages of a plant, including seed germination. In addition, various types of stress have been reported to promote ethylene production from different plant tissues. As part of our ongoing research on the role of ethylene in seed germination, we have compared our laser photoacoustic set-up to a gaschromatograph for measuring C2H4 produced by germinating Pisum sativum L. seeds within the first days of imbibition. C2H4 evolution by intact seeds shows a maximum at about 25 hours of germination. Thereafter, the rate of ethylene measured by gaschromatograph continues to decrease while that measured by the laser-driven photoacoustic system shows further increases. Most of the ethylene produced by seeds is found in isolated embryonic axes. The fumigation with ozone affects the growth of seedlings and their ethylene evolution.

  6. Measurement of the 2H(d ,p ) 3H reaction at astrophysical energies via the Trojan-horse method

    Science.gov (United States)

    Li, Chengbo; Wen, Qungang; Fu, Yuanyong; Zhou, Jing; Zhou, Shuhua; Meng, Qiuying; Spitaleri, C.; Tumino, A.; Pizzone, R. G.; Lamia, L.

    2015-08-01

    The study of the 2H(d ,p ) 3H reaction is very important for the nucleosynthesis in both the standard Big Bang and stellar evolution, as well as for the future fusion reactor's planning of energy production. The 2H(d ,p ) 3H bare nucleus astrophysical S (E ) factor has been measured indirectly at energies from about 400 keV down to several keV by means of the Trojan-horse method applied to the quasifree process 2H(6Li ,p t ) 4He induced at a lithium beam energy of 9.5 MeV, which is closer to the zero-quasifree-energy point. An accurate analysis leads to the determination of the Sbare(0 ) =56.7 ±2.0 keV b and of the corresponding electron screening potential Ue=13.2 ±4.3 eV. In addition, this work gives an updated test for the Trojan-horse nucleus invariance by comparing with previous indirect investigations using the 3He=(d +p ) breakup.

  7. Determination of δ2H and δ18O in mineral water based on Cavity Ring-Down Spectrometry

    Science.gov (United States)

    Tonietto, G.; Godoy, J.; Godoy, M. L.

    2013-12-01

    Stable isotopes of water are proven indicators, tracers and recorders of processes that affect the hydrologic cycle. Measurements of the stable isotope ratios (δ2H, δ18O and δ17O) of both liquid water and water vapor are widely used in hydrology, atmospheric sciences, and biogeochemistry to determine the migration of water through an ecosystem. Application of the method to Brazilian bottled mineral water has shown that it is possible to trace the origin of the water to at least the state level within Brazilian geographical regions. National and regional meteoric water lines were constructed with substantial differences between geographical regions, in particular for the central region of the country, with a slope coefficient of approximately seven and no deuterium excess. The repeatability, reproducibility and accuracy of the direct measurement of δ2H and δ18O isotopes in water samples were evaluated using Cavity Ring-Down Spectrometry, and values comparable with the Isotopic Ratio Mass Spectrometry were obtained. Memory effect correction was negligible after five successive injections, and the time for each sample analysis was approximately 7 minutes. The new high throughput method measures isotopologues of water with a typical precision of better than 0.15‰ for δ18O and better than 0.6‰ for δ2H.

  8. Highly strained 2,3-bridged 2H-azirines at the borderline of closed-shell molecules.

    Science.gov (United States)

    Banert, Klaus; Meier, Barbara; Penk, Enrico; Saha, Biswajit; Würthwein, Ernst-Ulrich; Grimme, Stefan; Rüffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich

    2011-01-24

    Substituted 1-azidocyclopentenes and 1-azidocyclohexenes were photolyzed to generate 2,3-bridged 2H-azirines. In the case of bridgehead azirines with a six-membered carbocycle, detection by NMR spectroscopic analysis was possible, whereas even kinetically stabilized bridgehead azirines with a five-membered ring could not be characterized by low-temperature NMR spectroscopic analysis. Thus, a recent report on the latter heterocycles was corrected. Depending on the substitution pattern, irradiation of 1-azidocyclopentenes either led to products that can be explained on the basis of short-lived 2,3-bridged 2H-azirines, or gave secondary products generated from triplet nitrenes. The diverse photoreactivity of 2,3-bridged 2H-azirines was also studied by quantum chemical methods (DFT, CCSD(T), CASSCF(6,6)) with respect to the singlet and triplet energy surfaces. The ring-opening processes leading to the corresponding vinyl nitrenes were identified as key steps for the observed reactivity. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. SIRT6 recruits SNF2H to sites of DNA breaks, preventing genomic instability through chromatin remodeling

    Science.gov (United States)

    Toiber, Debra; Erdel, Fabian; Bouazoune, Karim; Silberman, Dafne M.; Zhong, Lei; Mulligan, Peter; Sebastian, Carlos; Cosentino, Claudia; Martinez-Pastor, Barbara; Giacosa, Sofia; D’Urso, Agustina; Näär, Anders M.; Kingston, Robert; Rippe, Karsten; Mostoslavsky, Raul

    2013-01-01

    Summary DNA damage is linked to multiple human diseases, such as cancer, neurodegeneration and senescence. Little is known about the role of chromatin accessibility in DNA repair. Here, we find that the histone deacetylase SIRT6 is one of the earliest factors recruited to sites of Double-Strand Breaks (DSBs). SIRT6 recruits the ISWI-chromatin remodeler SNF2H to DSBs, and deacetylates focally histone H3K56. Lack of SIRT6 and SNF2H impairs chromatin remodeling, increasing sensitivity to genotoxic damage and recruitment of downstream factors, such as 53BP1, BRCA1 and RPA. Remarkably, SIRT6 deficient mice exhibit lower levels of chromatin-associated SNF2H in specific tissues, a phenotype accompanied by increased DNA damage. We demonstrate that SIRT6 is critical for recruitment of a chromatin remodeler as an early step in the DNA damage response, indicating that proper unfolding of chromatin plays a rate-limiting role. We present a novel crosstalk between a histone modifier and a chromatin remodeler, regulating a coordinated response to prevent DNA damage. PMID:23911928

  10. CO2/H2O adsorption equilibrium and rates on metal-organic frameworks: HKUST-1 and Ni/DOBDC.

    Science.gov (United States)

    Liu, Jian; Wang, Yu; Benin, Annabelle I; Jakubczak, Paulina; Willis, Richard R; LeVan, M Douglas

    2010-09-07

    Metal-organic frameworks (MOFs) have recently attracted intense research interest because of their permanent porous structures, huge surface areas, and potential applications as novel adsorbents and catalysts. In order to provide a basis for consideration of MOFs for removal of carbon dioxide from gases containing water vapor, such as flue gas, we have studied adsorption equilibrium of CO(2), H(2)O vapor, and their mixtures and also rates of CO(2) adsorption in two MOFs: HKUST-1 (CuBTC) and Ni/DOBDC (CPO-27-Ni or Ni/MOF-74). The MOFs were synthesized via solvothermal methods, and the as-synthesized products were solvent exchanged and regenerated before experiments. Pure component adsorption equilibria and CO(2)/H(2)O binary adsorption equilibria were studied using a volumetric system. The effects of H(2)O adsorption on CO(2) adsorption for both MOF samples were determined, and the results for 5A and NaX zeolites were included for comparison. The hydrothermal stabilities for the two MOFs over the course of repetitive measurements of H(2)O and CO(2)/H(2)O mixture equilibria were also studied. CO(2) adsorption rates from helium for the MOF samples were investigated by using a unique concentration-swing frequency response (CSFR) system. Mass transfer into the MOFs is rapid with the controlling resistance found to be macropore diffusion, and rate parameters were established for the mechanism.

  11. Oxidative degradation of dyes in water using Co2+/H2O2 and Co2+/peroxymonosulfate.

    Science.gov (United States)

    Ling, Sie King; Wang, Shaobin; Peng, Yuelian

    2010-06-15

    Dye degradation using advanced oxidation processes with Co(2+)/H(2)O(2) and Co(2+)/peroxymonosulfate (PMS) systems has been investigated. Two types of dyes, basic blue 9 and acid red 183, were employed. Several parameters affecting dye degradation such as Co(2+), PMS, H(2)O(2), and dye concentrations were investigated. The optimal ratio of oxidant (PMS, H(2)O(2))/Co(2+) for the degradation of two dyes was determined. It is found that dye decomposition is much faster in Co(2+)/PMS system than in Co(2+)/H(2)O(2). For Co(2+)/H(2)O(2), an optimal ratio of H(2)O(2) to Co(2+) at 6 is required for the maximum decomposition of the dyes. For Co(2+)/PMS, higher concentrations of Co(2+) and PMS will increase dye degradation rate with an optimal ratio of 3, achieving 95% decolourisation. For basic blue 9, a complete decolourisation can be achieved in 5 min at 0.13 mM Co(2+), 0.40 mM PMS and 7 mg/l basic blue 9 while the complete degradation of acid red 183 will be achieved at 30 min at 0.13 mM Co(2+), 0.40 mM PMS and 160 mg/l of acid red 183. The degradation of acid red 183 follows the second-order kinetics. Copyright 2010 Elsevier B.V. All rights reserved.

  12. Measurements of hydrogen cyanide (HCN and acetylene (C2H2 from the Infrared Atmospheric Sounding Interferometer (IASI

    Directory of Open Access Journals (Sweden)

    V. Duflot

    2013-04-01

    Full Text Available Hydrogen cyanide (HCN and acetylene (C2H2 are ubiquitous atmospheric trace gases with medium lifetime, which are frequently used as indicators of combustion sources and as tracers for atmospheric transport and chemistry. Because of their weak infrared absorption, overlapped by the CO2 Q branch near 720 cm−1, nadir sounders have up to now failed to measure these gases routinely. Taking into account CO2 line mixing, we provide for the first time extensive measurements of HCN and C2H2 total columns at Reunion Island (21° S, 55° E and Jungfraujoch (46° N, 8° E in 2009–2010 using observations from the Infrared Atmospheric Sounding Interferometer (IASI. A first order comparison with local ground-based Fourier transform infraRed (FTIR measurements has been carried out allowing tests of seasonal consistency which is reasonably captured, except for HCN at Jungfraujoch. The IASI data shows a greater tendency to high C2H2 values. We also examine a nonspecific biomass burning plume over austral Africa and show that the emission ratios with respect to CO agree with previously reported values.

  13. Hydrothermal synthesis and structural characterization of an organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en){sub 2}(H{sub 2}O)]{sub 4}[Cu(en){sub 2}(H{sub 2}O){sub 2}][Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]·6H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yingjie [Institute of Molecular and Crystal Engineering, Henan Key Lab of Polyoxometalate Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); College of Medicine, Henan University, Kaifeng, Henan 475004 (China); Cao, Jing; Wang, Yujie; Li, Yanzhou [Institute of Molecular and Crystal Engineering, Henan Key Lab of Polyoxometalate Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Zhao, Junwei, E-mail: zhaojunwei@henu.edu.cn [Institute of Molecular and Crystal Engineering, Henan Key Lab of Polyoxometalate Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Chen, Lijuan, E-mail: ljchen@henu.edu.cn [Institute of Molecular and Crystal Engineering, Henan Key Lab of Polyoxometalate Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Ma, Pengtao; Niu, Jingyang [Institute of Molecular and Crystal Engineering, Henan Key Lab of Polyoxometalate Chemistry, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

    2014-01-15

    An organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en){sub 2}(H{sub 2}O)]{sub 4}[Cu(en){sub 2}(H{sub 2}O){sub 2}][Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]·6H{sub 2}O (1) has been synthesized by reaction of Sb{sub 2}O{sub 3}, Na{sub 2}WO{sub 4}·2H{sub 2}O, CuCl{sub 2}·2H{sub 2}O with en (en=ethanediamine) under hydrothermal conditions and structurally characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry, IR spectrum and single-crystal X-ray diffraction. 1 displays a centric dimeric structure formed by two equivalent trivacant Keggin [α-SbW{sub 9}O{sub 33}]{sup 9−} subunits sandwiching a hexagonal (Cu{sub 2}Na{sub 4}) cluster. Moreover, those related hexagonal hexa-metal cluster sandwiched tungstoantimonates have been also summarized and compared. The variable-temperature magnetic measurements of 1 exhibit the weak ferromagnetic exchange interactions within the hexagonal (Cu{sub 2}Na{sub 4}) cluster mediated by the oxygen bridges. - Graphical abstract: An organic–inorganic hybrid (Cu{sub 2}Na{sub 4}) sandwiched tungstoantimonate [Cu(en){sub 2}(H{sub 2}O)]{sub 4}[Cu (en){sub 2}(H{sub 2}O){sub 2}][Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]·6H{sub 2}O was synthesized and magnetic properties was investigated. Display Omitted - Highlights: • Organic–inorganic hybrid sandwich-type tungstoantimonate. • (Cu{sub 2}Na{sub 4} sandwiched) tungstoantimonate [Cu{sub 2}Na{sub 4}(α-SbW{sub 9}O{sub 33}){sub 2}]{sup 10−}. • Ferromagnetic tungstoantimonate.

  14. Modeling and Simulation of Plasma-Assisted Ignition and Combustion

    Science.gov (United States)

    2013-10-01

    GRI Mech 3.0 has been validated extensively in 1000-2500 K and 25 torr to 10 atm range. • USC Mech has been validated in 900-2500 K and 16 torr to...64 species) GRI Mech 3.0 CH4/N2/O2 plasma NOX reactions C2H4-air (70 species) USC Mech C2H4/N2/O2 plasma NOX reactions Pi = 100 torr...3 -15 kV peak voltage 7 ns FWHM Mdot : 0.00377 kg/m2-s GRI Mech 3.0 + CH4/N2/O2/CO/CO2 plasma + NOX chemistry CH4-air validation of flame

  15. Climatic interpretation of tree-ring methoxyl d2H time-series from a central alpine larch forest

    Science.gov (United States)

    Riechelmann, Dana F. C.; Greule, Markus; Siegwolf, Rolf T. W.; Esper, Jan; Keppler, Frank

    2017-04-01

    We measured stable hydrogen isotope ratios of lignin methoxyl groups (d2HLM) in high elevation larch trees (Larix decidua Mill.) from the Simplon Valley in southern Switzerland. Thirty-seven larch trees were sampled and five individuals analysed for their d2HLM values at annual (1971-2009) and pentadal resolution (1746-2009). Testing the climate response of the d2HLM series, the annually resolved series show a positive correlation of r = 0.60 with June/July precipitation and weaker but negative correlation with June/July temperature. In addition, a negative correlation with June-August d2H in precipitation of the nearby GNIP station in Locarno is observed. The pentadally resolved d2HLM series show no significant correlation to climate parameters. The positive correlation of the annually resolved data to summer precipitation is uncommon to d2H measurements from tree-rings (Feakins et al., 2013; Helle and Schleser, 2004; McCarroll and Loader, 2004; Mischel et al., 2015; White et al., 1994). However, we explain the positive association with warm season hydroclimate as follows: methoxyl groups of lignin are directly formed from tissues in the xylem water. More precipitation during June and July, which are on average relatively dry month, results in higher d2H values of the xylem water and therefore, higher d2H value in the lignin methoxyl groups. Therefore, we suggest that d2HLM values of high elevation larch trees might likely serve as a summer precipitation proxy. References: Feakins, S.J., Ellsworth, P.V., Sternberg, L.d.S.L., 2013. Lignin methoxyl hydrogen isotope rations in a coastal ecosystem. Geochimica et Cosmochimica Acta, 121: 54-66. Helle, G., Schleser, G.H., 2004. Interpreting Climate Proxies from Tree-rings. In: Fischer, H., Floeser, G., Kumke, T., Lohmann, G., Miller, H., Negendank, J.F.W., et al., editors. The Climate in Historical Times. Springer Berlin Heidelberg, pp. 129-148. McCarroll, D., Loader, N.J., 2004. Stable isotopes in tree rings. Quaternary

  16. Wall mode stabilization at slow plasma rotation

    Science.gov (United States)

    Hu, Bo; Betti, Riccardo; Reimerdes, Holger; Garofalo, Andrea; Manickam, Janardhan

    2007-11-01

    Unstable pressure-driven external kink modes, which become slowly growing resistive wall modes (RWMs) in the presence of a resistive wall, can lead to tokamak plasma disruptions at high beta. It has been shown that RWMs are stabilized by fast plasma rotation (about 1-2% of the Alfv'en frequency) in experiments. Conventional theories attribute the RWM suppression to the dissipation induced by the resonances between plasma rotation and ion bounce/transit or shear Alfv'en frequencies [1]. In those theories, the kinetic effects associated with the plasma diamagnetic frequencies and trapped-particle precession drift frequencies are neglected. It has been observed in recent experiments [2,3] that the RWM suppression also occurs at very slow plasma rotation (about 0.3% of the Alfv'en frequency), where the conventional dissipation is too small to fully suppress the RWMs. Here it is shown, that the trapped-particle kinetic contribution associated with the precession motion [4] is large enough to stabilize the RWM in DIII-D at low rotation. Work supported by the US-DoE OFES. [1] A. Bondeson and M. S. Chu, Physics of Plasmas, 3,3013 (1996). [2] H. Reimerdes et al., Physical Review Letters, 98,055001 (2007). [3] M. Takechi et al., Physical Review Letters, 98,055002 (2007). [4] B. Hu and R. Betti, Physical Review Letters, 93,105002 (2004).

  17. Plasma spot welding of ferritic stainless steels

    Directory of Open Access Journals (Sweden)

    Lešnjak, A.

    2002-06-01

    Full Text Available Plasma spot welding of ferritic stainless steels is studied. The study was focused on welding parameters, plasma and shielding gases and the optimum welding equipment. Plasma-spot welded overlap joints on a 0.8 mm thick ferritic stainless steel sheet were subjected to a visual examination and mechanical testing in terms of tension-shear strength. Several macro specimens were prepared. Plasma spot welding is suitable to use the same gas as shielding gas and as plasma gas, i.e., a 98 % Ar/2 % H 2 gas mixture. Tension-shear strength of plasma-spot welded joints was compared to that of resistance-spot welded joints. It was found that the resistance welded joints withstand a somewhat stronger load than the plasma welded joints due to a larger weld spot diameter of the former. Strength of both types of welded joints is approximately the same.

    El artículo describe el proceso de soldeo de aceros inoxidables ferríticos por puntos con plasma. La investigación se centró en el establecimiento de los parámetros óptimos de la soldadura, la definición del gas de plasma y de protección más adecuado, así como del equipo óptimo para la realización de la soldadura. Las uniones de láminas de aceros inoxidables ferríticos de 0,8 mm de espesor, soldadas a solape por puntos con plasma, se inspeccionaron visualmente y se ensayaron mecánicamente mediante el ensayo de cizalladura por tracción. Se realizaron macro pulidos. Los resultados de la investigación demostraron que la solución más adecuada para el soldeo por puntos con plasma es elegir el mismo gas de plasma que de protección. Es decir, una mezcla de 98 % de argón y 2 % de hidrógeno. La resistencia a la cizalladura por tracción de las uniones soldadas por puntos con plasma fue comparada con la resistencia de las uniones soldadas por resistencia por puntos. Se llegó a la conclusión de que las uniones soldadas por resistencia soportan una carga algo mayor que la uniones

  18. Effect of intense laser irradiation on the electronic prop erties of 2H-SiC%强激光照射对2H-SiC晶体电子特性的影响∗

    Institute of Scientific and Technical Information of China (English)

    邓发明

    2015-01-01

    By using first-principles with pseudopotentials method based on the density functional perturbation theory, in this paper we calculate the electronic properties of wurtzite 2H-SiC crystal under the strong laser irradiation and analyze the band structure and the density of state. Calculations are performed by using the ABINIT code in the generalized gradient approximation for the exchange-correlation energy. And the input variable tphysel, which is a variable in the ABINIT code and relates to the laser intensity, is used to define a physical temperature of electrons T e . The size of T e is set to simulate the corresponding electron temperature of the crystal when intensive laser irradiates it in an ultrafast time. The high symmetry points selected in the Brillouin zone are alongΓ-A-H-K-Γ-M-L-H in the energy band calculations. After testing, we can always obtain a good convergence of the total energy when choosing a 20 Hartree cut-off energy and a 4 × 4 × 2 k-points grid. Then, optimizing the structure, and the structural parameters and the corresponding electronic properties of 2H-SiC in the different electron-temperature conditions are studied using the optimized equilibrium lattice constant. The calculation results indicate that the equilibrium lattice parameters a and c of 2H-SiC gradually increase as the electronic temperature T e goes up. With the electronic temperature going up, the top of valence band is still atΓ, while the bottom of conduction band shifts from the K point with increasing electronic temperature, resulting in the fact that 2H-SiC is still an indirect band-gap semiconductor in a range of 0–2.25 eV and when the electronic temperature reaches 2.25 eV and even more than 2.5 eV, the crystal turns into a direct band-gap semiconductor. With T e rising constantly, the bottom of the conduction band and the top of valence band both move in the direction of high energy or low energy. When T e exceeds 3.5 eV, the top of valence band crosses the

  19. The first 3D malonate bridged copper [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: Structure, properties and electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Seguatni, A., E-mail: seguatni@gmail.com [LBPC-INSERM U 698, Institut Galilee, Universite Paris XIII, 99, avenue J. B. Clement 93430, Villetaneuse (France); Fakhfakh, M. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada); Smiri, L.S. [Unite de recherche UR 12-30, Synthese et Structure de Materiaux Inorganiques, Faculte des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Gressier, P.; Boucher, F. [Institut des Materiaux Jean Rouxel, Universite de Nantes, CNRS, 2 rue de la Houssiniere, BP 32229, 44322 Nantes Cedex 3 (France); Jouini, N. [Departement de Chimie, Universite du Quebec a Montreal, C.P. 8888, Succ. Centre-ville, Montreal, Que., H3C 3P8 (Canada)

    2012-03-15

    A new inorganic-organic compound [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)-malonic acid-H{sub 2}O. Its framework is built up through carboxyl bridged copper where CuO{sub 6} octahedra are elongated with an almost D{sub 4h} symmetry (4+2) due to the Jahn-Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2-300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a U{sub eff} value of about 6 eV is necessary for a better correlation with the experiment. - Graphical abstract: [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: the first 3D hybrid organic-inorganic compound built up carboxyl groups. The network presents a diamond-like structure achieved via carboxyl. Highlights: Black-Right-Pointing-Pointer A new organic-inorganic material with an unprecedented topology is synthesized. Black-Right-Pointing-Pointer Crystallographic structure is determined using single crystal X-ray diffraction. Black-Right-Pointing-Pointer Electronic structure is obtained from DFT, GGA+U calculation. Black-Right-Pointing-Pointer Framework can be described as formed from CuC{sub 4} tetrahedron sharing four corners. Black-Right-Pointing-Pointer This structure can be classified as an extended diamond structure.

  20. Optically active 6-acetyloxy-2H-pyran-3(6H)-one obtained by lipase catalyzed transesterification and esterification

    NARCIS (Netherlands)

    van den Heuvel, M.; Cuiper, A.D; van der Deen, H.; Kellogg, R.M; Feringa, B.L.

    1997-01-01

    Kinetic resolution of 6-acetyloxy-2H-pyran-3(6H)-one (1) is achieved by immobilized lipase PS on Hyflo Super Cell in organic solvents. Transesterification in hexane/n-butanol yields enantiomerically pure R-(-)-6-acetyloxy-2H-pyran-3(6H)-one, whereas esterification of 6-hydroxy-2H-pyran-3(6H)-one (2)