WorldWideScience

Sample records for standard cu ft

  1. Spectroscopic (FT-IR, FT-Raman, 1H, 13C NMR, UV/VIS), thermogravimetric and antimicrobial studies of Ca(II), Mn(II), Cu(II), Zn(II) and Cd(II) complexes of ferulic acid

    Science.gov (United States)

    Kalinowska, M.; Piekut, J.; Bruss, A.; Follet, C.; Sienkiewicz-Gromiuk, J.; Świsłocka, R.; Rzączyńska, Z.; Lewandowski, W.

    2014-03-01

    The molecular structure of Mn(II), Cu(II), Zn(II), Cd(II) and Ca(II) ferulates (4-hydroxy-3-methoxycinnamates) was studied. The selected metal ferulates were synthesized. Their composition was established by means of elementary and thermogravimetric analysis. The following spectroscopic methods were used: infrared (FT-IR), Raman (FT-Raman), nuclear magnetic resonance (13C, 1H NMR) and ultraviolet-visible (UV/VIS). On the basis of obtained results the electronic charge distribution in studied metal complexes in comparison with ferulic acid molecule was discussed. The microbiological study of ferulic acid and ferulates toward Escherichia coli, Bacillus subtilis, Candida albicans, Pseudomonas aeruginosa, Staphylococcus aureus and Proteus vulgaris was done.

  2. FT-IR skeletal study of RBa{sub 2}Cu{sub 3}O{sub 7-y} (R = Ln or Y) and Nd{sub 2-x}Ce{sub x}CuO{sub 4} cuprate powders

    Energy Technology Data Exchange (ETDEWEB)

    Daturi, M.; Busca, G. [Universita, P.le Kennedy, Genova (Italy); Magnone, E. [Istituto di Chimica Fisica, Genova (Italy)] [and others

    1995-10-01

    The FT-IR/FT-FIR spectra of powders of Nd{sub 2-x}Ce{sub x}CuO{sub 4} solid solutions (x{le}0.25) and of RBa{sub 2}Cu{sub 3}O{sub 7-y} (y = 0.2-0.3) with R = Y, Pr, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, and Yb, have been recorded at room temperature. A comparison with the published single crystal IR data is made. An empirical assignment of the observed bands is proposed on the basis of the factor group analysis and a discussion of the internal vibrational structure of the CuO{sub x} structures is given.

  3. A new tridentate Schiff base Cu(II) complex: synthesis, experimental and theoretical studies on its crystal structure, FT-IR and UV-Visible spectra.

    Science.gov (United States)

    Saheb, Vahid; Sheikhshoaie, Iran; Setoodeh, Nasim; Rudbari, Hadi Amiri; Bruno, Giuseppe

    2013-06-01

    A new Cu(II) complex [Cu(L)(NCS)] has been synthesized, using 1-(N-salicylideneimino)-2-(N,N-methyl)-aminoethane as tridentate ONN donor Schiff base ligand (HL). The dark green crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FT-IR) and UV-Visible spectra. Electronic structure calculations at the B3LYP and MP2 levels of theory are performed to optimize the molecular geometry and to calculate the UV-Visible and FT-IR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TD-DFT) method is used to calculate the electronic transitions of the complex. A scaling factor of 1.015 is obtained for vibrational frequencies computed at the B3LYP level using basis sets 6-311G(d,p). It is found that solvent has a profound effect on the electronic absorption spectrum. The UV-Visible spectrum of the complex recorded in DMSO and DMF solution can be correctly predicted by a model in which DMSO and DMF molecules are coordinated to the central Cu atom via their oxygen atoms. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. A FT-IRAS study of the vibrational properties of CO adsorbed on Cu/Ru(001). II. The dispersion of copper

    Science.gov (United States)

    Hoffmann, F. M.; Paul, J.

    1987-08-01

    The dispersion of copper adsorbed on a Ru(001) substrate has been investigated by using Fourier transform-infrared reflection absorption spectroscopy (FT-IRAS) and carbon monoxide as a molecular probe. Copper films evaporated at 85 K show a drastically different CO adsorption behavior compared to annealed films and exhibit a variety of adsorption sites. Characteristic C-O stretching frequencies allow us to identify small copper clusters of 1-4 atoms (2138-2123 cm-1), two-dimensional (2120-2110 cm-1) and three-dimensional (2098 cm-1) copper aggregates. After annealing to 250 K copper films at sub- and monolayer coverages form well-ordered small two- and three-dimensional copper aggregates. Formation of the epitaxial monolayer or islands of copper (2082 cm-1) requires a surprizingly mild annealing temperature of 350 K. Further annealing to 540 K results in increasing domain size of the copper islands or annealing of defect sites of the epitaxial monolayer. Multilayer coverages of copper evaporated at 85 K exhibit C-O stretching frequencies found for high-index copper single crystal surfaces, e.g., (211) and (755). This indicates a large number of surface steps and protruding copper atoms associated with rough films. Annealing to 540 K results in a smooth copper layer with preferential (111) orientation (2075 cm-1). The vibrational data presented here for Cu-Ru(001) agree well with previous reports of CO adsorption on copper single crystals, supported or evaporated films, and matrix-isolated clusters. They further allow us to determine the dispersion of supported Cu-Pt and Cu-Ni catalysts from data in the literature.

  5. Fe- and Cu-complex formation with artificial ligands investigated by ultra-high resolution Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS: Implications for natural metal-organic complex studies

    Directory of Open Access Journals (Sweden)

    Hannelore Waska

    2016-07-01

    Full Text Available In recent years, electrospray-ionization mass spectrometry (ESI-MS has been increasingly used to complement the bulk determination of metal-ligand equilibria, for example via competitive ligand exchange-adsorptive cathodic stripping voltammetry (CLE-ACSV. However, ESI-MS speciation analyses may be impacted by instrumental artefacts such as reduction reactions, fragmentation, and adduct formation at the ESI source, changes in the ionization efficiencies of the detected species in relation to sample matrix, and peak overlaps in response to increasing sample complexity. In our study, equilibria of the known artificial ligands citrate, ethylenediaminetetraacetic acid (EDTA, 1-nitroso-2-naphthol (NN, and salicylaldoxime (SA with iron (Fe and copper (Cu were investigated by ultra-high resolution ESI-MS, Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS, under a variety of sample matrix and ionization settings. The acquired mass spectra were compared with metal-ligand equilibrium data from the literature as well as an adapted speciation model. Overall, the mass spectra produced representative species mentioned in previous reports and predicted by the speciation calculations, such as Fe(Cit, Cu(Cit2, Fe(EDTA, Cu(EDTA, Fe(NN3, and Cu(SA2. The analyses furthermore revealed new species which had been hypothesized but not measured directly using other methods, for example ternary complexes of citrate with Fe and Cu, Cu(SA monomers, and the dimer Fe(SA2. Finally, parallel measurements of a Cu+SA calibration series and a Cu+SA+EDTA competition series indicated that FT-ICR-MS can produce linear responses and low detection limits analogous to those of ACSV. We propose that ultra-high resolution FT-ICR-MS can be used as a representative tool to study interactions of trace metals with artificial as well as natural, unknown ligands at the molecular level.

  6. Method development for the analysis of resinous materials with MALDI-FT-ICR-MS: novel internal standards and a new matrix material for negative ion mode.

    Science.gov (United States)

    Teearu, A; Vahur, S; Rodima, T; Herodes, K; Bonrath, W; Netscher, T; Tshepelevitsh, S; Trummal, A; Lõkov, M; Leito, I

    2017-09-01

    Matrix-assisted laser desorption/ionization (MALDI) is a mass spectrometry (MS) ionization technique suitable for a wide variety of sample types including highly complex ones such as natural resinous materials. Coupled with Fourier transform ion cyclotron resonance (FT-ICR) mass analyser, which provides mass spectra with high resolution and accuracy, the method gives a wealth of information about the composition of the sample. One of the key aspects in MALDI-MS is the right choice of matrix compound. We have previously demonstrated that 2,5-dihydroxybenzoic acid is suitable for the positive ion mode analysis of resinous samples. However, 2,5-dihydroxybenzoic acid was found to be unsuitable for the analysis of these samples in the negative ion mode. The second problem addressed was the limited choice of calibration standards offering a flexible selection of m/z values under m/z 1000. This study presents a modified MALDI-FT-ICR-MS method for the analysis of resinous materials, which incorporates a novel matrix compound, 2-aminoacridine for the negative ion mode analysis and extends the selection of internal standards with m/z negative (anions of four fluorine-rich sulpho-compounds) ion mode. The novel internal calibration compounds and matrix material were tested for the analysis of various natural resins and real-life varnish samples taken from cultural heritage objects. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  7. Analysis of molecular structure, spectroscopic properties (FT-IR, micro-Raman and UV-vis) and quantum chemical calculations of free and ligand 2-thiopheneglyoxylic acid in metal halides (Cd, Co, Cu, Ni and Zn).

    Science.gov (United States)

    Gökce, Halil; Bahçeli, Semiha

    2013-12-01

    In this study, molecular geometries, experimental vibrational wavenumbers, electronic properties and quantum chemical calculations of 2-thiopheneglyoxylic acid molecule, (C6H4O3S), and its metal halides (Cd, Co, Cu, Ni and Zn) which are used as pharmacologic agents have been investigated experimentally by FT-IR, micro-Raman and UV-visible spectroscopies and elemental analysis. Meanwhile the vibrational calculations were verified by DFT/B3LYP method with 6-311++G(d,p) and LANL2DZ basis sets in the ground state, for free TPGA molecule and its metal halide complexes, respectively, for the first time. The calculated fundamental vibrational frequencies for the title compounds are in a good agreement with the experimental data. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. The influence of short-term memory on standard discrimination and cued identification olfactory tasks.

    Science.gov (United States)

    Zucco, Gesualdo M; Hummel, Thomas; Tomaiuolo, Francesco; Stevenson, Richard J

    2014-01-30

    Amongst the techniques to assess olfactory functions, discrimination and cued identification are those most prone to the influence of odour short-term memory (STM). Discrimination task requires participants to detect the odd one out of three presented odourants. As re-smelling is not permitted, an un-intended STM load may generate, even though the task purports to assess discrimination ability. Analogously, cued identification task requires participants to smell an odour, and then select a label from three or four alternatives. As the interval between smelling and reading each label increases this too imposes a STM load, even though the task aims to measure identification ability. We tested whether modifying task design to reduce STM load improve performance on these tests. We examined five age-groups of participants (Adolescents, Young adults, Middle-aged, Elderly, very Elderly), some of whom should be more prone to the effects of STM load than others, on standard and modified tests of discrimination and identification. We found that using a technique to reduce STM load improved performance, especially for the very Elderly and Adolescent groups. Sources of error are now prevented. Findings indicate that STM load can adversely affect performance in groups vulnerable from memory impairment (i.e., very Elderly) and in those who may still be acquiring memory-based representations of familiar odours (i.e., Adolescents). It may be that adults in general would be even more sensitive to the effects of olfactory STM load reduction, if the odour-related task was more difficult. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. FT4 and FT3 in euthyroid states with autonomy

    International Nuclear Information System (INIS)

    Emrich, D.; Schoendube, H.; Sehlen, S.; Schreivogel, I.

    1985-01-01

    The results presented here are obtained by the analogue tracer method. Our results indicate that whatever we are measuring with FT 4 and FT 3 in patients with autonomy these parameters behave in nearly the same way as the FT 4 I and TT 3 . There was no clear evidence that FT 4 and FT 3 were more sensitive that FT 4 I and TT 3 . (orig./MG)

  10. Fusion technology (FT)

    International Nuclear Information System (INIS)

    1978-01-01

    The annual report of tha fusion technology (FT) working group discusses the projects carried out by the participating institutes in the fields of 1) fuel injection and plasma heating, 2) magnetic field technology, and 3) systems investigations. (HK) [de

  11. Feasibility of internal standardization in the direct and simultaneous determination of As, Cu and Pb in sugar-cane spirits by graphite furnace atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Caldas, Naise Mary; Ruella Oliveira, Silvana; Anchieta Gomes Neto, Jose

    2009-01-01

    Bismuth and Sb were evaluated as internal standards (IS) to minimize matrix effects on the direct and simultaneous determination of As, Cu, and Pb in cachaca by graphite furnace atomic absorption spectrometry using W-coated platform plus Pd-Mg(NO 3 ) 2 as modifier. For 20 μL injected sample, calibration within the 0.5-10 μg L -1 As, 100-1000 μg L -1 Cu and 0.5-30 μg L -1 Pb intervals were established using the ratios As absorbance to Sb absorbance, Cu absorbance to Bi absorbance and Pb absorbance to Bi absorbance versus analytes concentration, respectively. Typical linear correlations of 0.998, 0.999 and 0.999 were, respectively, obtained. The proposed method was applied for direct determination of As, Cu and Pb in 10 commercial cachaca samples and results were in agreement with those obtained by inductively coupled plasma mass spectrometry at 95% confidence level. The found characteristic masses were 30 pg As, 274 pg Cu and 39 pg Pb. The useful lifetime of the graphite tube was around 760 firings. Recoveries of As, Cu and Pb added to cachaca samples varied, respectively, from 98% to 109%, 97% to 108% and 98% to 104% with internal standards and from 48% to 54%, 53% to 92% and 62% to 97% without internal standards. The limits of detection were 0.13 μg L -1 As, 22 μg L -1 Cu and 0.05 μg L -1 Pb. The relative standard deviations (n = 12) for a spiked sample containing 20 μg L -1 As, Pb and 500 μg L -1 Cu were 1.6%, 1.0%, and 1.8% with IS and 4.3%, 5.2%, and 5.5% without IS

  12. FT-IR, micro-Raman and UV-vis spectroscopic and quantum chemical investigations of free 2,2'-dithiodipyridine and its metal (Co, Cu and Zn) halide complexes.

    Science.gov (United States)

    Gökce, Halil; Bahçeli, Semiha

    2013-10-01

    In this study the elemental analysis results, molecular geometries, vibrational and electronic absorption spectra of free 2,2'-dithiodipyridine(C10H8N2S2), (or DTDP) (with synonym, 2,2'-dipyridyl disulfide) and M(C10H8N2S2)Cl2 (M=Co, Cu and Zn) complexes have been reported. Vibrational wavenumbers of free DTDP and its metal halide complexes have been calculated by using DFT/B3LYP calculation method with 6-31++G(d,p) and Lanl2DZ basis sets, respectively, in the ground state, for the first time. The calculated fundamental vibrational frequencies are in a good agreement with experimental data. The HOMO, LUMO and MEP analyses of all compounds are performed by DFT method. Copyright © 2013. Published by Elsevier B.V.

  13. Homogeneity and accuracy of the second critical field Bc2 of the NIST SRM-1457 standard NbTi/Cu wire

    NARCIS (Netherlands)

    ten Haken, Bernard; Krooshoop, Hendrikus J.G.; ten Kate, Herman H.J.

    1994-01-01

    In the frame work of the VAMAS intercomparison activities the second critical field Bc2 of the standard KIST NbTi/Cu superconductor was investigated in several laboratories in the world. In this paper the specific results obtained in the UT laboratory are reported. On a single piece of wire of 1.5

  14. Determination of Cu, Co and Pb in gasoline by electrothermal atomic absorption spectrometry using aqueous standard addition in gasoline-ethanol-water three-component system

    Energy Technology Data Exchange (ETDEWEB)

    Ozcan, Mustafa [Istanbul Technical University, Science and Letters Faculty, Chemistry Department, 34469 Maslak Istanbul (Turkey)]. E-mail: ozcanm@itu.edu.tr; Akman, Suleyman [Istanbul Technical University, Science and Letters Faculty, Chemistry Department, 34469 Maslak Istanbul (Turkey)

    2005-03-31

    Single phase gasoline-ethanol-water mixture was prepared for performing standardization with aqueous standards and for the elimination of difficulties with pipetting of gasoline. Standard addition calibration method was applied to the determination of Cu, Pb and Co in gasoline by electrothermal atomic absorption spectrometry. Good agreements were found for the analysis results of the present 'direct' method compared with those obtained by digesting gasoline in microwave furnace with nitric acid. The limit of detection values were 1.5 {mu}g kg{sup -1} Co, 2.5 {mu}g kg{sup -1} Cu and 4.0 {mu}g kg{sup -1} Pb in original gasoline samples.

  15. Nonenzymatic glucose sensing by CuO nanoparticles decorated nitrogen-doped graphene aerogel.

    Science.gov (United States)

    Yang, Jing; Tan, Wensheng; Chen, Chuanxiang; Tao, Yongxin; Qin, Yong; Kong, Yong

    2017-09-01

    CuO nanoparticles decorated N-doped graphene aerogel (NGA-CuO) was facilely synthesized via a mild hydrothermal method followed by freeze-drying and calcination, which was characterized by TEM, FT-IR, XPS, XRD and electrochemical impedance spectroscopy (EIS). The obtained NGA-CuO was used for the construction of a nonenzymatic sensing platform for glucose, exhibiting wide linear range, low detection limit, high sensitivity, reproducibility, selectivity and stability. The excellent analytical performances of the NGA-CuO based glucose sensor might be attributed to the synergistic effect of CuO nanoparticles and N-doped graphene aerogel (NGA). The practical applications of the proposed sensor was verified by determining glucose concentrations in five human serum samples, and the obtained results were quite comparable to those measured on the standard clinical instrument. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Noether symmetry approach in f(T, B) teleparallel cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Capozziello, Salvatore [Universita di Napoli ' ' Federico II' ' , Dipartimento di Fisica, Naples (Italy); Gran Sasso Science Institute, L' Aquila (Italy); Compl. Univ. di Monte S. Angelo, Naples (Italy); INFN, Napoli (Italy)

    2017-02-15

    We consider the cosmology derived from f(T, B) gravity where T is the torsion scalar and B = (2)/(e)∂{sub μ}(eT{sup μ}) a boundary term. In particular we discuss how it is possible to recover, under the same standard, the teleparallel f(T) gravity, the curvature f(R) gravity, and the teleparallel-curvature f(R, T) gravity, which are particular cases of f(T, B). We adopt the Noether Symmetry Approach to study the related dynamical systems and to find cosmological solutions. (orig.)

  17. The effect of a fourth element (Co, Cu, Fe, Pd) on the standard enthalpy of formation of the Heusler compound Ni{sub 2}MnSn

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

    2016-05-15

    The standard enthalpies of formation of quaternary Heusler compounds (X, Ni){sub 2}MnSn (X = Co, Cu, Fe, Pd) were investigated experimentally using high temperature direct reaction calorimetry. Lattice parameters of these compounds were determined using X-ray diffraction analysis. Microstructures were identified using scanning electron microscopy and energy dispersive spectroscopy. The effect of an additional X element on the standard enthalpy of formation of the Heusler compound Ni{sub 2}MnSn is discussed. - Highlights: • Enthalpies of formation of (X,Ni){sub 2}YZ (X = Co, Cu, Fe, Pd) were measured by drop calorimeters. • Magnetic contribution to enthalpy of formation plays an important role. • Introducing a fourth element could stabilize an unstable Heusler structure. • Lattice parameters do not necessarily obey the Vegard's law. • It is possible to tailor properties of Heusler compounds with enough background information.

  18. Fermi FT2 Spacecraft Pointing Files

    Data.gov (United States)

    National Aeronautics and Space Administration — This utility permits you to download the most current version of the spacecraft (FT2) file predicting the LAT's pointing for a given mission week. The FT2 file is a...

  19. Spherically Symmetric Solutions on a Non-Trivial Frame in f(T) Theories of Gravity

    Science.gov (United States)

    Gamal, G. L. Nashed

    2012-05-01

    A new solution with constant torsion is derived using the field equations of f(T). Asymptotic forms of energy density, radial and transversal pressures are shown to meet the standard energy conditions, i.e., weak and null energy conditions according to some restrictions on T0, f(T0) and fT(T0). Other solutions are obtained for vanishing radial pressure and for specific choices of f(T). The physics relevant to the resulting models is discussed.

  20. SWiFT Software Quality Assurance Plan.

    Energy Technology Data Exchange (ETDEWEB)

    Berg, Jonathan Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-01-01

    This document describes the software development practice areas and processes which contribute to the ability of SWiFT software developers to provide quality software. These processes are designed to satisfy the requirements set forth by the Sandia Software Quality Assurance Program (SSQAP). APPROVALS SWiFT Software Quality Assurance Plan (SAND2016-0765) approved by: Department Manager SWiFT Site Lead Dave Minster (6121) Date Jonathan White (6121) Date SWiFT Controls Engineer Jonathan Berg (6121) Date CHANGE HISTORY Issue Date Originator(s) Description A 2016/01/27 Jon Berg (06121) Initial release of the SWiFT Software Quality Assurance Plan

  1. Phase portraits of general f(T) cosmology

    Science.gov (United States)

    Awad, A.; El Hanafy, W.; Nashed, G. G. L.; Saridakis, Emmanuel N.

    2018-02-01

    We use dynamical system methods to explore the general behaviour of f(T) cosmology. In contrast to the standard applications of dynamical analysis, we present a way to transform the equations into a one-dimensional autonomous system, taking advantage of the crucial property that the torsion scalar in flat FRW geometry is just a function of the Hubble function, thus the field equations include only up to first derivatives of it, and therefore in a general f(T) cosmological scenario every quantity is expressed only in terms of the Hubble function. The great advantage is that for one-dimensional systems it is easy to construct the phase space portraits, and thus extract information and explore in detail the features and possible behaviours of f(T) cosmology. We utilize the phase space portraits and we show that f(T) cosmology can describe the universe evolution in agreement with observations, namely starting from a Big Bang singularity, evolving into the subsequent thermal history and the matter domination, entering into a late-time accelerated expansion, and resulting to the de Sitter phase in the far future. Nevertheless, f(T) cosmology can present a rich class of more exotic behaviours, such as the cosmological bounce and turnaround, the phantom-divide crossing, the Big Brake and the Big Crunch, and it may exhibit various singularities, including the non-harmful ones of type II and type IV. We study the phase space of three specific viable f(T) models offering a complete picture. Moreover, we present a new model of f(T) gravity that can lead to a universe in agreement with observations, free of perturbative instabilities, and applying the Om(z) diagnostic test we confirm that it is in agreement with the combination of SNIa, BAO and CMB data at 1σ confidence level.

  2. Cosmological viability conditions for f(T) dark energy models

    Energy Technology Data Exchange (ETDEWEB)

    Setare, M.R.; Mohammadipour, N., E-mail: rezakord@ipm.ir, E-mail: N.Mohammadipour@uok.ac.ir [Department of Science, University of Kurdistan, Sanandaj (Iran, Islamic Republic of)

    2012-11-01

    Recently f(T) modified teleparallel gravity where T is the torsion scalar has been proposed as the natural gravitational alternative for dark energy. We perform a detailed dynamical analysis of these models and find conditions for the cosmological viability of f(T) dark energy models as geometrical constraints on the derivatives of these models. We show that in the phase space exists two cosmologically viable trajectory which (i) The universe would start from an unstable radiation point, then pass a saddle standard matter point which is followed by accelerated expansion de sitter point. (ii) The universe starts from a saddle radiation epoch, then falls onto the stable matter era and the system can not evolve to the dark energy dominated epoch. Finally, for a number of f(T) dark energy models were proposed in the more literature, the viability conditions are investigated.

  3. Violation of causality in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Otalora, G. [Pontificia Universidad Catolica de Valparaiso, Instituto de Fisica, Valparaiso (Chile); Reboucas, M.J. [Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro, RJ (Brazil)

    2017-11-15

    In the standard formulation, the f(T) field equations are not invariant under local Lorentz transformations, and thus the theory does not inherit the causal structure of special relativity. Actually, even locally violation of causality can occur in this formulation of f(T) gravity. A locally Lorentz covariant f(T) gravity theory has been devised recently, and this local causality problem seems to have been overcome. The non-locality question, however, is left open. If gravitation is to be described by this covariant f(T) gravity theory there are a number of issues that ought to be examined in its context, including the question as to whether its field equations allow homogeneous Goedel-type solutions, which necessarily leads to violation of causality on non-local scale. Here, to look into the potentialities and difficulties of the covariant f(T) theories, we examine whether they admit Goedel-type solutions. We take a combination of a perfect fluid with electromagnetic plus a scalar field as source, and determine a general Goedel-type solution, which contains special solutions in which the essential parameter of Goedel-type geometries, m{sup 2}, defines any class of homogeneous Goedel-type geometries. We show that solutions of the trigonometric and linear classes (m{sup 2} < 0 and m = 0) are permitted only for the combined matter sources with an electromagnetic field matter component. We extended to the context of covariant f(T) gravity a theorem which ensures that any perfect-fluid homogeneous Goedel-type solution defines the same set of Goedel tetrads h{sub A}{sup μ} up to a Lorentz transformation. We also showed that the single massless scalar field generates Goedel-type solution with no closed time-like curves. Even though the covariant f(T) gravity restores Lorentz covariance of the field equations and the local validity of the causality principle, the bare existence of the Goedel-type solutions makes apparent that the covariant formulation of f(T) gravity

  4. Associations between standardized school performance tests and mixtures of Pb, Zn, Cd, Ni, Mn, Cu, Cr, Co, and V in community soils of New Orleans

    International Nuclear Information System (INIS)

    Zahran, Sammy; Mielke, Howard W.; Weiler, Stephan; Hempel, Lynn; Berry, Kenneth J.; Gonzales, Christopher R.

    2012-01-01

    In New Orleans a strong inverse association was previously identified between community soil lead and 4th grade school performance. This study extends the association to zinc, cadmium, nickel, manganese, copper, chromium, cobalt, and vanadium in community soil and their comparative effects on 4th grade school performance. Adjusting for poverty, food security, racial composition, and teacher-student ratios, regression results show that soil metals variously reduce and compress student scores. Soil metals account for 22%–24% while food insecurity accounts for 29%–37% of variation in school performance. The impact on grade point averages were Ni > Co > Mn > Cu ∼Cr ∼ Cd > Zn > Pb, but metals are mixtures in soils. The quantities of soil metal mixtures vary widely across the city with the largest totals in the inner city and smallest totals in the outer city. School grade point averages are lowest where the soil metal mixtures and food insecurity are highest. - Highlights: ► Mixtures of metals vary; largest totals in the inner city and lowest in the outer city. ► An inverse association between soil Pb and 4th grade school performance is known. ► Assuming the same exposure pathway, multiple metals are compared to performance. ► Soil metals account for 22%–24% of variation in school test performance. ► Soil metal plus food insecurity accounts for 54% of explained variance. - Controlling for potential confounding variables, the accumulation of metals (Pb, Zn, Cd, Ni, Mn, Cu, Cr, and Co) in neighborhood soils is significantly negatively associated with 4th grade school performance on standardized tests in New Orleans.

  5. Kerr geometry in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Bejarano, Cecilia; Guzman, Maria Jose [Instituto de Astronomia y Fisica del Espacio (IAFE, CONICET-UBA), Buenos Aires (Argentina); Ferraro, Rafael [Instituto de Astronomia y Fisica del Espacio (IAFE, CONICET-UBA), Buenos Aires (Argentina); Universidad de Buenos Aires, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Buenos Aires (Argentina)

    2015-02-01

    Null tetrads are shown to be a valuable tool in teleparallel theories of modified gravity. We use them to prove that Kerr geometry remains a solution for a wide family of f(T) theories of gravity. (orig.)

  6. Sandia SWiFT Wind Turbine Manual.

    Energy Technology Data Exchange (ETDEWEB)

    White, Jonathan; LeBlanc, Bruce Philip; Berg, Jonathan Charles; Bryant, Joshua; Johnson, Wesley D.; Paquette, Joshua

    2016-01-01

    The Scaled Wind Farm Technology (SWiFT) facility, operated by Sandia National Laboratories for the U.S. Department of Energy's Wind and Water Power Program, is a wind energy research site with multiple wind turbines scaled for the experimental study of wake dynamics, advanced rotor development, turbine control, and advanced sensing for production-scale wind farms. The SWiFT site currently includes three variable-speed, pitch-regulated, three-bladed wind turbines. The six volumes of this manual provide a detailed description of the SWiFT wind turbines, including their operation and user interfaces, electrical and mechanical systems, assembly and commissioning procedures, and safety systems. Further dissemination only as authorized to U.S. Government agencies and their contractors; other requests shall be approved by the originating facility or higher DOE programmatic authority. 111 UNCLASSIFIED UNLIMITED RELEASE Sandia SWiFT Wind Turbine Manual (SAND2016-0746 ) approved by: Department Manager SWiFT Site Lead Dave Minster (6121) Date Jonathan White (6121) Date SWiFT Site Supervisor Dave Mitchell (6121) Date Note: Document revision logs are found after the title page of each volume of this manual. iv

  7. Logamediate Inflation in f(T) Teleparallel Gravity

    Science.gov (United States)

    Rezazadeh, Kazem; Abdolmaleki, Asrin; Karami, Kayoomars

    2017-02-01

    We study logamediate inflation in the context of f(T) teleparallel gravity. f(T)-gravity is a generalization of the teleparallel gravity which is formulated on the Weitzenbock spacetime, characterized by the vanishing curvature tensor (absolute parallelism) and the non-vanishing torsion tensor. We consider an f(T)-gravity model which is sourced by a canonical scalar field. Assuming a power-law f(T) function in the action, we investigate an inflationary universe with a logamediate scale factor. Our results show that, although logamediate inflation is completely ruled out by observational data in the standard inflationary scenario based on Einstein gravity, it can be compatible with the 68% confidence limit joint region of Planck 2015 TT,TE,EE+lowP data in the framework of f(T)-gravity.

  8. Design note of an air-cooled 2 ft x 2 ft x 10. 5 ft long muon spoiler

    Energy Technology Data Exchange (ETDEWEB)

    Visser, A.; Pathiyil, J.

    1988-01-06

    This note describes the construction of a muon spoiler (magnetized steel assembly) with a cross section of 2 ft by 2 ft and a length of 10.5 ft. Two such spoilers are operated in series at an average field of about 15 kGauss, from one 100 ADC, 40 V power supply. The purpose of the spoilers is to prevent muons from easily escaping beyond the muon laboratory experimental area by bending them down so that they have to pass through more earth. The spoilers reduce the muon dose rate beyond the experimental area by about a factor of 15 to 20. These types of spoilers are not precision devices. They were inexpensive to build from scrap materials using rough flame cutting methods. It took about 14 days to fabricate them.

  9. NIR-FT Raman, FT-IR and surface-enhanced Raman scattering and ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 122; Issue 4. NIR-FT Raman, FT-IR and surface-enhanced Raman scattering and DFT based theoretical studies on the adsorption behaviour of (S)-Phenylsuccinic acid on silver nanoparticles. D Sajan V Bena Jothy Thomas Kuruvilla I Hubert Joe. Full Papers Volume ...

  10. Detection of starch adulteration in onion powder by FT-NIR and FT-IR spectroscopy

    Science.gov (United States)

    Adulteration of onion powder with cornstarch was identified by Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy. The reflectance spectra of 180 pure and adulterated samples (1–35 wt% starch) were collected and preprocessed to generate calibration and predi...

  11. FT4 Data Analysis Summary (SSI-ARC)

    Science.gov (United States)

    Isaacson, Douglas R.; Gong, Chester; Reardon, Scott Edward; Santiago, Confesor

    2016-01-01

    Standards for Unmanned Aircraft System (UAS) Detect-and-Avoid (DAA) systems are currently being developed under the auspices of the RTCA Special Committee 228 (SC-228). To support the development of these standards, a series of flight tests has been conducted at NASAs Armstrong Flight Research Center (NASA-AFRC). The fourth in this series of flight test activities (Flight Test 4, or simply FT4) was conducted during the Spring and Summer of 2016. FT4 supported the objectives of numerous organizations working toward UAS DAA Minimum Operational Performance Standards (MOPS) and UAS DAA Radar MOPS. The summary provided herein is limited to the objectives, analysis and conclusions of the NASA Ames Research Center (NASA-ARC) SSI team toward the refinement of UAS DAA MOPS. This document provides a high-level overview of FT4 and the SSI-ARC objectives, a summary of the data analysis methodology and recommendations for UAS DAA MOPS refinements based on the data analysis results. A total of 72 encounters were flown to support SSI-ARC objectives. Test results were generally consistent with acceptable UAS DAA system performance and will be considered in broader SC-228 requirements validation efforts. Observed alert lead times indicated acceptable UAS DAA alerting performance. Effective interoperability between the UAS DAA system and the Traffic Alert and Collision Avoidance System (TCAS) was observed with one notable exception: TCAS Resolutions Advisories (RA) were observed in the absence of any DAA alert on two occasions, indicating the need for alert parameter refinement. Findings further indicated the need for continued work in the areas of DAA Well Clear Recovery logic and alert stability for Mode-C-only intruders. Finally, results demonstrated a high level of compliance with a set of evaluation criteria designed to provide anecdotal evidence of acceptable UAS DAA system performance.

  12. Biochemical applications of FT-IR spectroscopy

    NARCIS (Netherlands)

    Pistorius, A.M.A.

    1996-01-01

    This thesis describes the use of (FT-)IR spectroscopy in general biochemical research. In chapter 3, IR spectroscopy is used in the quantitation of residual detergent after reconstitution of an integral membrane protein in a pre-defined lipid matrix. This chapter discusses the choice of the

  13. FT 3 Flight Test Cards for Export

    Science.gov (United States)

    Marston, Michael L.

    2015-01-01

    These flight test cards will be made available to stakeholders who participated in FT3. NASA entered into the relationship with our stakeholders, including the FAA, to develop requirements that will lead to routine flights of unmanned aircraft systems flying in the national airspace system.

  14. Energy profile, spectroscopic (FT-IR, FT-Raman and FT-NMR) and DFT studies of 4-bromoisophthalic acid

    Science.gov (United States)

    Arjunan, V.; Thirunarayanan, S.; Mohan, S.

    2018-04-01

    The stable conformer of 4-bromoisophthalic acid (BIPA) has been identified by potential energy profile analysis. All the structural parameters of 4-bromoisophthalic acid are determined by B3LYP method with 6-311++G**, 6-31G** and cc-pVTZ basis sets. The fundamental vibrations are analysed with the use of FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) spectra. The harmonic vibrational frequencies are theoretically calculated and compared with experimental FTIR and FT-Raman frequencies. The 1H and 13C NMR spectra have been analysed and compared with theoretical 1H and 13C NMR chemical shifts calculated by gauge independent atomic orbital (GIAO) method. The electronic properties, such as HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) energies are determined by B3LYP/cc-pVTZ method. The electron density distribution and site of chemical reactivity of BIPA molecule have been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP). Stability of the molecules arising from hyperconjugative interactions, charge delocalizations have been analysed by using natural bond orbital (NBO) analysis. The thermodynamic properties and atomic natural charges of the compound are analysed and the reactive sites of the molecule are identified. The global and local reactivity descriptors are evaluated to analyse the chemical reactivity and site selectivity of molecule through Fukui functions.

  15. An FT-Raman, FT-IR, and Quantum Chemical Investigation of Stanozolol and Oxandrolone

    Directory of Open Access Journals (Sweden)

    Tibebe Lemma

    2017-12-01

    Full Text Available We have studied the Fourier Transform Infrared (FT-IR and the Fourier transform Raman (FT-Raman spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT with a B3LYP/6-31G (d, p level of theory. The FT-IR and FT-Raman spectra were collected in a solid phase. The consistency between the calculated and experimental FT-IR and FT-Raman data indicates that the B3LYP/6-31G (d, p can generate reliable geometry and related properties of the title compounds. Selected experimental bands were assigned and characterized on the basis of the scaled theoretical wavenumbers by their total energy distribution. The good agreement between the experimental and theoretical spectra allowed positive assignment of the observed vibrational absorption bands. Finally, the calculation results were applied to simulate the Raman and IR spectra of the title compounds, which show agreement with the observed spectra.

  16. Detection of metanil yellow contamination in turmeric using FT-Raman and FT-IR spectroscopy

    Science.gov (United States)

    Dhakal, Sagar; Chao, Kuanglin; Qin, Jianwei; Kim, Moon; Schmidt, Walter; Chan, Dian

    2016-05-01

    Turmeric is well known for its medicinal value and is often used in Asian cuisine. Economically motivated contamination of turmeric by chemicals such as metanil yellow has been repeatedly reported. Although traditional technologies can detect such contaminants in food, high operational costs and operational complexities have limited their use to the laboratory. This study used Fourier Transform Raman Spectroscopy (FT-Raman) and Fourier Transform - Infrared Spectroscopy (FT-IR) to identify metanil yellow contamination in turmeric powder. Mixtures of metanil yellow in turmeric were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1% and 0.01% (w/w). The FT-Raman and FT-IR spectral signal of pure turmeric powder, pure metanil yellow powder and the 8 sample mixtures were obtained and analyzed independently to identify metanil yellow contamination in turmeric. The results show that FT-Raman spectroscopy and FT-IR spectroscopy can detect metanil yellow mixed with turmeric at concentrations as low as 1% and 5%, respectively, and may be useful for non-destructive detection of adulterated turmeric powder.

  17. Holographic Polytropic f(T Gravity Models

    Directory of Open Access Journals (Sweden)

    Surajit Chattopadhyay

    2015-01-01

    Full Text Available The present paper reports a study on the cosmological consequences arising from reconstructing f(T gravity through new holographic polytropic dark energy. We assume two approaches, namely, a particular form of Hubble parameter H and a solution for f(T. We obtain the deceleration parameter and effective equation of state, as well as torsion equation of state parameters from total density and pressure in both cases. It is interesting to mention here that the deceleration and torsion equation of state represent transition from deceleration to acceleration phase. We study the statefinder parameters under both approaches which result in the fact that statefinder trajectories are found to attain ΛCDM point. The comparison with observational data represents consistent results. Also, we discuss the stability of reconstructed models through squared speed of sound which represents stability in late times.

  18. Advances in handheld FT-IR instrumentation

    Science.gov (United States)

    Arnó, Josep; Cardillo, Len; Judge, Kevin; Frayer, Maxim; Frunzi, Michael; Hetherington, Paul; Levy, Dustin; Oberndorfer, Kyle; Perec, Walter; Sauer, Terry; Stein, John; Zuidema, Eric

    2012-06-01

    FT-IR spectroscopy is the technology of choice to identify solid and liquid phase unknown samples. The challenges of ConOps (Concepts of Operation) in emergency response and military field applications require a significant redesign of the stationary FT-IR bench-top instruments typically used in laboratories. Specifically, field portable units require high levels of resistance against mechanical shock and chemical attack, ease of use in restrictive gear, quick and easy interpretation of results, and reduced size. In the last 20 years, FT-IR instruments have been re-engineered to fit in small suitcases for field portable use and recently further miniaturized for handheld operation. This article introduces the advances resulting from a project designed to overcome the challenges associated with miniaturizing FT-IR instruments. The project team developed a disturbance-corrected permanently aligned cube corner interferometer for improved robustness and optimized opto-mechanical design to maximize optical throughput and signal-to-noise ratios. Thermal management and heat flow were thoroughly modeled and studied to isolate sensitive components from heat sources and provide the widest temperature operation range. Similarly, extensive research on mechanical designs and compensation techniques to protect against shock and vibration will be discussed. A user interface was carefully created for military and emergency response applications to provide actionable information in a visual, intuitive format. Similar to the HazMatID family of products, state-of-the-art algorithms were used to quickly identify the chemical composition of complex samples based on the spectral information. This article includes an overview of the design considerations, tests results, and performance validation of the mechanical ruggedness, spectral, and thermal performance.

  19. The model FT-3106 nuclide activity meter

    International Nuclear Information System (INIS)

    Yang Jianming

    1999-01-01

    The author describes the important role of the nuclide activity meter in scientific research, production, medicine and health and its general situation of development in the country. The working principle, structure and feature of the new model FT-3106 nuclide activity meter are presented through description of the measures to improve the properties and quality in research and design. Finally the situation of its popularization and application are given

  20. Use of FT-NIR Spectroscopy for Bovine Colostrum Analysis

    Directory of Open Access Journals (Sweden)

    P. Navrátilová

    2006-01-01

    Full Text Available Fourier transformation near infrared spectroscopy (FT-NIR in combination with partial least squares (PLS method were used to determine the content of total solids, fat, non-fatty solids, lactose and proteins in bovine colostrum. Spectra of 90 samples were measured in the reflectance mode with a transflectance cuvette in the 10000-4000 cm-1 spectral ranges with 100 scans. Calibration was performed and statistical values of correlation coefficients (R and standard error of calibration values (SEC were computed for total solids (0.986 and 0.919, respectively, fat (0.997 and 0.285, respectively, non-fatty solids (0.995 and 0.451, respectively, lactose (0.934 and 0.285, respectively and protein (0.999 and 0.149, respectively. The calibration models developed were verified by cross validation. It follows from the study that FT-NIR spectroscopy can be used to determine the components of bovine colostrum.

  1. Constraining f(T) teleparallel gravity by big bang nucleosynthesis. f(T) cosmology and BBN

    Energy Technology Data Exchange (ETDEWEB)

    Capozziello, S. [Universita di Napoli ' ' Federico II' ' , Complesso Universitario di Monte Sant' Angelo, Dipartimento di Fisica ' ' E. Pancini' ' , Napoli (Italy); Istituto Nazionale di Fisica Nucleare (INFN), Sezione di Napoli (Italy); Gran Sasso Science Institute, L' Aquila (Italy); Lambiase, G. [University of Salerno, Dipartimento di Fisica E.R. Cainaiello, Fisciano (Italy); INFN, Gruppo Collegato di Salerno, Sezione di Napoli, Fisciano (Italy); Saridakis, E.N. [National Technical University of Athens, Department of Physics, Athens (Greece); Baylor University, CASPER, Physics Department, Waco, TX (United States)

    2017-09-15

    We use Big Bang Nucleosynthesis (BBN) observational data on the primordial abundance of light elements to constrain f(T) gravity. The three most studied viable f(T) models, namely the power law, the exponential and the square-root exponential are considered, and the BBN bounds are adopted in order to extract constraints on their free parameters. For the power-law model, we find that the constraints are in agreement with those obtained using late-time cosmological data. For the exponential and the square-root exponential models, we show that for reliable regions of parameters space they always satisfy the BBN bounds. We conclude that viable f(T) models can successfully satisfy the BBN constraints. (orig.)

  2. Constraining f(T) teleparallel gravity by big bang nucleosynthesis. f(T) cosmology and BBN

    International Nuclear Information System (INIS)

    Capozziello, S.; Lambiase, G.; Saridakis, E.N.

    2017-01-01

    We use Big Bang Nucleosynthesis (BBN) observational data on the primordial abundance of light elements to constrain f(T) gravity. The three most studied viable f(T) models, namely the power law, the exponential and the square-root exponential are considered, and the BBN bounds are adopted in order to extract constraints on their free parameters. For the power-law model, we find that the constraints are in agreement with those obtained using late-time cosmological data. For the exponential and the square-root exponential models, we show that for reliable regions of parameters space they always satisfy the BBN bounds. We conclude that viable f(T) models can successfully satisfy the BBN constraints. (orig.)

  3. Development of modified FT (MFT) process

    Energy Technology Data Exchange (ETDEWEB)

    Jinglai Zhou; Zhixin Zhang; Wenjie Shen [Institute of Coal Chemistry, Taiyuan (China)] [and others

    1995-12-31

    Two-Stage Modified FT (MFT) process has been developed for producing high-octane gasoline from coal-based syngas. The main R&D are focused on the development of catalysts and technologies process. Duration tests were finished in the single-tube reactor, pilot plant (100T/Y), and industrial demonstration plant (2000T/Y). A series of satisfactory results has been obtained in terms of operating reliability of equipments, performance of catalysts, purification of coal - based syngas, optimum operating conditions, properties of gasoline and economics etc. Further scaling - up commercial plant is being considered.

  4. SWiFT site atmospheric characterization

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, Christopher Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ennis, Brandon Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-01-01

    Historical meteorological tall tower data are analyzed from the Texas Tech University 200 m tower to characterize the atmospheric trends of the Scaled Wind Farm Technologies (SWiFT) site. In this report the data are analyzed to reveal bulk atmospheric trends, temporal trends and correlations of atmospheric variables. Through this analysis for the SWiFT turbines the site International Electrotechnical Commission (IEC) classification is determined to be class III-C. Averages and distributions of atmospheric variables are shown, revealing large fluctuations and the importance of understanding the actual site trends as opposed to simply using averages. The site is significantly directional with the average wind speed from the south, and particularly so in summer and fall. Site temporal trends are analyzed from both seasonal (time of the year) to daily (hour of the day) perspectives. Atmospheric stability is seen to vary most with time of day and less with time of year. Turbulence intensity is highly correlated with stability, and typical daytime unstable conditions see double the level of turbulence intensity versus that experienced during the average stable night. Shear, veer and atmospheric stability correlations are shown, where shear and veer are both highest for stable atmospheric conditions. An analysis of the Texas Tech University tower anemometer measurements is performed which reveals the extent of the tower shadow effects and sonic tilt misalignment.

  5. FT-IR, FT-Raman and UV-visible spectra of potassium 3-furoyltrifluoroborate salt

    Science.gov (United States)

    Iramain, Maximiliano A.; Davies, Lilian; Brandán, Silvia Antonia

    2018-04-01

    The potassium 3-furoyltrifluoroborate salt has been experimentally characterized by means of FT-IR, FT-Raman and UV-Visible spectroscopies. Here, the predicted FT-IR, FT-Raman and UV-visible spectra by using theoretical B3LYP/6-31G* and 6-311++G** calculations show very good correlations with the corresponding experimental ones. The solvation energies were predicted by using both levels of calculations. The NBO analyses reveal the high stability of the salt by using the B3LYP/6-31G* level of theory while the AIM studies evidence the ionic characteristics of the salt in both media. The strong blue colour observed on the K atom by using the molecular electrostatic potential mapped suggests that this region act as typical electrophilic site. The gap values have revealed that the salt in gas phase is more reactive than in solution, as was reported in the literature while, the F13⋯H6 interaction together with the Ksbnd O bond observed by the studies of their charges could probably modulate the reactivities of this salt in aqueous solution. The force fields were computed with the SQMFF methodology and the Molvib program to perform the complete vibrational analysis. Then, the 39 vibration normal modes classified as 26 A'+ 13 A″ were completely assigned and their force constants are also reported.

  6. FT-IR, FT-Raman and Computational Study of Ethyl Methyl Ketone Semicarbazone

    Directory of Open Access Journals (Sweden)

    P. S. Binil

    2011-01-01

    Full Text Available FT-IR and FT-Raman spectra of ethyl methyl ketone semicarbazone were recorded and analyzed. The vibrational wavenumbers were computed using HF/6-31G*, B3PW91/6-31G* and B3LYP/6-31G* basis and compared with experimental data. The first hyperpolarizability, infrared intensities and Raman activities are reported. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive object for future studies of non-linear optics. The extended π-electron delocalization over the carbazone moiety is responsible for the nonlinearity of the molecule. The geometrical parameters of the title compound are in agreement with that of similar derivatives. The red shift of the NH stretching wavenumber in the infrared spectrum from the computed wavenumber indicates the weakening of the NH bond resulting in proton transfer to the neighboring oxygen atom.

  7. Part 2: Sensitivity comparisons of the insect Centroptilum triangulifer to Ceriodaphnia dubia and Daphnia magna using standard reference toxicants; NaCl, KCl and CuSO4

    Science.gov (United States)

    Criteria for establishing water quality standards that are protective of all native biota are generally based upon laboratory toxicity tests. These test utilize common model organisms that have established test methods. However, only a small portion of species have established ...

  8. Assessment of Azithromycin in Pharmaceutical Formulation by Fourier-transform Infrared (FT-IR Transmission Spectroscopy

    Directory of Open Access Journals (Sweden)

    Muhammad Ali Mallah

    2011-12-01

    Full Text Available A simple, rapid and economical method for azithromycin quantification in solid tablet and capsule formulations has been developed by applying Fourier-transform Infrared (FT-IR transmission spectroscopy for regular quality monitoring. The newly developed method avoids the sample preparation, except grinding for pellet formation and does not involve consumption of any solvent as it absolutely eliminates the need of extraction. KBr pellets were employed for the appraisal of azithromycin while acquiring spectra of standards as well as samples on FT-IR. By selecting the FT-IR carbonyl band (C=O in the region 1,744–1,709 cm−1 the calibration model was developed based on simple Beer’s law. The excellent regression coefficient (R2 0.999 was accomplished for calibration set having standard error of calibration equal to 0.01 mg. The current work exposes that transmission FT-IR spectroscopy can definitely be applied to determine the exact amount of azithromycin to control the processing and quality of solid formulations with reduced cost and short analysis time.

  9. Quintessence and Holographic Dark Energy in f(T) Gravity

    International Nuclear Information System (INIS)

    Zubair, M.

    2015-01-01

    We regard f(T) theory as an efficient tool to explain the current cosmic acceleration and associate its evolution with the known dark energy models. The numerical scheme is applied to reconstruct f(T) theory from dark energy model with constant equation of state parameter and holographic dark energy model. We set the model parameters ω ϑ and c as describing the different evolution eras and show the distinctive behavior of each case realized in f(T) theory. We also present the future evolution of reconstructed f(T) and find that it is consistent with the recent observations.

  10. McVittie solution in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Bejarano, Cecilia; Jose Guzman, Maria [Instituto de Astronomia y Fisica del Espacio (IAFE, CONICET-UBA), Buenos Aires (Argentina); Ferraro, Rafael [Instituto de Astronomia y Fisica del Espacio (IAFE, CONICET-UBA), Buenos Aires (Argentina); Universidad de Buenos Aires, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Buenos Aires (Argentina)

    2017-12-15

    We show that McVittie geometry, which describes a black hole embedded in a FLRW universe, not only solves the Einstein equations but also remains as a non-deformable solution of f(T) gravity. This search for GR solutions that survive in f(T) gravity is facilitated by a null tetrad approach. We also show that flat FLRW geometry is a consistent solution of f(T) dynamical equations not only for T = -6H{sup 2} but also for T = 0, which could be a manifestation of the additional degrees of freedom involved in f(T) theories. (orig.)

  11. No further gravitational wave modes in F(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Bamba, Kazuharu, E-mail: bamba@kmi.nagoya-u.ac.jp [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Capozziello, Salvatore, E-mail: capozziello@na.infn.it [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Dipartimento di Fisica, Università di Napoli “Federico II” (Italy); INFN Sez. di Napoli, Compl. Univ. di Monte S. Angelo, Edificio G, Via Cinthia, I-80126 Napoli (Italy); De Laurentis, Mariafelicia, E-mail: felicia@na.infn.it [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Dipartimento di Fisica, Università di Napoli “Federico II” (Italy); INFN Sez. di Napoli, Compl. Univ. di Monte S. Angelo, Edificio G, Via Cinthia, I-80126 Napoli (Italy); Nojiri, Shin' ichi, E-mail: nojiri@phys.nagoya-u.ac.jp [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Department of Physics, Nagoya University, Nagoya 464-8602 (Japan); Sáez-Gómez, Diego, E-mail: diego.saezgomez@uct.ac.za [Kobayashi–Maskawa Institute for the Origin of Particles and the Universe, Nagoya University, Nagoya 464-8602 (Japan); Astrophysics, Cosmology and Gravity Centre (ACGC) and Department of Mathematics and Applied Mathematics, University of Cape Town, Rondebosch 7701, Cape Town (South Africa); Fisika Teorikoaren eta Zientziaren Historia Saila, Zientzia eta Teknologia Fakultatea, Euskal Herriko Unibertsitatea, 644 Posta Kutxatila, 48080 Bilbao (Spain)

    2013-11-25

    We explore the possibility of further gravitational wave modes in F(T) gravity, where T is the torsion scalar in teleparallelism. It is explicitly demonstrated that gravitational wave modes in F(T) gravity are equivalent to those in General Relativity. This result is achieved by calculating the Minkowskian limit for a class of analytic function of F(T). This consequence is also confirmed by the preservative analysis around the flat background in the weak field limit with the scalar–tensor representation of F(T) gravity.

  12. No further gravitational wave modes in F(T) gravity

    International Nuclear Information System (INIS)

    Bamba, Kazuharu; Capozziello, Salvatore; De Laurentis, Mariafelicia; Nojiri, Shin'ichi; Sáez-Gómez, Diego

    2013-01-01

    We explore the possibility of further gravitational wave modes in F(T) gravity, where T is the torsion scalar in teleparallelism. It is explicitly demonstrated that gravitational wave modes in F(T) gravity are equivalent to those in General Relativity. This result is achieved by calculating the Minkowskian limit for a class of analytic function of F(T). This consequence is also confirmed by the preservative analysis around the flat background in the weak field limit with the scalar–tensor representation of F(T) gravity

  13. [Effect of selenium on serum TGAb, TMAb, FT3, FT4 and TSH of rats with excessive intake of iodine].

    Science.gov (United States)

    Chi, Haiyan; Zhou, Yuping; Li, Li

    2012-07-01

    To investigate the effect of selenium on the TGAb, TMAb, FT3, FT4 and TSH level of rats with excessive intake of iodine. Wistar rats were divided into three groups by random:normal control, high iodine group and high iodine plus selenium group. Rats in the high iodine plus selenium group were lavaged with sodium selenite for 10 weeks. The levels of serum TGAb, TMAb, FT3, FT4 and TSH were tested at different time of the experiment. There were no significant change on levels of FT3, FT4 and TSH (P > 0.05). The levels of TGAb and TMAb in the high iodine group were increased slowly (P iodine plus selenium group. Excessive intake of iodine might induce goiter, and selenium might have antagonistic effect on it.

  14. Synthesis of Cu Nanoparticles Using Copper Carbonate as Cu Source Toward Versatile Applications.

    Science.gov (United States)

    Yano, Kazuhisa; Ishizaki, Toshitaka; Sugiyama, Hidehiko

    2018-07-01

    Cu nanoparticles (NPs) coated with polyvinylpyrrolidone (PVP) were fabricated by polyol method using copper carbonate as a raw material. To increase the reaction temperature, glycol multimers such as diethylene glycol, triethylene glycol, or tetraethylene glycol were examined as a solvent. With increasing degree of multimerization, average diameter of Cu NPs decreased. The synthesis of Cu NPs was further investigated by changing reaction temperature, the amount and molecular weight of PVP in triethylene glycol as a solvent. Average diameter and standard deviation of Cu NPs were found to be highly dependent on those factors. As a result, fine Cu NPs ranging from 28 to 67 nm in average size with narrow size distribution (standard deviation: 16-28%) were obtained. The obtained Cu NPs were applied to a nanofluid, which showed higher thermal conductivity than the theoretical value. The antibacterial activity of Cu NPs was also demonstrated, and found to have strong antibacterial activity.

  15. Molecular imprinting method for fabricating novel glucose sensor: polyvinyl acetate electrode reinforced by MnO2/CuO loaded on graphene oxide nanoparticles.

    Science.gov (United States)

    Farid, Mohammad Masoudi; Goudini, Leila; Piri, Farideh; Zamani, Abbasali; Saadati, Fariba

    2016-03-01

    An enzyme free glucose sensor was prepared by a molecular imprinting method (MIP). The procedure was developed by in situ preparation of a new polyvinyl acetate (PVA) electrode reinforced by MnO2/CuO loaded on graphene oxide (GO) nanoparticles (PVA/MnO2@GO/CuO). The nanocomposite was modified in the presence of glucose and then imprinted. A carbone paste method with voltammetry was used in the fabrication of the sensor from prepared MIP nanocomposite. PVA/MnO2@GO/CuO electrode was characterized by X-ray diffraction, FT-IR spectroscopy and scanning electron microscopy. Electrocatalytic activity of the electrode toward glucose oxidation was then investigated by cyclic voltammetry in alkaline medium. The results show that the response of PVA/MnO2@GO/CuO MIP is much higher than PVA/MnO2@GO/CuO non-imprinted electrode toward glucose oxidation. The detection limit was 53μM, and the sensor responses are linear for concentrations from 0.5 to 4.4mM. Relative standard deviations for intra- and inter-day determination were less than 6.0%. The relative recoveries for different samples were 96%. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Proposed Regulation of Fuels and Fuel Additives: Federal Volatility Control Program in the Denver-Boulder-Greeley-Ft. Collins-Loveland, Colorado, 1997 8-Hour Ozone Nonattainment Area

    Science.gov (United States)

    This notice proposes establishing an applicable standard of 7.8 pounds (psi) Reid vapor pressure under the federal volatility control program, in the Denver-Boulder-Greeley-Ft. Collins-Loveland, Colorado, 1997 8-hour ozone nonattainment area.

  17. FT and florigen long-distance flowering control in plants.

    Science.gov (United States)

    Putterill, Joanna; Varkonyi-Gasic, Erika

    2016-10-01

    The great hunt for florigen, the universal, long distance flowering regulator proposed by Chailakhan in the 1930s, resulted in the discovery a decade ago that FT-like proteins fulfilled the predictions for florigen. They are small (∼175 amino acids), globular, phosphatidylethanolamine-binding (PEBP) proteins, phloem-expressed, graft-transmissible and able to move to the shoot apex to act as potent stimulators of flowering in many plants. Genes that regulate Arabidopsis FT protein movement and some features of Arabidopsis FT protein that make it an effective florigen have recently been identified. Although floral promotion via graft transmission of FT has not been demonstrated in trees, FT-like genes have been successfully applied to reducing the long juvenile (pre-flowering) phase of many trees enabling fast track breeding. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Mechanochemical synthesis of Cu-Al and methyl orange intercalated Cu-Al layered double hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Jun, E-mail: forsjun@whut.edu.cn [School of Resources and Environmental Engineering, Wuhan University of Technology, Luoshi Road 122, Wuhan, Hubei 430070 (China); He, Xiaoman; Chen, Min; Hu, Huimin [School of Resources and Environmental Engineering, Wuhan University of Technology, Luoshi Road 122, Wuhan, Hubei 430070 (China); Zhang, Qiwu, E-mail: zhangqw@whut.edu.cn [School of Resources and Environmental Engineering, Wuhan University of Technology, Luoshi Road 122, Wuhan, Hubei 430070 (China); Liu, Xinzhong [College of Ecological Environment and Urban Construction, Fujian University of Technology, Fuzhou 350118 China (China)

    2017-04-15

    In this study, a mechanochemical route to synthesize a Cu-Al layered double hydroxide (LDH) and a methyl orange (MO) intercalated one (MO-LDH) was introduced, in which basic cupric carbonate (Cu{sub 2}(OH){sub 2}CO{sub 3}) and aluminum hydroxide (Al(OH){sub 3}) with Cu/Al molar ratio at 2/1 was first dry ground for 2 h and then agitated in water or methyl orange solution for another 4 h to obtain the LDH and MO-LDH products without any heating operation. The prepared samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Thermogravimetry (TG), Differential scanning calorimetry (DSC) and Scanning electron microscopy (SEM). The products showed high crystallinity phase of Cu-Al and MO intercalated Cu-Al LDH with no evident impurities, proving that the craft introduced here was facile and effective. The new idea can be applied in other fields to produce organic-inorganic composites. - Highlights: • A facile mechanochemical route to synthesize Cu-Al and MO intercalated Cu-Al LDH. • The products possesses high crystalline of LDH phase with no impure phases. • The dry milling process induces the element substitution between the raw materials. • The agitation operation helps the grain growth of LDH.

  19. Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy

    Science.gov (United States)

    Dhakal, Sagar; Chao, Kuanglin; Schmidt, Walter; Qin, Jianwei; Kim, Moon; Chan, Diane

    2016-01-01

    Turmeric powder (Curcuma longa L.) is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman) and Fourier Transform-Infra Red (FT-IR) spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powder. Sample mixtures of turmeric powder and metanil yellow were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1%, and 0.01% (w/w). FT-Raman and FT-IR spectra were acquired for these mixture samples as well as for pure samples of turmeric powder and metanil yellow. Spectral analysis showed that the FT-IR method in this study could detect the metanil yellow at the 5% concentration, while the FT-Raman method appeared to be more sensitive and could detect the metanil yellow at the 1% concentration. Relationships between metanil yellow spectral peak intensities and metanil yellow concentration were established using representative peaks at FT-Raman 1406 cm−1 and FT-IR 1140 cm−1 with correlation coefficients of 0.93 and 0.95, respectively. PMID:28231130

  20. Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy.

    Science.gov (United States)

    Dhakal, Sagar; Chao, Kuanglin; Schmidt, Walter; Qin, Jianwei; Kim, Moon; Chan, Diane

    2016-05-17

    Turmeric powder ( Curcuma longa L.) is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman) and Fourier Transform-Infra Red (FT-IR) spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powder. Sample mixtures of turmeric powder and metanil yellow were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1%, and 0.01% ( w/w ). FT-Raman and FT-IR spectra were acquired for these mixture samples as well as for pure samples of turmeric powder and metanil yellow. Spectral analysis showed that the FT-IR method in this study could detect the metanil yellow at the 5% concentration, while the FT-Raman method appeared to be more sensitive and could detect the metanil yellow at the 1% concentration. Relationships between metanil yellow spectral peak intensities and metanil yellow concentration were established using representative peaks at FT-Raman 1406 cm -1 and FT-IR 1140 cm -1 with correlation coefficients of 0.93 and 0.95, respectively.

  1. Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Sagar Dhakal

    2016-05-01

    Full Text Available Turmeric powder (Curcuma longa L. is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman and Fourier Transform-Infra Red (FT-IR spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powder. Sample mixtures of turmeric powder and metanil yellow were prepared at concentrations of 30%, 25%, 20%, 15%, 10%, 5%, 1%, and 0.01% (w/w. FT-Raman and FT-IR spectra were acquired for these mixture samples as well as for pure samples of turmeric powder and metanil yellow. Spectral analysis showed that the FT-IR method in this study could detect the metanil yellow at the 5% concentration, while the FT-Raman method appeared to be more sensitive and could detect the metanil yellow at the 1% concentration. Relationships between metanil yellow spectral peak intensities and metanil yellow concentration were established using representative peaks at FT-Raman 1406 cm−1 and FT-IR 1140 cm−1 with correlation coefficients of 0.93 and 0.95, respectively.

  2. Electrospray ionization FT-ICR mass spectrometry of ARN naphthenic acids in crudes : preconcentration and quantification

    Energy Technology Data Exchange (ETDEWEB)

    Mapolelo, M.M.; Rodgers, R.P.; Marshall, A.G. [Florida State Univ., Tallahassee, FL (United States). Dept. of Chemistry and Biochemistry; Florida State Univ., Tallahassee, FL (United States). Cyclotron Resonance Program, National High Magnetic Field Laboratory

    2008-07-01

    The deposition of naphthenate solids and formation of sodium soaps in oil production equipment are known to create flow assurance problems for oilfield operators. Calcium naphthenate formation depends largely on tetraprotic naphthenic acids known as ARN acids in crude oil, whereas sodium naphthenates originate from less substituted lower molecular weight naphthenic acids. This study attempted to preconcentrate and quantify ARN-type acids in whole crude oils. Fourier transform ion cyclotron resonance (FT-ICR) mass spectroscopy (MS) provided detailed acidic speciation for all crudes and deposits analyzed. The preconcentration step involved bubbling ammonia into toluene-diluted crudes known to have ARN-type acids. ARN acids from the crystals increased from undetectable in the parent crude, to the most abundant acid species in the extract mass spectrum. A pure ARN acid standard was prepared for quantitation from successive cleaning and acid digestion of a naphthenate deposit. Analysis of the standard by negative-ion electrospray ionization (ESI) FT-ICR MS showed only ARN acid species. The paper described how API gravity, solvent systems and the paraffinic versus aromatic composition in the crude oil can influence crystal formation. Correlation of FT-ICR MS data of the respective crudes known to contain ARN acids naturally and crudes spiked with ARN acid standard were discussed and the significance of the preconcentration step was highlighted as a method to enhance the detection of ARN acids in crudes.

  3. Microstructure characterization of Cu processed by compression with oscillatory torsion

    International Nuclear Information System (INIS)

    Rodak, K.; Pawlicki, J.

    2014-01-01

    High purity Cu (99.9%) was subjected to severe plastic deformation up to a total effective strain ε ft = 130 through compression with the oscillatory torsion method at room temperature. This method produces an ultrafine grain microstructure. The microstructure evolution was investigated with respect to the value of the total effective strain using a scanning electron microscope with an electron-backscattered diffraction technique and a scanning transmission electron microscope. The results of the structural analyses show that increasing ε ft from 2 to 50 causes progress in the grain refinement. A quantitative study of the microstructure parameters, such as fraction of high angle boundaries, grain and subgrain diameter, and the area fraction of grains up to 1 μm, shows that deformation at ε ft = 45 guaranteed the best conditions for refining the microstructure of Cu. Using high values of ε ft in the range 60 to 130 restricts grain refinement because intensive recovery begins to dominate in the microstructure. - Highlights: • Cu was processed by SPD metodto an effective strain 130. • The microstructure evolution has been investigated. • The method allows to produce an ultrafine grain microstructure

  4. Microstructure characterization of Cu processed by compression with oscillatory torsion

    Energy Technology Data Exchange (ETDEWEB)

    Rodak, K., E-mail: kinga.rodak@polsl.pl [Institute of Materials Science, Silesian University of Technology, Krasińskiego 8, 40-019 Katowice (Poland); Pawlicki, J., E-mail: jacek.pawlicki@polsl.pl [Department of Automotive Vehicle Construction, Silesian University of Technology, Krasińskiego 8, 40–019 Katowice (Poland)

    2014-08-15

    High purity Cu (99.9%) was subjected to severe plastic deformation up to a total effective strain ε{sub ft} = 130 through compression with the oscillatory torsion method at room temperature. This method produces an ultrafine grain microstructure. The microstructure evolution was investigated with respect to the value of the total effective strain using a scanning electron microscope with an electron-backscattered diffraction technique and a scanning transmission electron microscope. The results of the structural analyses show that increasing ε{sub ft} from 2 to 50 causes progress in the grain refinement. A quantitative study of the microstructure parameters, such as fraction of high angle boundaries, grain and subgrain diameter, and the area fraction of grains up to 1 μm, shows that deformation at ε{sub ft} = 45 guaranteed the best conditions for refining the microstructure of Cu. Using high values of ε{sub ft} in the range 60 to 130 restricts grain refinement because intensive recovery begins to dominate in the microstructure. - Highlights: • Cu was processed by SPD metodto an effective strain 130. • The microstructure evolution has been investigated. • The method allows to produce an ultrafine grain microstructure.

  5. FT-IR Study of CO2 Adsorption in a Dynamic Copper(II) Benzoate-Pyrazine Host with CO2-CO2 Interactions in the Adsorbed State

    Energy Technology Data Exchange (ETDEWEB)

    Kauffman, Kristi L. [National Energy Technology Lab. (NETL), Pittsburgh, PA (United States); Culp, Jeffrey T. [National Energy Technology Lab. (NETL), Pittsburgh, PA (United States); Goodman, Angela [National Energy Technology Lab. (NETL), Pittsburgh, PA (United States); Matranga, Christopher [National Energy Technology Lab. (NETL), Pittsburgh, PA (United States)

    2011-02-10

    A detailed correlation is presented between the in situ Fourier transform-infrared (FT-IR) spectra of adsorbed CO2, CuBzPyz host bands, and CO2 adsorption sites using previously reported crystal structures of CO2- loaded CuBzPyz and CO2 adsorption. isotherms. Through the analysis of both in situ attenuated total reflectance FT-IR spectra taken at several points on the high pressure isotherm and in situ transmission FT-IR spectra acquired at low pressures and cryogenic temperatures, we provide additional insight into the pore-filling mechanism of CO2 on the structurally dynamic CuBzPyz host. The FT-IR spectrum of adsorbed CO2 shows distinct v2 and v3 spectral features that can be attributed to known CO2 adsorption sites observed in the reported crystal structure of the CO2-saturated phase of CuBzPyz. The availability of detailed high quality CO2-loaded structural data for CuBzPyz makes this system a case study for associating infrared spectral features with CO2 adsorption sites and should prove valuable for future interpretations of CO2 host-guest and guest-guest interactions when X-ray quality structural data is unavailable.

  6. Characterization of Momordica charantia Ussing FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Attila Keseru

    2016-11-01

    In this paper, because earlier claim shows that the plant used as stomachic, carminative, tonic, antipyretic, antidiabetic, in rheumatoid arthritis and gout, the present investigation was carried to characterized a principal components of plant using FT-IR technique

  7. Contours - MO 2012 Greene County 5ft Contours (SHP)

    Data.gov (United States)

    NSGIC State | GIS Inventory — 5ft cartographic contour file for Greene County, Missouri. This file was created using the elevation data from the 2011 LiDAR flight. It includes indexes for 10, 25,...

  8. Static anisotropic solutions in f(T) theory

    Energy Technology Data Exchange (ETDEWEB)

    Daouda, M.H.; Rodrigues, Manuel E. [Universidade Federal do Espirito Santo, Centro de Ciencias Exatas, Departamento de Fisica, Av. Fernando Ferrari s/n, Campus de Goiabeiras, CEP29075-910, Vitoria, ES (Brazil); Houndjo, M.J.S. [Universidade Federal da Bahia, Instituto de Fisica, Salvador, BA (Brazil)

    2012-02-15

    In previous work, we undertook to study static and anisotropic content in f(T) theory and obtained new spherically symmetric solutions considering a constant torsion and some particular conditions for the pressure. In this paper, still in the framework of f(T) theory, new spherically symmetric solutions are obtained, first considering the general case of an isotropic fluid and later the anisotropic content case in which the generalized conditions for the matter content are considered such that the energy density, the radial and tangential pressures depend on the algebraic f(T) and its derivative f{sub T} (T). Moreover, we obtain the algebraic function f(T) through the reconstruction method for two cases and also study a polytropic model for the stellar structure. (orig.)

  9. Mapping Discrimination Experienced by Indonesian Trans* FtM Persons.

    Science.gov (United States)

    Gordon, Danny; Pratama, Mario Prajna

    2017-01-01

    This work sought to document how Indonesian trans* FtM persons experienced discrimination across the interlinked domains of social networks, religious and educational institutions, employment and the workplace, and health care institutions. Objectives were (1) to map the discrimination experienced by trans* FtM individuals in Indonesia, and (2) to establish the specific priorities of the Indonesian trans* FtM community. In-depth interviews, focus groups, and participant observation was used involving 14 respondents. Findings revealed that respondents experienced othering through rejection, misidentification, harassment, "correction," and bureaucratic discrimination across the five preestablished domains. Health care and a lack of information emerged as areas of particular concern for respondents. This work calls for health care that is sensitive to the needs of trans* FtM people coupled with high-quality information to alleviate the cycles through which discrimination is sustained.

  10. Data Sources for NetZero Ft Carson Model

    Data.gov (United States)

    U.S. Environmental Protection Agency — Table of values used to parameterize and evaluate the Ft Carson NetZero integrated Model with published reference sources for each value. This dataset is associated...

  11. Ultrasound-assisted biosynthesis of CuO-NPs using brown alga Cystoseira trinodis: Characterization, photocatalytic AOP, DPPH scavenging and antibacterial investigations.

    Science.gov (United States)

    Gu, Haidong; Chen, Xiao; Chen, Feng; Zhou, Xing; Parsaee, Zohreh

    2018-03-01

    This contribution reports the biosynthesis of CuO NPs via ultrasound method using the Cystoseira trinodis extracts as an eco friendly and time saving process. The characterization of cupric oxide NPs was performed using XRD, FE-SEM, EDX, TEM, AFM, photoluminescence, UV-Vis, Raman and FT-IR spectroscopy investigations. SEM images show the spherical structure with the average crystallite size 6nm to 7.8nm of CuO. XRD analysis approved the formation of pure monoclinic crystallite structures of CuO NPs. These observations were confirmed by TEM analysis. The photocatalytic studies reveal the activity of the prepared CuO NPs as an efficient catalyst for the degradation of methylene blue (MB) in the presence of UV and Sunlight. CuO NPs under varying experimental parameters such as dye concentration, catalytic load, pH. The results of the in vitro biological screening effect of CuO NPs (zone of growth inhibition and minimal inhibitory concentrations) in comparison with cephalexin (as a standard compound) using the disc diffusion method was demonstrated the significant bactericidal activity against some bacteria strain including Escherichia coli (E. coli), Enterococcus faecalis (E. faecalis), Salmonella typhimurium (S. typhimurium), Staphylococcus aureus (S. aureus), Bacillus subtilis (B. subtilis), and Streptococcus faecalis (S. faecalis). Furthermore, the Nps found to inhibit the activity of 1,1-Diphenyl-2-picrylhydrazyl (DPPH) free radicals effectively. This study introduces a facile, green and low coast method for the synthesis of monoclinic CuO NPs with catalytic, antioxidant and antibacterial properties. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. New static solutions in f(T) theory

    Energy Technology Data Exchange (ETDEWEB)

    Daouda, M.H.; Rodrigues, Manuel E. [Universidade Federal do Espirito Santo, Centro de Ciencias Exatas, Departamento de Fisica, Vitoria, ES (Brazil); Houndjo, M.J.S. [Universidade Federal da Bahia, Instituto de Fisica, Salvador, BA (Brazil)

    2011-11-15

    We consider the equations of motion of an anisotropic space-time in f(T) theory, where T is the torsion. New spherically symmetric solutions of black holes and wormholes are obtained with a constant torsion and for the cases for which the radial pressure is proportional to a real constant, to some algebraic functions f(T) and their derivatives f{sub T}(T), or vanishes identically. (orig.)

  13. New observational constraints on f(T) cosmology from radio quasars

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Jing-Zhao; Cao, Shuo; Zhu, Zong-Hong [Beijing Normal University, Department of Astronomy, Beijing (China); Biesiada, Marek; Zheng, Xiaogang [Beijing Normal University, Department of Astronomy, Beijing (China); University of Silesia, Department of Astrophysics and Cosmology, Institute of Physics, Katowice (Poland)

    2017-08-15

    Using a new recently compiled milliarcsecond compact radio data set of 120 intermediate-luminosity quasars in the redshift range 0.46 < z < 2.76, whose statistical linear sizes show negligible dependence on redshifts and intrinsic luminosity and thus represent standard rulers in cosmology, we constrain three viable and most popular f(T) gravity models, where T is the torsion scalar in teleparallel gravity. Our analysis reveals that constraining power of the quasars data (N = 120) is comparable to the Union2.1 SN Ia data (N = 580) for all three f(T) models. Together with other standard ruler probes such as cosmic microwave background and baryon acoustic oscillation distance measurements, the present value of the matter density parameter Ω{sub m} obtained by quasars is much larger than that derived from other observations. For one of the models considered (f{sub 1}CDM) a small but noticeable deviation from ΛCDM cosmology is present, while in the framework of f{sub 3}CDM the effective equation of state may cross the phantom divide line at lower redshifts. These results indicate that intermediate-luminosity quasars could provide an effective observational probe comparable to SN Ia at much higher redshifts, and f(T) gravity is a reasonable candidate for the modified gravity theory. (orig.)

  14. Radiotherapy combined with Tegafur (FT-207s) for brain tumors

    International Nuclear Information System (INIS)

    Aoki, Yoshiro

    1981-01-01

    5-Fluorouracil (5-FU) has anti-tumor effects as an anti-metabolite, but it cannot pass the Blood-Brain-Barrier (BBB). FT-207 a masked-compound of 5-FU, is easily lipid soluble and is able to pass the BBB. Twenty eight patients of primary brain tumor and 8 patients of metastatic brain tumor were treated with irradiation combined with 750 mg of FT-207 suppository. Twenty four patients of primary brain tumor were treated only with irradiation as control. The mean survival time was 20.4 +- 11.8 months for the combined therapy group and 17.6 +- 8.6 months for the control. The concentration of FT-207 and 5-FU in serum and in cerebrospinal fluid (CSF) was investigated after administration of 750 mg of FT-207 suppository per annum. The maximum concentration of FT-207 and of 5-FU in serum was 20.4 +- 11.8 mcg/ml and 0.06 +- 0.02 mcg/ml, respectively. There were observed several side effects, such as anorexia, nausea, exanthema and etc. These side effects were not so great as to interrupt the therapy at the dose level of 750 mg of FT-207. However, at the dose of 1500 mg, one case showed disturbance of consciousness, to which attention should be called. (author)

  15. A review of the FT distillate pathway in GHGenius

    International Nuclear Information System (INIS)

    2006-01-01

    Fischer-Tropsch (FT) distillates products are now used throughout the world as a commercial fuel. However, lifecycle greenhouse gas (GHG) emissions from FT distillates fuels are higher than diesel fuel produced from crude oil. This paper provided details of a lifecycle analysis of FT distillates pathways created for GHGenius, a model used to analyze emissions from a variety of combustion sources. The study examined values reported in tests conducted by major oil and gas operators and described the conversion technologies typically used at FT distillates production facilities. Summaries of reports on FT distillates emissions were also provided. Three primary factors were identified that contributed to different results reported for FT distillates emissions: (1) the efficiency of the conversion process; (2) the allocation procedure used in the conventional oil refinery for the emissions of individual products; and (3) the emissions associated with natural gas production. The GHGenius model was used to quantify the impact of the 3 main factors. An alternative system expansion methodology was used to compare crude oil diesel pathways with a high efficiency, low gas leak scenario in order to achieve high values reported by some oil and gas operators. 5 refs., 5 tabs., 5 figs

  16. Evaluation of Turmeric Powder Adulterated with Metanil Yellow Using FT-Raman and FT-IR Spectroscopy

    OpenAIRE

    Dhakal, Sagar; Chao, Kuanglin; Schmidt, Walter; Qin, Jianwei; Kim, Moon; Chan, Diane

    2016-01-01

    Turmeric powder (Curcuma longa L.) is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman) and Fourier Transform-Infra Red (FT-IR) spectroscopy as separate but complementary methods for detecting metanil yellow adulteration of turmeric powd...

  17. FT-Raman and FT-Infrared investigations of archaeological artefacts from Foeni Neolithic site (Banat, Romania)

    OpenAIRE

    Simona Cîntă Pînzaru; Dana Pop; Loredana Nemeth

    2008-01-01

    An impressive collection of chert artefacts from the Foeni Neolithic archaeological site (Timiş County, Banat region, Romania) is hosted by the Banat Museum in Timişoara. A representative set of seven specimens was non-destructively investigated using FT-Raman and ATR-FT-IR spectroscopy. The research was carried out for checking if these readily-available, non-destructive, fast, and cheap methods, which do not require preliminary sample preparation could provide significant information for ch...

  18. FT-Raman and FT-IR studies of 1:2.5 piroxicam: β-cyclodextrin inclusion compound

    Science.gov (United States)

    Bertoluzza, A.; Rossi, M.; Taddei, P.; Redenti, E.; Zanol, M.; Ventura, P.

    1999-05-01

    The FT-Raman and FT-IR spectra of amorphous 1:2.5 piroxicam (P): β-cyclodextrin (βCD) inclusion compound (PβCD) are presented and discussed in comparison with the spectra of the three main modifications of piroxicam (α,β and monohydrate). In the 1700-1200 cm -1 FT-Raman spectrum of 1:2.5 PβCD inclusion compound the bands of βCD are weak and covered by those stronger of piroxicam, differently from the FT-IR spectrum where the bands of βCD are stronger, so covering a large part of the spectrum. Typical FT-Raman marker bands are assigned for the characterization of the three modifications of piroxicam. The FT-Raman spectrum of 1:2.5 PβCD inclusion compound predominantly shows the bands at about 1465 and 1400 cm -1 of the monohydrate, indicating that piroxicam assumes the zwitterionic structure stabilized by interaction with βCD via electrostatic and hydrogen bonds. The dipolar character of 1:2.5 PβCD inclusion compound improves the solubility and the dissolution rate of piroxicam and thus its rate of absorption.

  19. Address Points, Address points were attributed according to NENA standards and field verfied between the dates of June 2008 thru August 2008. The address points were then matched to the Verizon Telco database with a 99% hit rate in October of 2008., Published in 2006, 1:1200 (1in=100ft) scale, Eastern Shore Regional GIS Cooperative.

    Data.gov (United States)

    NSGIC Regional | GIS Inventory — Address Points dataset current as of 2006. Address points were attributed according to NENA standards and field verfied between the dates of June 2008 thru August...

  20. Inflationary cosmology in unimodular F(T) gravity

    Science.gov (United States)

    Bamba, Kazuharu; Odintsov, Sergei D.; Saridakis, Emmanuel N.

    2017-07-01

    We investigate the inflationary realization in the context of unimodular F(T) gravity, which is based on the F(T) modification of teleparallel gravity, in which one imposes the unimodular condition through the use of Lagrange multipliers. We develop the general reconstruction procedure of the F(T) form that can give rise to a given scale-factor evolution, and then we apply it in the inflationary regime. We extract the Hubble slow-roll parameters that allow us to calculate various inflation-related observables, such as the scalar spectral index and its running, the tensor-to-scalar ratio, and the tensor spectral index. Then, we examine the particular cases of de Sitter and power-law inflation, of Starobinsky inflation, as well as inflation in a specific model of unimodular F(T) gravity. As we show, in all cases the predictions of our scenarios are in a very good agreement with Planck observational data. Finally, inflation in unimodular F(T) gravity has the additional advantage that it always allows for a graceful exit for specific regions of the model parameters.

  1. Structural role of Cu in the soil active glasses

    Directory of Open Access Journals (Sweden)

    Irena Wacławska

    2012-06-01

    Full Text Available Glasses from the SiO2-P2O5-K2O-CaO-MgO-CuO system acting as slow release fertilizers were synthesized by the melt-quenching technique. Influence of copper addition on structure of the glasses was evaluated by XRD, SEM, FT-IR and Raman spectroscopy. Chemical activity of the glasses in 2 wt.% citric acid solutions was measured by ICP-AES method. It has been found that increasing content of phosphorous increased solubility of copper in the structure of the studied glasses which was the result of formation of P-O-Cu bonds.

  2. An industrial FT-IR process gas analyzer for stack gas cems analysis

    Energy Technology Data Exchange (ETDEWEB)

    Welch, G.M. [American instruments, Anacortes, WA (United States); Herman, B.E. [Applied Automation/Hartmann & Braun, Bartlesville, OK (United States)

    1995-12-31

    This paper describes utilizing Fourier Transform Infrared (FT-IR) technology to meet and exceed EPA requirements to Continuously Monitor Carbon Monoxide (CO) and Sulfur Dioxide (SO){sub 2} in an oil refinery. The application consists of Continuous Emission Monitoring (CEMS) of two stacks from a Fluid Catalytic Cracking unit (FCCU). The discussion will follow the project from initial specifications, installation, start-up, certification results (RATA, 7 day drift), Cylinder Gas Audit (CGA) and the required maintenance. FT-IR is a powerful analytical tool suitable for measurement of stack component gases required to meet CEMS regulations, and allows simultaneous multi-component analysis of complex stack gas streams with a continuous sample stream flow through the measurement cell. The Michelson Interferometer in a unique {open_quotes}Wishbone{close_quotes} design and with a special alignment control enables standardized configuration of the analyzer for flue gas analysis. Normal stack gas pollutants: NO{sub x}, SO{sub 2}, and CO; as well as water soluble pollutants such as NH{sub 3} and HCI may be accurately determined and reported even in the presence of 0-31 Vol % water vapor concentrations (hot and wet). This FT-IR analyzer has been operating with EPA Certification in an oil refinery environment since September 1994.

  3. Astrophysical flows near f(T) gravity black holes

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Ayyesha K.; Jamil, Mubasher [National University of Sciences and Technology (NUST), Department of Mathematics, School of Natural Sciences (SNS), Islamabad (Pakistan); Azreg-Ainou, Mustapha [Baskent University, Baglica Campus, Engineering Faculty, Ankara (Turkey); Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Capozziello, Salvatore [Universita di Napoli ' ' Federico II' ' , Dipartimento di Fisica, Naples (Italy); Gran Sasso Science Institute (INFN), L' Aquila (Italy); INFN Sezione di Napoli, Naples (Italy)

    2016-05-15

    In this paper, we study the accretion process for fluids flowing near a black hole in the context of f(T) teleparallel gravity. Specifically, by performing a dynamical analysis by a Hamiltonian system, we are able to find the sonic points. After that, we consider different isothermal test fluids in order to study the accretion process when they are falling onto the black hole. We find that these flows can be classified according to the equation of state and the black hole features. Results are compared in f(T) and f(R) gravity. (orig.)

  4. Organic Scintillator Detector Response Simulations with DRiFT

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, Madison Theresa [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bates, Cameron Russell [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mckigney, Edward Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rising, Michael Evan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pinilla, Maria Isabel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Solomon, Jr., Clell Jeffrey [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sood, Avneet [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-12-19

    Accurate detector modeling is a requirement to design systems in many non-proliferation scenarios; by determining a Detector’s Response Function (DRF) to incident radiation, it is possible characterize measurements of unknown sources. DRiFT is intended to post-process MCNP® output and create realistic detector spectra. Capabilities currently under development include the simulation of semiconductor, gas, and (as is discussed in this work) scintillator detector physics. Energy spectra and pulse shape discrimination (PSD) trends for incident photon and neutron radiation have been reproduced by DRiFT.

  5. Selective solid phase extraction of copper using a new Cu(II)-imprinted polymer and determination by inductively coupled plasma optical emission spectroscopy (ICP-OES).

    Science.gov (United States)

    Yilmaz, Vedat; Arslan, Zikri; Hazer, Orhan; Yilmaz, Hayriye

    2014-05-01

    This work reports the preparation of a novel Cu(II)-ion imprinted polymer using 2-thiozylmethacrylamide (TMA) for on-line preconcentration of Cu(II) prior to its determination by inductively coupled optical emission spectroscopy (ICP-OES). Cu(II)-TMA monomer (complex) was synthesized and copolymerized via bulk polymerization method in the presence of ethyleneglycoldimethacrylate cross-linker. The resulting polymer was washed with 5% (v/v) HNO 3 to remove Cu(II) ions and then with water until a neutral pH. The ion imprinted polymer was characterized by FT-IR and scanning electron microscopy. The experimental conditions were optimized for on-line preconcentration of Cu(II) using a minicolumn of ion imprinted polymer (IIP). Quantitative retention was achieved between pH 5.0 and 6.0, whereas the recoveries for the non-imprinted polymer (NIP) were about 61%. The IIP showed about 30 times higher selectivity to Cu(II) in comparison to NIP. The IIP also exhibited excellent selectivity for Cu(II) against the competing transition and heavy metal ions, including Cd, Co, Cr, Fe, Mn, Ni, Pb and Zn. Computational calculations revealed that the selectivity of IIP was mediated by the stability of Cu(II)-TMA complex which was far more stable than those of Co(II), Ni(II) and Zn(II) that have similar charge and ionic radii to Cu(II). A volume of 10 mL sample solution was loaded onto the column at 4.0 mL min -1 by using a sequential injection system (FIALab 3200) followed by elution with 1.0 mL of 2% (v/v) HNO 3 . The relative standard deviation (RSD) and limit of detection (LOD, 3s) of the method were 3.2% and 0.4 μg L -1 , respectively. The method was successfully applied to determination of Cu(II) in fish otoliths (CRM 22), bone ash (SRM 1400) and coastal seawater and estuarine water samples.

  6. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.

    Science.gov (United States)

    Mathammal, R; Monisha, N R; Yasaswini, S; Krishnakumar, V

    2015-03-15

    In this work, the vibrational spectral analysis is carried out by using Raman and infrared spectroscopy in the range 4000-400 cm(-1) and 4000-50 cm(-1) respectively for N,N-Diphenyl Formamide (DPF) molecule. The optimized molecular structures, vibrational frequencies and corresponding vibrational assignments, nuclear magnetic resonance (NMR) and ultraviolet-visible (UV-VIS) spectra of the title molecule are evaluated using density functional theory (DFT) with standard B3LYP/6-31G(d,p) basis set. The harmonic vibrational frequencies are calculated and the scaled values have been compared with experimental FT-IR and FT-Raman spectra. The observed and calculated frequencies are found to be in good agreement. The stability of the molecule arising from hyper conjugative interactions and the charge delocalization has been analyzed using natural bond (NBO) analysis. The possible electronic transitions are determined by HOMO-LUMO orbital shapes and their energies. Thermodynamic properties (heat capacity, entropy and enthalpy) and the first hyperpolarizability of the title compound are calculated. The Mulliken charges and electric dipole moment of the molecule are computed using DFT calculations. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shift of the molecules are calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Green synthesis, morphological and optical studies of CuO nanoparticles

    Science.gov (United States)

    Reddy, K. Rayapa

    2017-12-01

    CuO nanoparticles were synthesized by environmentally benign green route with copper acetate precursor using Caloropis procera leaf extract. The CuO nanoparticles produced by the process after calcination at 700° C were characterized by X-ray diffraction (XRD) and the pattern reveals monoclinic structure. The cylindrical shape of CuO nanoparticles were observed by scanning electron microscopy. FT-IR spectra confirmed the adsorption of surfactant molecules at the surface of CuO nanoparticles and presence of Cusbnd O bonding. Thermal studies were carried out by thermogravimetric and deferential thermal analysis techniques. Raman spectra, is used to explore the local atomic arrangements and vibrations of CuO nanoparticles. In addition, UV-Visible spectra were used to estimate the band gap energy of CuO nanoparticles.

  8. Generalized second law of thermodynamics in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Karami, K.; Abdolmaleki, A., E-mail: KKarami@uok.ac.ir, E-mail: AAbdolmaleki@uok.ac.ir [Department of Physics, University of Kurdistan, Pasdaran St., Sanandaj (Iran, Islamic Republic of)

    2012-04-01

    We investigate the validity of the generalized second law (GSL) of gravitational thermodynamics in the framework of f(T) modified teleparallel gravity. We consider a spatially flat FRW universe containing only the pressureless matter. The boundary of the universe is assumed to be enclosed by the Hubble horizon. For two viable f(T) models containing f(T) = T+μ{sub 1}((−T)){sup n} and f(T) = T−μ{sub 2}T(1−e{sup βT{sub 0}/T}), we first calculate the effective equation of state and deceleration parameters. Then, (we investigate the null and strong energy conditions and conclude that a sudden future singularity appears in both models. Furthermore, using a cosmographic analysis we check the viability of two models. Finally, we examine the validity of the GSL and find that for both models it) is satisfied from the early times to the present epoch. But in the future, the GSL is violated for the special ranges of the torsion scalar T.

  9. Determination of cellulose I crystallinity by FT-Raman spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Richard S. Reiner; Sally A. Ralph

    2009-01-01

    Two new methods based on FT-Raman spectroscopy, one simple, based on band intensity ratio, and the other, using a partial least-squares (PLS) regression model, are proposed to determine cellulose I crystallinity. In the simple method, crystallinity in semicrystalline cellulose I samples was determined based on univariate regression that was first developed using the...

  10. FT-Raman study of dehydrogenation polymer (DHP) lignins

    Science.gov (United States)

    Umesh P. Agarwal; Noritsugu Terashima

    2003-01-01

    Compared to conventional Raman spectroscopy where samples are excited using visible light lasers, 1064 nm-excited FT-Raman technique has the single most important advantage that the sample-fluorescence is significantly suppressed for samples that are strongly fluorescent. DHPs are difficult to analyze in conventional Raman because small amounts of chromophores present...

  11. FT-IR, NMR SPECTROSCOPIC and QUANTUM MECHANICAL ...

    African Journals Online (AJOL)

    FT-IR, NMR SPECTROSCOPIC and QUANTUM MECHANICAL. INVESTIGATIONS OF TWO FERROCENE DERIVATIVES. Özgür Alver1* and Cemal Parlak2. 1Department of Physics, Science Faculty, Anadolu University, Eskişehir, 26470, Turkey. 2Department of Physics, Science Faculty, Ege University, İzmir, 35100, ...

  12. Synthesis of Bimetal Fe and Cu Altered TUD-1: A Mesoporous Catalyst for Phenol Hydroxylation Reaction.

    Science.gov (United States)

    Pachamuthu, Muthusamy Poomalai; Subhapriya, Pushparaju

    2018-04-01

    Fe and Cu ions incorporated (Si/Cu = 50, Si/Fe = 50 and Si/Cu + Fe = 50) amorphous, wormhole structured mesoporous catalysts (CuTUD-1, FeTUD-1 and FeCuTUD-1) (TUD-1-Technische Universiteit Delft) have been synthesized hydrothermally using low cost, non-surfactant template triethanolamine (TEA). Physicochemical properties of the catalysts were made using X-ray diffraction (XRD), Nitrogen sorption, FT-IR, DRS UV Visible, FT Raman, SEM, TEM and TG-DTG techniques. The results showed that the materials possess mesoporous, foam type morphology, surface area 485-634 m2/g, pore size 4.8-6.8 nm, pore volume 0.67-0.83 cm3/g and metal ions (Cu2+ and Fe3+) coordinative environment. The highly dispersed Cu2+ and Fe3+ active sites are observed in FeCuTUD-1 catalyst. Also, the synthesized catalysts are tested in the oxidation of phenol with hydrogen peroxide (H2O2) oxidant. Further, reaction parameters such as time, temperature, and catalyst were also investigated.

  13. [Evaluation of Malassezia species by Fourier transform infrared (FT-IR) spectroscopy].

    Science.gov (United States)

    Ergin, Cağrı; Vuran, M Emre; Gök, Yaşar; Ozdemir, Durmuş; Karaarslan, Aydın; Kaleli, Ilknur; Zorbozan, Orçun; Kabay, Nilgün; Con, Ahmet Hilmi

    2011-10-01

    Malassezia species which are lipophilic exobasidiomycetes fungi, have been accepted as members of normal cutaneous flora as well as causative agent of certain skin diseases. In routine microbiology laboratory, species identification based on phenotypic characters may not yield identical results with taxonomic studies. Lipophilic and lipid-dependent Malassezia yeasts require lipid-enriched complex media. For this reason, Fourier transform infrared (FT-IR) spectroscopy analysis focused on lipid window may be useful for identification of Malassezia species. In this study, 10 different standard Malassezia species (M.dermatis CBS 9145, M.furfur CBS 7019, M.japonica CBS 9432, M.globosa CBS 7966, M.nana CBS 9561, M.obtusa CBS 7876, M.pachydermatis CBS 1879, M.slooffiae CBS 7956, M.sympodialis CBS 7222 and M.yamatoensis CBS 9725) which are human pathogens, have been analyzed by FT-IR spectroscopy following standard cultivation onto modified Dixon agar medium. Results showed that two main groups (M1; M.globosa, M.obtusa, M.sympodialis, M.dermatis, M.pachydermatis vs, M2; M.furfur, M.japonica, M.nana, M.slooffiae, M.yamatoensis) were discriminated by whole spectra analysis. M.obtusa in M1 by 1686-1606 cm-1 wavenumber ranges and M.japonicum in M2 by 2993-2812 cm-1 wavenumber ranges were identified with low level discrimination power. Discriminatory areas for species differentiation of M1 members as M.sympodialis, M.globosa and M.pachydermatis and M2 members as M.furfur and M.yamatoensis could not be identified. Several spectral windows analysis results revealed that FT-IR spectroscopy was not sufficient for species identification of culture grown Malassezia species.

  14. Microwave, sonochemical and combustion synthesized CuO nanostructures and their electrical and bactericidal properties

    Energy Technology Data Exchange (ETDEWEB)

    Karunakaran, C., E-mail: karunakaranc@rediffmail.com; Manikandan, G.; Gomathisankar, P.

    2013-12-15

    Highlights: •CuO nanoleaves synthesized by CTAB-assisted hydrothermal method. •CuO nanodiscs synthesized by CTAB-assisted sonochemical method. •Combustion synthesized CuO is highly porous. •Synthetic method and morphology influence CuO bactericidal activity. -- Abstract: Cetyltrimethylammonium bromide (CTAB)-assisted microwave synthesis of CuO provides nanoleaves and in the absence of CTAB the shape of CuO is irregular. Sonochemical synthesis of CuO using CTAB gives nanodiscs whereas irregularly shaped flake-like structure is obtained without CTAB. Combustion synthesized CuO is highly porous with innumerable large holes. CTAB does not provide any structure in combustion synthesis. Transmission electron micrographs (TEM) display the constituent nanoparticles of microwave and sonochemically synthesized CuO. The powder X-ray diffractogram (XRD) shows the sample obtained by sonochemical method in the absence of CTAB as a mixture of monoclinic CuO, cubic Cu{sub 2}O, and orthorhombic Cu(OH){sub 2}. But the rest of the samples are pure CuO in monoclinic phase. The selected area electron diffractograms (SAED) of the microwave and sonochemically synthesized samples, in the presence as well as in the absence of CTAB, confirm the monoclinic phase of CuO and indicates the presence of amorphous CuO in traces. All the samples are characteristic of Fourier Transform infrared (FT-IR) Cu–O stretching frequencies. The method of synthesis and also the morphology influence the electrical properties as well as the bactericidal activity of CuO.

  15. Comparison of New Tau PET-Tracer Candidates With [18F]T808 and [18F]T807

    Directory of Open Access Journals (Sweden)

    Lieven Declercq Pharmacist

    2016-01-01

    Full Text Available Early clinical results of two tau tracers, [18F]T808 and [18F]T807, have recently been reported. In the present study, the biodistribution, radiometabolite quantification, and competition-binding studies were performed in order to acquire comparative preclinical data as well as to establish the value of T808 and T807 as benchmark compounds for assessment of binding affinities of eight new/other tau tracers. Biodistribution studies in mice showed high brain uptake and fast washout. In vivo radiometabolite analysis using high-performance liquid chromatography showed the presence of polar radiometabolites in plasma and brain. No specific binding of [18F]T808 was found in transgenic mice expressing mutant human P301L tau. In semiquantitative autoradiography studies on human Alzheimer disease slices, we observed more than 50% tau selective blocking of [18F]T808 in the presence of 1 µmol/L of the novel ligands. This study provides a straightforward comparison of the binding affinity and selectivity for tau of the reported radiolabeled tracers BF-158, BF-170, THK5105, lansoprazole, astemizole, and novel tau positron emission tomography ligands against T807 and T808. Therefore, these data are helpful to identify structural requirements for selective interaction with tau and to compare the performance of new highly selective and specific radiolabeled tau tracers.

  16. Technical Capability Upgrades to the NASA Langley Research Center 8 ft. by 15 ft. Thermal Vacuum Chamber

    Science.gov (United States)

    Thornblom, Mark N.; Beverly, Joshua; O'Connell, Joseph J.; Duncan, Dwight L.

    2016-01-01

    The 8 ft. by 15 ft. thermal vacuum chamber (TVAC), housed in Building 1250 at the NASA Langley Research Center (LaRC), and managed by the Systems Integration and Test Branch within the Engineering Directorate, has undergone several significant modifications to increase testing capability, safety, and quality of measurements of articles under environmental test. Significant modifications include: a new nitrogen distribution manifold for supplying the shroud and other cold surfaces to liquid nitrogen temperatures; a new power supply and distribution system for accurately controlling a quartz IR lamp suite; a suite of contamination monitoring sensors for outgassing measurements and species identification; a new test article support system; signal and power feed-throughs; elimination of unnecessary penetrations; and a new data acquisition and control commanding system including safety interlocks. This paper will provide a general overview of the LaRC 8 ft. by 15 ft. TVAC chamber, an overview of the new technical capabilities, and will illustrate each upgrade in detail, in terms of mechanical design and predicted performance. Additionally, an overview of the scope of tests currently being performed in the chamber will be documented, and sensor plots from tests will be provided to show chamber temperature and pressure performance with actual flight hardware under test.

  17. The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method.

    Science.gov (United States)

    Sebastian, S; Sundaraganesan, N

    2010-03-01

    In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra, NBO and UV-spectral analysis of 4-Hydroxypiperidine (4-HP). The FT-IR solid phase (4000-400 cm(-1)), FT-IR gas phase (5000-400 cm(-1)) and FT-Raman spectra (3500-50 cm(-1)) of 4-HP was recorded. The molecular geometry, harmonic vibrational frequencies and bonding features of 4-HP in the ground-state have been calculated by using the density functional methods (BLYP, B3LYP) with 6-311G (d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). Stability of the molecule arising from hyperconjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The results show that charge in electron density (ED) in the sigma* antibonding orbitals and E (2) energies confirms the occurrence of ICT (Intra-molecular Charge Transfer) within the molecule. The UV spectrum was measured in ethanol solution. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) result complements the experimental findings. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Finally the calculation results were applied to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra. Copyright 2009 Elsevier B.V. All rights reserved.

  18. CuO nanoparticles and their antimicrobial activity against nosocomial strains

    Directory of Open Access Journals (Sweden)

    Mónica Marcela Gómez León

    2017-09-01

    Full Text Available Using a prototype reactor, CuO nanoparticles (NPs were synthetized through the precipitation method, starting from CuSO2·5H2O and Cu(CH3COO2·H2O. The obtained NPs were characterized by XDR, FT-IR, SEM, and TEM. The antimicrobial activity of the NPs was determined by the plate diffusion method, placing 20 mg of NPs onto four nosocomial strains obtained from north Lima national hospital Intensive-Care Unit (Staphylococcus epidermidis, Aerococcus viridans, Ochrobactrum anthropic, and Micrococcus lylae. NPs characterization revealed that those synthetized from acetate (CuO–Acet shown pure CuO phase, while those synthetized from sulphate CuO–Sulf shown two phases where CuO was the predominant one, having more than 84%. The crystal domains for CuO–Acet and CuO–Sulf were 15 and 19 nm, respectively. The inhibition halos for the studied strains were larger for CuO–Sulf NPs than CuO–Acet NPs, only Ochrobactrum anthropi displayed similar inhibition halos for both types of NPs.

  19. Isolation and functional characterization of JcFT, a FLOWERING LOCUS T (FT) homologous gene from the biofuel plant Jatropha curcas.

    Science.gov (United States)

    Li, Chaoqiong; Luo, Li; Fu, Qiantang; Niu, Longjian; Xu, Zeng-Fu

    2014-05-08

    Physic nut (Jatropha curcas L.) is a potential feedstock for biofuel production because Jatropha oil is highly suitable for the production of the biodiesel and bio-jet fuels. However, Jatropha exhibits low seed yield as a result of unreliable and poor flowering. FLOWERING LOCUS T (FT) -like genes are important flowering regulators in higher plants. To date, the flowering genes in Jatropha have not yet been identified or characterized. To better understand the genetic control of flowering in Jatropha, an FT homolog was isolated from Jatropha and designated as JcFT. Sequence analysis and phylogenetic relationship of JcFT revealed a high sequence similarity with the FT genes of Litchi chinensis, Populus nigra and other perennial plants. JcFT was expressed in all tissues of adult plants except young leaves, with the highest expression level in female flowers. Overexpression of JcFT in Arabidopsis and Jatropha using the constitutive promoter cauliflower mosaic virus 35S or the phloem-specific promoter Arabidopsis SUCROSE TRANSPORTER 2 promoter resulted in an extremely early flowering phenotype. Furthermore, several flowering genes downstream of JcFT were up-regulated in the JcFT-overexpression transgenic plant lines. JcFT may encode a florigen that acts as a key regulator in flowering pathway. This study is the first to functionally characterize a flowering gene, namely, JcFT, in the biofuel plant Jatropha.

  20. Application of FT NIR Spectroscopy in the Determination of Basic Physical and Chemical Properties of Sausages

    Directory of Open Access Journals (Sweden)

    Zuzana Procházková

    2010-01-01

    Full Text Available The objectives of this study were to develop calibration models for determination of water activity and the content of fat, dry matter, salt, non collagen muscle protein and pH in dry cooked sausages. Samples (n = 42 were scanned in FT-NIR Analyzer and simultaneously analyzed by standard methods. The spectra were measured in the reflectance mode with a compressive cell between 10 000 and 4 000 cm-1, averaging 100 scans. Calibration models were developed using the partial least squares (PLS method. These calibration models were checked later by crossvalidation. The following statistical values were obtained: R (correlation coefficient = 0.997 and SEC (standard error of calibration = 0.002 for water activity, R = 0.966 and SEC = 0.023 for pH, R = 0.995 and SEC = 0.970 for dry matter content, R = 0.995 and SEC = 0.045 for salt content, R = 0.965 and SEC = 0.652 for non collagen muscle protein, R = 0.996 and SEC = 0.559 for fat content. The results of the study showed that FT-NIR is a suitable method for rapid analysis of physical and chemical properties of sausages.

  1. Evolutionary trajectories of duplicated FT homologues and their roles in soybean domestication.

    Science.gov (United States)

    Wu, Faqiang; Sedivy, Eric J; Price, William Brian; Haider, Waseem; Hanzawa, Yoshie

    2017-06-01

    To clarify the molecular bases of flowering time evolution in crop domestication, here we investigate the evolutionary fates of a set of four recently duplicated genes in soybean: FT2a, FT2b, FT2c and FT2d that are homologues of the floral inducer FLOWERING LOCUS T (FT). While FT2a maintained the flowering inducer function, other genes went through contrasting evolutionary paths. FT2b evolved attenuated expression potentially associated with a transposon insertion in the upstream intergenic region, while FT2c and FT2d obtained a transposon insertion and structural rearrangement, respectively. In contrast to FT2b and FT2d whose mutational events occurred before the separation of G. max and G. soja, the evolution of FT2c is a G. max lineage specific event. The FT2c allele carrying a transposon insertion is nearly fixed in soybean landraces and differentiates domesticated soybean from wild soybean, indicating that this allele spread at the early stage of soybean domestication. The domesticated allele causes later flowering than the wild allele under short day and exhibits a signature of selection. These findings suggest that FT2c may have underpinned the evolution of photoperiodic flowering regulation in soybean domestication and highlight the evolutionary dynamics of this agronomically important gene family. © 2017 The Authors The Plant Journal © 2017 John Wiley & Sons Ltd.

  2. Applications of FT-IR spectrophotometry in cancer diagnostics.

    Science.gov (United States)

    Bunaciu, Andrei A; Hoang, Vu Dang; Aboul-Enein, Hassan Y

    2015-01-01

    This review provides a brief background to the application of infrared spectroscopy, including Fourier transform-infrared spectroscopy, in biological fluids. It is not meant to be complete or exhaustive but to provide the reader with sufficient background for selected applications in cancer diagnostics. Fourier transform-infrared spectroscopy (FT-IR) is a fast and nondestructive analytical method. The infrared spectrum of a mixture serves as the basis to quantitate its constituents, and a number of common clinical chemistry tests have proven to be feasible using this approach. This review focuses on biomedical FT-IR applications, published in the period 2009-2013, used for early detection of cancer through qualitative and quantitative analysis.

  3. In vivo release of FT-207 from irradiation polymerized composites

    International Nuclear Information System (INIS)

    Xie Huaijiang; Kou Qinghe; Song Juzhong; Peng Tao; Chen Xiaohui; Zhang Dexi

    1999-01-01

    Polymer-drugs composite with long periods of controlled slow release was made by radiation induced polymerization in room temperature. In experiment in vivo, the composite was implanted subcutaneously the back of rabbits. The concentration of 1-(2-tetrahydrofuryl)-5-fluorouracil (FT-207) was determined by HPLC. The results of test showed that the concentration of serum drug is 1.0 μg/mL after 1 week in the polymer-drug composites group. The drug concentration of tissue surrounding the composites is 76.2 +- 10.4 μg/mL. The drug concentration in the far organ (e.g.the lung 1.2 +- 0.5 μg/mL) is lower than the tissue surrounding the composite. The serum drug is higher and shorter time by the routine methods. The serum concentration of FT-207 is lower an retarded by implanted

  4. FT-NIR: A Tool for Process Monitoring and More.

    Science.gov (United States)

    Martoccia, Domenico; Lutz, Holger; Cohen, Yvan; Jerphagnon, Thomas; Jenelten, Urban

    2018-03-30

    With ever-increasing pressure to optimize product quality, to reduce cost and to safely increase production output from existing assets, all combined with regular changes in terms of feedstock and operational targets, process monitoring with traditional instruments reaches its limits. One promising answer to these challenges is in-line, real time process analysis with spectroscopic instruments, and above all Fourier-Transform Near Infrared spectroscopy (FT-NIR). Its potential to afford decreased batch cycle times, higher yields, reduced rework and minimized batch variance is presented and application examples in the field of fine chemicals are given. We demonstrate that FT-NIR can be an efficient tool for improved process monitoring and optimization, effective process design and advanced process control.

  5. Vibrational microspectroscopy of food. Raman vs. FT-IR

    DEFF Research Database (Denmark)

    Thygesen, Lisbeth Garbrecht; Løkke, Mette Marie; Micklander, Elisabeth

    2003-01-01

    FT-IR and Raman spectroscopy are complementary techniques for the study of molecular vibrations and structure. The combination with a microscope results in an analytical method that allows spatially resolved investigation of the chemical composition of heterogeneous foods and food ingredients...... to different heterogeneous food systems. FT-IR and Raman microspectroscopy were applied to a number of different problems related to food analysis: (1) in situ determination of starch and pectin in the potato cell, (2) in situ determination of the distribution of amygdalin in bitter almonds, (3......) the composition of blisters found on the surface of bread, (4) the microstructure of high-lysine barley and (5) the composition of white spots in the shell of frozen shrimps. (C) 2003 Elsevier Science Ltd. All rights reserved....

  6. Constraining f(T) gravity in the Solar System

    Energy Technology Data Exchange (ETDEWEB)

    Iorio, Lorenzo [Ministero dell' Istruzione dell' Università e della Ricerca (M.I.U.R), Viale Unità di Italia 68, 70125 Bari (Italy); Radicella, Ninfa [Dipartimento di Fisica E.R. Caianiello, Università di Salerno, Via Giovanni Paolo II 132, Fisciano (Italy); Ruggiero, Matteo Luca, E-mail: lorenzo.iorio@libero.it, E-mail: ninfa.radicella@sa.infn.it, E-mail: matteo.ruggiero@polito.it [DISAT, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino (Italy)

    2015-08-01

    In the framework of f(T) theories of gravity, we solve the field equations for f(T)=T+α T{sup n} in the weak-field approximation and for spherical symmetry spacetime. Since f(T)=T corresponds to Teleparallel Gravity, which is equivalent to General Relativity, the non linearity of the Lagrangian are expected to produce perturbations of the general relativistic solutions, parameterized by α. Hence, we use the f(T) solutions to model the gravitational field of the Sun and exploit data from accurate radio-tracking of spacecrafts orbiting Mercury and Saturn to infer preliminary bounds on the model parameter α and on the cosmological constant Λ.

  7. Laser Spark Formamide Decomposition Studied by FT-IR Spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Ferus, Martin; Kubelík, Petr; Civiš, Svatopluk

    2011-01-01

    Roč. 115, č. 44 (2011), s. 12132-12141 ISSN 1089-5639 R&D Projects: GA AV ČR IAA400400705; GA AV ČR IAAX00100903; GA ČR GAP208/10/2302 Institutional research plan: CEZ:AV0Z40400503 Keywords : FT-IR spectroscopy * high-power laser * induced dielectric-breakdown Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011

  8. Generalized Noether symmetry in f(T) gravity

    International Nuclear Information System (INIS)

    Mohseni Sadjadi, H.

    2012-01-01

    We consider modified teleparallel gravity (f(T) gravity), as a framework to explain the present accelerated expansion of the universe. The matter component is assumed to be cold dark matter. To find the explicit form of the function f, we utilize generalized Noether theorem and use generalized vector fields as variational symmetries of the corresponding Lagrangian. We study the cosmological consequences of the obtained results.

  9. Wormholes in a viable f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Jamil, Mubasher [National University of Sciences and Technology (NUST), Center for Advanced Mathematics and Physics (CAMP), Islamabad (Pakistan); Eurasian National University, Eurasian International Center for Theoretical Physics, Astana (Kazakstan (Kazakhstan)); Momeni, Davood; Myrzakulov, Ratbay [Eurasian National University, Eurasian International Center for Theoretical Physics, Astana (Kazakstan (Kazakhstan))

    2013-01-15

    In this paper, we derive some new exact solutions of static wormholes in f(T) gravity. We discuss independent cases of the pressure components including isotropic and anisotropic pressure. Lastly we consider radial pressure satisfying a barotropic equation of state. We also check the behavior of null energy condition (NEC) for each case and observe that it is violated for the anisotropic case, while it is satisfied for isotropic and barotropic cases. (orig.)

  10. Technology development for iron F-T catalysts. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Frame, R.R.; Gala, H.B.

    1994-08-01

    The objectives of this work were twofold. The first objective was to design and construct a pilot plant for preparing precipitated iron oxide F-T precursors and demonstrate that the rate of production from this plant is equivalent to 100 lbs/day of dried metal oxide. Secondly, these precipitates were to be used to prepare catalysts capable of achieving 88% CO + H{sub 2} conversion with {le} 5 mole percent selectivity to methane + ethane.

  11. Review of log ft values in β decay

    International Nuclear Information System (INIS)

    Singh, B.; Rodriguez, J.L.; Wong, S.S.M.; Tuli, J.K.

    1998-01-01

    The log ft values for all β decay branches (β-, β+, ε) have been retrieved from the Evaluated Nuclear Structure Data File (ENSDF--August 1997 version) and reviewed. Only those cases where the β transition occurs between levels of firmly assigned Jπ values (consistent with strong rules for Jπ assignments as given in policies of Nuclear Data Sheets), have been considered in this review. Weak β branches (≤1%) in complex decay schemes have been omitted. Some new values from recent literature have also been added. Out of a total of about 20,000 β transitions reported in ENSDF, about 3,900 are presented in this review. A similar complete review was last done by 63G1ZZ where about 900 transitions were considered, which included weak transitions as well as those between levels of tentative jπ assignments. The ft values in β decay, spanning about 21 orders of magnitude, have been classified into allowed and forbidden categories according to the classification scheme of Konopinski (43Ko08). Centroid, width, minimum and maximum values for each category have been calculated here. Lower limits for first and second forbidden transitions in the present review have been compared to those given in the review by Raman and Gove (73Ra10) which contained about 160 selected log ft values

  12. Thermodynamics and cosmological reconstruction in f(T , B) gravity

    Science.gov (United States)

    Bahamonde, Sebastian; Zubair, M.; Abbas, G.

    2018-03-01

    Recently, it was formulated a teleparallel theory called f(T , B) gravity which connects both f(T) and f(R) under suitable limits. In this theory, the function in the action is assumed to depend on the torsion scalar T and also on a boundary term related with the divergence of torsion, B = 2∇μTμ. In this work, we study different features of a flat Friedmann-Lemaître-Robertson-Walker (FLRW) cosmology in this theory. First, we show that the FLRW equations can be transformed to the form of Clausius relation TˆhSeff = - dE + WdV, where Tˆh is the horizon temperature and Seff is the entropy which contains contributions both from horizon entropy and an additional entropy term introduced due to the non-equilibrium. We also formulate the constraint for the validity of the generalised second law of thermodynamics (GSLT). Additionally, using a cosmological reconstruction technique, we show that both f(T , B) and - T + F(B) gravity can mimic power-law, de-Sitter and ΛCDM models. Finally, we formulate the perturbed evolution equations and analyse the stability of some important cosmological solutions.

  13. Cu-67 Photonuclear Production

    Science.gov (United States)

    Starovoitova, Valeriia; Foote, Davy; Harris, Jason; Makarashvili, Vakhtang; Segebade, Christian R.; Sinha, Vaibhav; Wells, Douglas P.

    2011-06-01

    Cu-67 is considered as one of the most promising radioisotopes for cancer therapy with monoclonal antibodies. Current production schemes using high-flux reactors and cyclotrons do not meet potential market need. In this paper we discuss Cu-67 photonuclear production through the reaction Zn-68(γ,p)Cu-67. Computer simulations were done together with experiments to study and optimize Cu-67 yield in natural Zn target. The data confirms that the photonuclear method has potential to produce large quantities of the isotope with sufficient purity to be used in medical field.

  14. FT-Raman and FT-Infrared investigations of archaeological artefacts from Foeni Neolithic site (Banat, Romania

    Directory of Open Access Journals (Sweden)

    Simona Cîntă Pînzaru

    2008-08-01

    Full Text Available An impressive collection of chert artefacts from the Foeni Neolithic archaeological site (Timiş County, Banat region, Romania is hosted by the Banat Museum in Timişoara. A representative set of seven specimens was non-destructively investigated using FT-Raman and ATR-FT-IR spectroscopy. The research was carried out for checking if these readily-available, non-destructive, fast, and cheap methods, which do not require preliminary sample preparation could provide significant information for characterizing the mineral composition of chert artefacts. Based on vibrational data, it was confirmed that the raw material was represented by microcrystalline quartz and moganite, with local concentrations of accessory minerals (calcite, dolomite, and clay minerals. In spite of their wide macroscopic heterogeneity (colour, transparency, based on single point FT-Raman measurements the chert artefacts could not be assigned to distinctive groups of raw silica materials, in order to provide specific arguments for provenance studies. However, the presence of specific accessory minerals (dolomite, illite pointed to distinctive genetic conditions in the case of one lithic material. Sets of measurements (mapping are required for statistically characterizing each artefact specimen. IR data were less significant, due to the rough surface texture of the specimens in contact with the ZnSe crystal of the ATR-FT-IR module. However, illite was identified based solely on its contribution to the IR spectrum. This pioneering study on chert artefacts from Romania based on optical spectroscopic methods shows that there are good premises for a systematic investigation of highly-valuable museum collections, in particular in terms of chert geology.

  15. VT 10 ft Contour Lines generated from bare earth lidar - Chittenden

    Data.gov (United States)

    Vermont Center for Geographic Information — (Link to Metadata) ElevationContours_CN10T (10ft contours) was extracted from ElevationContours_CN2T (2ft contours), which was generated by USGS from the 2004...

  16. Fourier Transform Infrared Spectroscopy: Part II. Advantages of FT-IR.

    Science.gov (United States)

    Perkins, W. D.

    1987-01-01

    This is Part II in a series on Fourier transform infrared spectroscopy (FT-IR). Described are various advantages of FT-IR spectroscopy including energy advantages, wavenumber accuracy, constant resolution, polarization effects, and stepping at grating changes. (RH)

  17. Thermochemical process for recovering Cu from CuO or CuO.sub.2

    Science.gov (United States)

    Richardson, deceased, Donald M.; Bamberger, Carlos E.

    1981-01-01

    A process for producing hydrogen comprises the step of reacting metallic Cu with Ba(OH).sub.2 in the presence of steam to produce hydrogen and BaCu.sub.2 O.sub.2. The BaCu.sub.2 O.sub.2 is reacted with H.sub.2 O to form Cu.sub.2 O and a Ba(OH).sub.2 product for recycle to the initial reaction step. Cu can be obtained from the Cu.sub.2 O product by several methods. In one embodiment the Cu.sub.2 O is reacted with HF solution to provide CuF.sub.2 and Cu. The CuF.sub.2 is reacted with H.sub.2 O to provide CuO and HF. CuO is decomposed to Cu.sub.2 O and O.sub.2. The HF, Cu and Cu.sub.2 O are recycled. In another embodiment the Cu.sub.2 O is reacted with aqueous H.sub.2 SO.sub.4 solution to provide CuSO.sub.4 solution and Cu. The CuSO.sub.4 is decomposed to CuO and SO.sub.3. The CuO is decomposed to form Cu.sub.2 O and O.sub.2. The SO.sub.3 is dissolved to form H.sub.2 SO.sub.4. H.sub.2 SO.sub.4, Cu and Cu.sub.2 O are recycled. In another embodiment Cu.sub.2 O is decomposed electrolytically to Cu and O.sub.2. In another aspect of the invention, Cu is recovered from CuO by the steps of decomposing CuO to Cu.sub.2 O and O.sub.2, reacting the Cu.sub.2 O with aqueous HF solution to produce Cu and CuF.sub.2, reacting the CuF.sub.2 with H.sub.2 O to form CuO and HF, and recycling the CuO and HF to previous reaction steps.

  18. Coordination equilibria in the complex formation of guanylurea with Cu

    Indian Academy of Sciences (India)

    Wintec

    puter program SCOGS,9 run on a Pentium-4 com- puter. Refined values of the constants (table 1) corresponding to the minimum standard deviations were accepted for ..... nar CuII complexes with amino acids and small pep- tide ligands can be tentatively assigned from the shift of the absorption maxima of CuII in such com-.

  19. Promoting flowering, lateral shoot outgrowth, leaf development, and flower abscission in tobacco plants overexpressing cotton FLOWERING LOCUS T (FT)-like gene GhFT1.

    Science.gov (United States)

    Li, Chao; Zhang, Yannan; Zhang, Kun; Guo, Danli; Cui, Baiming; Wang, Xiyin; Huang, Xianzhong

    2015-01-01

    FLOWERING LOCUS T (FT) encodes a mobile signal protein, recognized as major component of florigen, which has a central position in regulating flowering, and also plays important roles in various physiological aspects. A mode is recently emerging for the balance of indeterminate and determinate growth, which is controlled by the ratio of FT-like and TERMINAL FLOWER 1 (TFL1)-like gene activities, and has a strong influence on the floral transition and plant architecture. Orthologs of GhFT1 was previously isolated and characterized from Gossypium hirsutum. We demonstrated that ectopic overexpression of GhFT1 in tobacco, other than promoting flowering, promoted lateral shoot outgrowth at the base, induced more axillary bud at the axillae of rosette leaves, altered leaf morphology, increased chlorophyll content, had higher rate of photosynthesis and caused flowers abscission. Analysis of gene expression suggested that flower identity genes were significantly upregulated in transgenic plants. Further analysis of tobacco FT paralogs indicated that NtFT4, acting as flower inducer, was upregulated, whereas NtFT2 and NtFT3 as flower inhibitors were upregulated in transgenic plants under long-day conditions, but downregulated under short-day conditions. Our data suggests that sufficient level of transgenic cotton FT might disturb the balance of the endogenous tobacco FT paralogs of inducers and repressors and resulted in altered phenotype in transgenic tobacco, emphasizing the expanding roles of FT in regulating shoot architecture by advancing determine growth. Manipulating the ratio for indeterminate and determinate growth factors throughout FT-like and TFL1-like gene activity holds promise to improve plant architecture and enhance crop yield.

  20. Analysis of a Brazilian baroque sculpture using Raman spectroscopy and FT-IR.

    Science.gov (United States)

    Freitas, Renato P; Ribeiro, Iohanna M; Calza, Cristiane; Oliveira, Ana L; Felix, Valter S; Ferreira, Douglas S; Pimenta, André R; Pereira, Ronaldo V; Pereira, Marcelo O; Lopes, Ricardo T

    2016-02-05

    In this study, samples were taken from the sculpture of Our Lady of Sorrows and analyzed by Raman spectroscopy and FT-IR. This sculpture has been dated to the early eighteenth century. Samples were also examined using optical microscopy and Energy Dispersive Spectroscopy (EDS). Based on chemical analysis, the pigments vermilion [HgS], massicot [PbO] and azurite [Cu3(CO3)2(OH)2]were found in the sculpture polychrome. The results indicate that the green polychrome of the sculpture's mantle comes from the blending of massicot and azurite. Because the literature reports that the mantle of the Our Lady of Sorrows sculpture is blue, the mixing of these pigments results from a production error. The results also indicate the presence of Au in the sculpture, which indicates the originality of the piece. The results from this study helped restorers to choose the appropriate procedures for intervening in the sculpture and contributed to the knowledge about the manufacturing process of Brazilian baroque sculptures. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Analysis of a Brazilian baroque sculpture using Raman spectroscopy and FT-IR

    Science.gov (United States)

    Freitas, Renato P.; Ribeiro, Iohanna M.; Calza, Cristiane; Oliveira, Ana L.; Felix, Valter S.; Ferreira, Douglas S.; Pimenta, André R.; Pereira, Ronaldo V.; Pereira, Marcelo O.; Lopes, Ricardo T.

    2016-02-01

    In this study, samples were taken from the sculpture of Our Lady of Sorrows and analyzed by Raman spectroscopy and FT-IR. This sculpture has been dated to the early eighteenth century. Samples were also examined using optical microscopy and Energy Dispersive Spectroscopy (EDS). Based on chemical analysis, the pigments vermilion [HgS], massicot [PbO] and azurite [Cu3(CO3)2(OH)2] were found in the sculpture polychrome. The results indicate that the green polychrome of the sculpture's mantle comes from the blending of massicot and azurite. Because the literature reports that the mantle of the Our Lady of Sorrows sculpture is blue, the mixing of these pigments results from a production error. The results also indicate the presence of Au in the sculpture, which indicates the originality of the piece. The results from this study helped restorers to choose the appropriate procedures for intervening in the sculpture and contributed to the knowledge about the manufacturing process of Brazilian baroque sculptures.

  2. Chamomile flower extract-directed CuO nanoparticle formation for its antioxidant and DNA cleavage properties

    International Nuclear Information System (INIS)

    Duman, Fatih; Ocsoy, Ismail; Kup, Fatma Ozturk

    2016-01-01

    In this study, we report the synthesis of copper oxide nanoparticles (CuO NPs) using a medicinal plant (Matricaria chamomilla) flower extract as both reducing and capping agent and investigate their antioxidant activity and interaction with plasmid DNA (pBR322).The CuO NPs were characterized using Uv–Vis spectroscopy, FT-IR (Fourier transform infrared spectroscopy), DLS (dynamic light scattering), XRD (X-ray diffraction), EDX (energy-dispersive X-ray) spectroscopy and SEM (scanning electron microscopy). The CuO NPs exhibited nearly mono-distributed and spherical shapes with diameters of 140 nm size. UV–Vis absorption spectrum of CuO NPs gave a broad peak around 285 and 320 nm. The existence of functional groups on the surface of CuO NPs was characterized with FT-IR analysis. XRD pattern showed that the NPs are in the form of a face-centered cubic crystal. Zeta potential value was measured as − 20 mV due to the presence of negatively charged functional groups in plant extract. Additionally, we demonstrated concentration-dependent antioxidant activity of CuO NPs and their interaction with plasmid DNA. We assumed that the CuO NPs both cleave and break DNA double helix structure. - Highlights: • The synthesis of microwave assisted green synthesis of CuO nanoparticles • The synthesized nanoparticles were analyzed by FT-IR, DLS, XRD, EDX and SEM. • Concentration-dependent antioxidant activity of CuO NPs was determined. • CuO NPs cause both cleavage in the DNA double helix structure and breaks as well.

  3. Chamomile flower extract-directed CuO nanoparticle formation for its antioxidant and DNA cleavage properties

    Energy Technology Data Exchange (ETDEWEB)

    Duman, Fatih, E-mail: fduman@erciyes.edu.tr [Erciyes University, Science Faculty, Biology Department, Kayseri 38039, Kayseri (Turkey); Ocsoy, Ismail [Department of Analytical Chemistry, Faculty of Pharmacy, Erciyes University, 38039, Kayseri (Turkey); Erciyes University, Nanotechnology Research Center, 38039, Kayseri (Turkey); Kup, Fatma Ozturk [Erciyes University, Science Faculty, Biology Department, Kayseri 38039, Kayseri (Turkey)

    2016-03-01

    In this study, we report the synthesis of copper oxide nanoparticles (CuO NPs) using a medicinal plant (Matricaria chamomilla) flower extract as both reducing and capping agent and investigate their antioxidant activity and interaction with plasmid DNA (pBR322).The CuO NPs were characterized using Uv–Vis spectroscopy, FT-IR (Fourier transform infrared spectroscopy), DLS (dynamic light scattering), XRD (X-ray diffraction), EDX (energy-dispersive X-ray) spectroscopy and SEM (scanning electron microscopy). The CuO NPs exhibited nearly mono-distributed and spherical shapes with diameters of 140 nm size. UV–Vis absorption spectrum of CuO NPs gave a broad peak around 285 and 320 nm. The existence of functional groups on the surface of CuO NPs was characterized with FT-IR analysis. XRD pattern showed that the NPs are in the form of a face-centered cubic crystal. Zeta potential value was measured as − 20 mV due to the presence of negatively charged functional groups in plant extract. Additionally, we demonstrated concentration-dependent antioxidant activity of CuO NPs and their interaction with plasmid DNA. We assumed that the CuO NPs both cleave and break DNA double helix structure. - Highlights: • The synthesis of microwave assisted green synthesis of CuO nanoparticles • The synthesized nanoparticles were analyzed by FT-IR, DLS, XRD, EDX and SEM. • Concentration-dependent antioxidant activity of CuO NPs was determined. • CuO NPs cause both cleavage in the DNA double helix structure and breaks as well.

  4. Metal Clustering and Solvation in Hydrothermal Steam: FT-MS, IRMPD, and Quantum Chemical Studies.

    Science.gov (United States)

    Lemke, K.

    2016-12-01

    FT-mass spectrometry in combination with wave tunable IRMPD spectroscopy can be used to probe the speciation of metals in aqueous media [1], and, in particular, shed light on clustering and solvation processes that occur in low-density aqueous fluids close to and on the Earth's surface [2]. In order to probe the structure of the solvation envelope around geochemicially important molecular ions, we have begun to survey a range of representative metal clusters of the form [Mn(ClO4)2n-1]+(H2O)m, (M=Mn, Ni, Cu, Co, Zn) using a combination of SWIFT mass isolation and wave tunable IR techniques. Ion cluster experiments have been conducted on a modified FT-ICR mass spectrometer coupled to a Nd:YAG pumped OPO/OPA laser; for example, ESI FT-MS of dilute (0.5 mM) aqueous Ni(ClO4)2 yields ion signals at m/z 452 (m=2), 470 (m=3), 488 (m=4) and 506 (m=5) due to clusters of the form [Ni2(ClO4)3]+(H2O)m with up to 5 waters, and larger trinuclear clusters at m/z 726, i.e. [Ni3(ClO4)5]+(H2O)3 and m/z 744, i.e.[Ni3(ClO4)5]+(H2O)4. Following mass isolation and IRMPD of Ni2(ClO4)3]+(H2O)4 at m/z 488, there is clear spectroscopic evidence for strongly red-shifted water OH stretching modes because of hydrogen bonding. Assignment of individual IR bands in Ni2(ClO4)3]+(H2O)4 was achieved by using a swarm based optimization algorithm and anharmonic DFT and MP2 calculations. Infrared spectral assignment could be made by assuming that two H2O molecules bind to each Ni center in two structurally distinct but isoenergetic Ni2(ClO4)3]+(H2O)4 clusters. In the case of Ni2(ClO4)3]+(H2O)4, the two lowest energy structures predicted by theory have all 4 water molecules bound into the first solvation shell, in other words, the strongly red-shifted OH stretching bands below 3590 cm-1 are due to asym. and sym. OH stretching modes of water moleculess directly bound to nickel and perchlorate O. These new FT-MS and IRMPD data together with results from IR spectral simulations of [Nin(ClO4)2n-1]+(H2O

  5. FT Raman microscopy of untreated natural plant fibres

    Science.gov (United States)

    Edwards, H. G. M.; Farwell, D. W.; Webster, D.

    1997-11-01

    The application of FT-Raman microscopy to the non-destructive analysis of natural plant fibres is demonstrated with samples of flax, jute, ramie, cotton, kapok, sisal and coconut fibre. Vibrational assignments are proposed and characteristic features of each material are presented. Samples were not pre-treated chemically before analysis and were used directly from their respective storage collection; the adaptation of the Raman microscopic technique to the identification of specimens of natural fibres in archaeological burial sites is explored for its forensic potential.

  6. Result interpretation of experimental calibration for milk citric acid determination via infra-red spectroscopy (MIR-FT

    Directory of Open Access Journals (Sweden)

    Oto Hanuš

    2009-01-01

    Full Text Available Citric acid (KC in milk is indicator of cow energy metabolism. Milk laboratories set up KC determination. A method can be infra-red analyse (MIR-FT. The goal was to develop a relevant method for reference sample preparation for MIR-FT (indirect method, Lactoscope FTIR and MilkoScan FT 6000 calibration. As reference was used a photometric method (c; 428 nm. KC was added (n = 3 into some re­fe­ren­ce milk samples (n = 10, bulk milk. Mean value was 9.220 ± 3.094 mmol . l−1 with variation range from 6.206 to 15.975 mmol . l−1. Recovery c was from 100.8 to 120.2 %. Correlation between c and ­MIR-FT were from 0.979 to 0.992 (P < 0.001. These were lower in the set of native milk samples (n = 7, from 0.751 (Lactoscope FTIR; P < 0.05 to 0.947 (MilkoScan FT 6000; P < 0.001 in comparison to original va­lues from 0.981 to 0.992 (n = 10; P < 0.001. Correlations between calibrated MIR-FT instruments were from 0.958 to 1.0 (P < 0.001. Average recovery for instruments (n = 12 was 101.6 ± 18.1 %. The mean differences between c method and MIR-FT after calibration (n = 4 moved from −0.001 across zero to 0.037 %. Standard deviation of differences was from 0.0074 to 0.0187 % at MilkoScan FT 6000 and from 0.0105 to 0.0117 % for Lactoscope FTIR. Relative variability of differences (MIR-F (filter technology and FT for major components fat (T, proteins (B and lactose (L in total and minor components KC and free fatty acids (VMK was estimated to 1.0 and 7.2 and 34.4 %. The KC result is inferior than T, B and L superior than VMK. Autocorrelation (0.042; P > 0.05 of results demonstrated the in­de­pen­den­ce of consecutive measurements. Milk preservation effect amounted 0.2323 (P < 0.001 with bronopol and 0.0339 (P > 0.05 mmol . l−1 with dichromate. It was (3.0 and 0.44 % practically negligible, redeemable via relevant calibration. The results of proficiency testing in post-calibration period and evaluation of double

  7. Molecular characterization and comparison of shale oils generated by different pyrolysis methods using FT-ICR mass spectrometry

    Science.gov (United States)

    Jin, J.M.; Kim, S.; Birdwell, J.E.

    2011-01-01

    Fourier transform ion cyclotron resonance mass spectrometry (FT ICR-MS) was applied in the analysis of shale oils generated using two different pyrolysis systems under laboratory conditions meant to simulate surface and in situ oil shale retorting. Significant variations were observed in the shale oils, particularly the degree of conjugation of the constituent molecules. Comparison of FT ICR-MS results to standard oil characterization methods (API gravity, SARA fractionation, gas chromatography-flame ionization detection) indicated correspondence between the average Double Bond Equivalence (DBE) and asphaltene content. The results show that, based on the average DBE values and DBE distributions of the shale oils examined, highly conjugated species are enriched in samples produced under low pressure, high temperature conditions and in the presence of water.

  8. Cadastral PLSS Standardized Data - PLSSIntersected (Ft Sumner) - Version 1.1

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — This feature class is part of the Cadastral National Spatial Data Infrastructure (NSDI) CADNSDI publication data set for rectangular and non-rectangular Public Land...

  9. Optical and structural properties of CuO nanofilm: Its diode application

    Energy Technology Data Exchange (ETDEWEB)

    Erdogan, Ibrahim Y. [Bingoel University, Faculty of Sciences and Arts, Department of Chemistry, 12000 Bingoel (Turkey); Guellue, O., E-mail: omergullu@gmail.co [Batman University, Faculty of Sciences and Arts, Department of Physics, 72060 Batman (Turkey)

    2010-03-04

    The high crystalline CuO nanofilms have been prepared by spin coating and annealing combined with a simple chemical method. The obtained films have been characterized by X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-vis (UV-vis) spectroscopy and photoluminescence (PL) spectroscopy. Structural analysis results demonstrate that the single phase CuO on Si (1 0 0) substrate is of high a crystalline structure with a dominant in monoclinic (1 1 1) orientation. FT-IR results confirm the formation of pure CuO phase. UV-vis absorption measurements indicate that the band gap of the CuO films is 2.64 eV. The PL spectrum of the CuO films shows a broad emission band centered at 467 nm, which is consistent with absorption measurement. Also, Au/CuO/p-Si metal/interlayer/semiconductor (MIS) diodes have been fabricated. Electronic properties (current-voltage) of these structures were investigated. In addition, the interfacial state properties of the MIS diode were obtained. The interface-state density of the MIS diode was found to vary from 6.21 x 10{sup 12} to 1.62 x 10{sup 12} eV{sup -1} cm{sup -2}.

  10. Interacting dark energy models in f(T) gravity

    Science.gov (United States)

    Khurshudyan, M.; Myrzakulov, R.; Khurshudyan, As.

    2017-06-01

    The accelerated expansion of the large-scale universe can be explained in various ways. There are various modifications, and each of them makes an attempt to give its own explanation of the physics behind it. It is well known that modern cosmology is full of various phenomenological assumptions to obtain comprehensive results comparable with observational data. General Relativity is the main theory of gravity and proposed modifications compared to it, giving a hope to find explanations of phenomenological assumptions. f(T) theory of gravity is one of the options. In this paper, we will consider a particular example of f(T) theory and study the effects of various interactions on a cosmological model. Phase space analysis is used to have a qualitative understanding of the late-time behavior of the suggested cosmological models. During our study, we found that among phenomenological models suggested in this paper, we have cosmological models being in good agreement with the observational data. Moreover, study of the behavior of the deceleration parameter q showed a phase transition from a decelerated expanding universe to the accelerated (recent) expanding universe. On the other hand, for the parameters of the models giving the mentioned phase transition, we have estimated the present day values of statefinder parameters (r, s).

  11. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation on 1-phenyl-2-nitropropene by quantum computational calculations.

    Science.gov (United States)

    Xavier, S; Periandy, S

    2015-01-01

    In this paper, the spectral analysis of 1-phenyl-2-nitropropene is carried out using the FTIR, FT Raman, FT NMR and UV-Vis spectra of the compound with the help of quantum mechanical computations using ab-initio and density functional theories. The FT-IR (4000-400 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectra were recorded in solid phase, the (1)H and (13)C NMR spectra were recorded in CDCl3 solution phase and the UV-Vis (200-800 nm) spectrum was recorded in ethanol solution phase. The different conformers of the compound and their minimum energies are studied using B3LYP functional with 6-311+G(d,p) basis set and two stable conformers with lowest energy were identified and the same was used for further computations. The computed wavenumbers from different methods are scaled so as to agree with the experimental values and the scaling factors are reported. All the modes of vibrations are assigned and the structure the molecule is analyzed in terms of parameters like bond length, bond angle and dihedral angle predicted by both B3LYP and B3PW91 methods with 6-311+G(d,p) and 6-311++G(d,p) basis sets. The values of dipole moment (μ), polarizability (α) and hyperpolarizability (β) of the molecule are reported, using which the non-linear property of the molecule is discussed. The HOMO-LUMO mappings are reported which reveals the different charge transfer possibilities within the molecule. The isotropic chemical shifts predicted for (1)H and (13)C atoms using gauge invariant atomic orbital (GIAO) theory show good agreement with experimental shifts. NBO analysis is carried out to picture the charge transfer between the localized bonds and lone pairs. The local reactivity of the molecule has been studied using the Fukui function. The thermodynamic properties (heat capacity, entropy and enthalpy) at different temperatures are also calculated. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Data preprocessing methods of FT-NIR spectral data for the classification cooking oil

    Science.gov (United States)

    Ruah, Mas Ezatul Nadia Mohd; Rasaruddin, Nor Fazila; Fong, Sim Siong; Jaafar, Mohd Zuli

    2014-12-01

    This recent work describes the data pre-processing method of FT-NIR spectroscopy datasets of cooking oil and its quality parameters with chemometrics method. Pre-processing of near-infrared (NIR) spectral data has become an integral part of chemometrics modelling. Hence, this work is dedicated to investigate the utility and effectiveness of pre-processing algorithms namely row scaling, column scaling and single scaling process with Standard Normal Variate (SNV). The combinations of these scaling methods have impact on exploratory analysis and classification via Principle Component Analysis plot (PCA). The samples were divided into palm oil and non-palm cooking oil. The classification model was build using FT-NIR cooking oil spectra datasets in absorbance mode at the range of 4000cm-1-14000cm-1. Savitzky Golay derivative was applied before developing the classification model. Then, the data was separated into two sets which were training set and test set by using Duplex method. The number of each class was kept equal to 2/3 of the class that has the minimum number of sample. Then, the sample was employed t-statistic as variable selection method in order to select which variable is significant towards the classification models. The evaluation of data pre-processing were looking at value of modified silhouette width (mSW), PCA and also Percentage Correctly Classified (%CC). The results show that different data processing strategies resulting to substantial amount of model performances quality. The effects of several data pre-processing i.e. row scaling, column standardisation and single scaling process with Standard Normal Variate indicated by mSW and %CC. At two PCs model, all five classifier gave high %CC except Quadratic Distance Analysis.

  13. FTIR, FT-Raman, FT-NMR, UV-visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole.

    Science.gov (United States)

    Arjunan, V; Sakiladevi, S; Rani, T; Mythili, C V; Mohan, S

    2012-03-01

    The FT-IR (4000-400 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectral measurements and complete assignments of the observed spectra of 2-amino-4-methylbenzothiazole (2A4MBT) have been proposed. Ab initio and DFT calculations have been performed and the structural parameters of the compound were determined from the optimised geometry with 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO, LUMO and band gap energies were measured by time-dependent DFT (TD-DFT) approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the available experimental data of the molecule. The influences of methyl and amino groups on the skeletal modes and on the proton chemical shifts have been investigated. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Do TSH, FT3, and FT4 Impact BAT Visualization of Clinical FDG-PET/CT Images?

    Science.gov (United States)

    Nishii, Ryuichi; Nagamachi, Shigeki; Mizutani, Youichi; Terada, Tamasa; Kiyohara, Syogo; Wakamatsu, Hideyuki; Fujita, Seigo; Higashi, Tatsuya; Yoshinaga, Keiichiro; Saga, Tsuneo; Hirai, Toshinori

    2018-01-01

    We retrospectively analyzed activated BAT visualization on FDG-PET/CT in patients with various conditions and TH levels to clarify the relationships between visualization of BAT on FDG-PET/CT and the effect of TH. Patients who underwent clinical FDG-PET/CT were reviewed and we categorized patients into 5 groups: (i) thyroid hormone withdrawal (THW) group; (ii) recombinant human thyrotropin (rhTSH) group; (iii) hypothyroidism group; (iv) hyperthyroidism group; and (v) BAT group. A total of sixty-two FDG-PET/CT imaging studies in fifty-nine patients were performed. To compare each group, gender; age; body weight; serum TSH, FT3, and FT4 levels; and outside temperature were evaluated. No significant visualization of BAT was noted in any of the images in the THW, rhTSH, hypothyroidism, and hyperthyroidism groups. All patients in the BAT group were in a euthyroid state. When the BAT-negative and BAT-positive patient groups were compared, it was noted that the minimum and maximum temperature on the day of the PET study and maximum temperature of the one day before the PET study were significantly lower in BAT-positive group than in all those of other groups. Elevated TSH condition before RIT, hyperthyroidism, or hypothyroidism did not significantly impact BAT visualization of clinical FDG-PET/CT images.

  15. Hydrogenated fullerenes in space: FT-IR spectra analysis

    International Nuclear Information System (INIS)

    El-Barbary, A. A.

    2016-01-01

    Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

  16. Galactic Halo Wormhole Solutions in f(T Gravity

    Directory of Open Access Journals (Sweden)

    M. Sharif

    2014-01-01

    Full Text Available The proposal of galactic halo region is based on the idea that dark halos contain some characteristics needed to support traversable wormhole solutions. We explore wormhole solutions in this region in the framework of generalized teleparallel gravity. We consider static spherically symmetric wormhole spacetime with flat galactic rotational curves and obtain expressions of matter components for nondiagonal tetrad. The effective energy-momentum tensor leads to the violation of energy conditions which may impose condition on the normal matter to satisfy these conditions. We take two well-known f(T models in exponential and logarithmic forms to discuss wormhole solutions as well as the equilibrium condition. It is concluded that wormhole solutions violating weak energy condition are obtained for both models with stable configuration.

  17. Nanoparticles of the giant dielectric material, CaCu3Ti4O12 from a precursor route

    OpenAIRE

    Thomas, P.; Dwarakanath, K.; Varma, K. B. R.; Kutty, T. R. N.

    2013-01-01

    A method of preparing the nanoparticles of CaCu3Ti4O12 (CCTO) with the crystallite size varying from 30 to 200 nm is optimized at a temperature as low as 680 1C from the exothermic thermal decomposition of an oxalate precursor, CaCu3(TiO)4(C2O4)8 ? 9H2O. The phase singularity of the complex oxalate precursor is confirmed by the wet chemical analyses, X-ray diffraction, FT-IR and TGA,DTA analyses. The UV Vis reflectance and ESR spectra of CCTO powders indicate that the Cu(II) coordination chan...

  18. Validation of ATR FT-IR to identify polymers of plastic marine debris, including those ingested by marine organisms.

    Science.gov (United States)

    Jung, Melissa R; Horgen, F David; Orski, Sara V; Rodriguez C, Viviana; Beers, Kathryn L; Balazs, George H; Jones, T Todd; Work, Thierry M; Brignac, Kayla C; Royer, Sarah-Jeanne; Hyrenbach, K David; Jensen, Brenda A; Lynch, Jennifer M

    2018-02-01

    Polymer identification of plastic marine debris can help identify its sources, degradation, and fate. We optimized and validated a fast, simple, and accessible technique, attenuated total reflectance Fourier transform infrared spectroscopy (ATR FT-IR), to identify polymers contained in plastic ingested by sea turtles. Spectra of consumer good items with known resin identification codes #1-6 and several #7 plastics were compared to standard and raw manufactured polymers. High temperature size exclusion chromatography measurements confirmed ATR FT-IR could differentiate these polymers. High-density (HDPE) and low-density polyethylene (LDPE) discrimination is challenging but a clear step-by-step guide is provided that identified 78% of ingested PE samples. The optimal cleaning methods consisted of wiping ingested pieces with water or cutting. Of 828 ingested plastics pieces from 50 Pacific sea turtles, 96% were identified by ATR FT-IR as HDPE, LDPE, unknown PE, polypropylene (PP), PE and PP mixtures, polystyrene, polyvinyl chloride, and nylon. Published by Elsevier Ltd.

  19. 3D-FT MRI of the facial nerve

    International Nuclear Information System (INIS)

    Girard, N.; Raybaud, C.; Poncet, M.

    1994-01-01

    Contrast-enhanced 3D-FT MRI of the intrapetrous facial nerve was obtained in 38 patients with facial nerve disease, using a 1.0 T magnet and fast gradient-echo acquisition sequences. Contiguous millimetric sections were obtained, which could be reformatted in any desired plane. Acutely ill patients, were examined within the first 2 months, included: 24 with Bell's palsy and 6 with other acute disorders (Herpes zoster, trauma, neuroma, meningeal metastasis, middle ear granuloma). Six patients investigated more than a year after the onset of symptoms included 3 with congenital cholesteatoma, 2 with neuromas and one with a chronic Bell's palsy. The lesion was found incidentally in two cases (a suspected neurofibroma and a presumed drop metastasis from an astrocytoma). Patients with tumours had nodular, focally-enhancing lesions, except for the leptomeningeal metastasis in which the enhancement was linear. Linear, diffuse contrast enhancement of the facial nerve was found in trauma, and in the patient with a middle ear granuloma. Of the 24 patients with an acute Bell's palsy 15 exhibited linear contrast enhancement of the facial nerve. Three of these were lost to follow-up, but correlation of clinical outcome and contrast enhancement showed that only 4 of the 11 patients who made a complete recovery and all 10 patients with incomplete recovery demonstrated enhancement. Possible explanations for these findings are suggested by pathological data from the literature. 3D-FT imaging of the facial nerve thus yields direct information about the of the nerve condition and defines the morphological abnormalities. It can also demonstrate contrast enhancement which seems to have some prognostic value in acute idiopathic Bell's palsy. (orig.)

  20. FT-IR reflection spectra of single crystals: resolving phonons of different symmetry without using polarised radiation

    Directory of Open Access Journals (Sweden)

    METODIJA NAJDOSKI

    2000-07-01

    Full Text Available Fourier-transform infrared (FT-IR reflection spectra, asquired at nearnormal incidence, were recorded from single crystals belonging to six crystal systems: CsCr(SO42.12H2O (alum, cubic, K2CuCl2·2H2O (Mitscherlichite, tetragonal, CaCO3 (calcite, hexagonal, KHSO4 (mercallite, orthorhombic, CaSO4·2H2O (gypsum, monoclinic and CuSO4·5H2O (chalcantite, triclinic. The acquired IR reflection spectra were further transformed into absorption spectra, employing the Kramers-Kronig transformation. Except for the cubic alums, the spectra strongly depend on the crystal face from which they were recorded; this is a consequence of anisotropy. Phonons of a given symmetry (E-species, in tetragonal/hexagonal and B-species, in monoclinic crystals may be resolved without using a polariser. The spectrum may be simplified in the case of an orthorhombic crystal, as well. The longitudinal-optical (LO and transversal-optical (TO mode frequencies were calculated in the case of optically isotropic and the simplified spectra of optically uniaxial crystals.

  1. Atomic simulations of dislocation emission from Cu/Cu and Co/Cu grain boundaries

    International Nuclear Information System (INIS)

    Yuasa, Motohiro; Nakazawa, Takumi; Mabuchi, Mamoru

    2010-01-01

    Research highlights: → Co/Cu bicrystals have both E structures and stacking faults only in the Cu phase. → Dislocations tend to be emitted from the stacking faults in Co/Cu bicrystals. → Large disorder around the stacking faults accelerates the atomic shuffling. → Atomic shuffling behavior strongly affects dislocation emission in Co/Cu bicrystals. - Abstract: Molecular dynamics simulations of creep tests have been performed on Cu/Cu single-phase bicrystals and Co/Cu two-phase bicrystals to investigate the dislocation emission from grain boundaries. In the Co/Cu bicrystals, both E structures and stacking faults were generated only in the Cu grain near the boundary. Dislocations were emitted only from the stacking faults, not from the E structures, in the Co/Cu bicrystals. The stacking faults in the Co/Cu bicrystals did not necessarily enhance the dislocation emission as readily as those in the Cu/Cu bicrystals. The incoherence between Co and Cu gave rise to the complicated defect structures at and near the Co/Cu boundary, and thus distinctive atomic shuffling mechanisms occurred. This affected the dislocation emission behavior of the Co/Cu bicrystals.

  2. MPTS-silica coated capillary microextraction on line hyphenated with inductively coupled plasma atomic emission spectrometry for the determination of Cu, Hg and Pb in biological samples.

    Science.gov (United States)

    Zheng, Fei; Hu, Bin

    2007-09-15

    A novel sol-gel 3-mercaptopropyltrimethoxysilane (MPTS) modified silica coating was developed for capillary microextraction (CME) of trace Cu, Hg and Pb prior to their on line determination by inductively coupled plasma-atomic emission spectrometry (ICP-AES). This organic-inorganic hybrid coating was in situ created on the inner walls of fused silica capillary using a sol solution containing TMOS (tetramethoxysilane) as a precursor, MPTS as a co-precursor, ethanol as the solvent and hydrochloric acid as a catalyst. The structure of the capillary coating was characterized by FT-IR spectroscopy, Raman spectroscopy, SEM and TEM. The factors affecting on the capillary microextraction of analytes such as pH, sample flow rate and volume, elution solution and interfering ions had been investigated, and the optimized experimental parameters were obtained. Under the optimized conditions, the absorption capacity of MPTS-silica coated capillary was found to be 1.17, 1.96 and 1.19mugm(-1) for Cu, Hg and Pb, and the limits of detection were as low as 0.17 0.22 and 0.52ngmL(-1), respectively. With a sampling frequency of 12h(-1), the relative standard deviations (R.S.D.s) were 4.2, 2.6 and 3.8% (C=4ngmL(-1), n=7, sample volume=1mL) for Cu, Hg and Pb, respectively. The proposed method had been successfully applied to the determination of Cu, Hg and Pb in human urine, human serum and preserved egg. To validate the proposed method, certified reference materials of BCR151 milk powder, GBW07601 (GSH-1) human hair, GSBZ 50016-90 and GSB 07-1183-2000 water samples were analyzed and the determined values were in a good agreement with the certified values.

  3. Comparative spectral analysis of commercial fuel-ethanol blends using a low-cost prototype FT-Raman spectrometer

    Science.gov (United States)

    Ortega Clavero, Valentin; Weber, Andreas; Schröder, Werner; Meyrueis, Patrick; Javahiraly, Nicolas

    2012-06-01

    The use of bio-fuels and fuel blends, specially in automotive industry, has been increasing substantially in recent years due to market prices and trends on sustainable development policies. Different spectral analysis techniques for quality control, production, purity, and counterfeit detection have been reported as non-invasive, fast, and price accessible. Raman spectra from three different commercial binary E10 fuel-ethanol blends has been obtained by using a low-cost Fourier-Transform Raman spectrometer (FT-Raman). Qualitative comparison between the commercial fuel blends and a laboratory-prepared fuel blend have been performed. The characteristic Raman lines from some additives contained in the commercial gasoline have been also observed. The spectral information is presented in the range of 0 cm-1 to 3500 cm-1 with a resolution of 1.66 cm-1. These Raman spectra shows reduced frequency deviation (less than 0.4 cm-1 when compared to standard Raman spectra from cyclohexane and toluene without compensation for instrumental response). Higher resolution values are possible, since the greater optical path lengths of the FT-Raman are achievable before the instrumental physical effects appear. The robust and highly flexible FT-Raman prototype proposed for the spectral analysis, consisting mainly of a Michelson interferometer and a self-designed photon counter, is able to deliver high resolution and precise Raman spectra with no additional complex hardware or software control. The mechanical and thermal disturbances affecting the FT-Raman system are mathematically compensated by extracting the optical path information from the generated interference pattern of a λ=632.8 nm Helium-Neon laser (HeNe laser), which is used at the spectrum evaluation.

  4. Hvorfor akut kræft? Et bud på en epidemisk forståelse af tid og kræft-tendenser i Danmark

    DEFF Research Database (Denmark)

    Tørring, Marie Louise

    2014-01-01

    Artiklen tager udgangspunkt i den danske akut-kræft-agenda i nullerne, der kulminerede i 2007, hvor den danske regering og Danske Regioner indgik en aftale om akut handling og blandt andet indførte kræft-pakkerne. Aftalen beskrives ofte som en kolossal præstation og succeshistorie, og den udvikling......, der gik forud, omtales gerne som en forbrødring, en kulturændring, ja sågar et mirakel. Påstande om revolutioner og mirakler i det danske sundhedsvæsen rejser interessante antropologiske spørgsmål om kulturel fortid og kulturelle forskelle i måden at opfatte og behandle sygdomme på. Den danske akut-kræft-agenda...... kræft som akut sygdom i Danmark i nullerne? Analysen her peger på, at akut kræft i Danmark var resultatet af 1) en eksponentiel vækst i kræft-repræsentationer som overlevelsesestimater og ventetidsfrekvenser (øget digital tydelighed), 2) magtfulde minder om kræft, 3) øget levealder og 4) en kontekst af...

  5. Chamomile flower extract-directed CuO nanoparticle formation for its antioxidant and DNA cleavage properties.

    Science.gov (United States)

    Duman, Fatih; Ocsoy, Ismail; Kup, Fatma Ozturk

    2016-03-01

    In this study, we report the synthesis of copper oxide nanoparticles (CuO NPs) using a medicinal plant (Matricaria chamomilla) flower extract as both reducing and capping agent and investigate their antioxidant activity and interaction with plasmid DNA (pBR322).The CuO NPs were characterized using Uv-Vis spectroscopy, FT-IR (Fourier transform infrared spectroscopy), DLS (dynamic light scattering), XRD (X-ray diffraction), EDX (energy-dispersive X-ray) spectroscopy and SEM (scanning electron microscopy). The CuO NPs exhibited nearly mono-distributed and spherical shapes with diameters of 140 nm size. UV-Vis absorption spectrum of CuO NPs gave a broad peak around 285 and 320 nm. The existence of functional groups on the surface of CuO NPs was characterized with FT-IR analysis. XRD pattern showed that the NPs are in the form of a face-centered cubic crystal. Zeta potential value was measured as -20 mV due to the presence of negatively charged functional groups in plant extract. Additionally, we demonstrated concentration-dependent antioxidant activity of CuO NPs and their interaction with plasmid DNA. We assumed that the CuO NPs both cleave and break DNA double helix structure. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. The accurate localization of fluorescent nanoparticle Au–Ft in nu/nu mice kidney

    Directory of Open Access Journals (Sweden)

    Hui Yang

    2014-05-01

    Full Text Available Au–Ft, as a green synthesized nanoparticle, is composed of a ferritin nanocage enclosing a pair of Au nanoclusters inside. Our previous study has demonstrated that Au–Ft can be an excellent fluorescent probe for whole body imaging of mice with kidney specific targeting. But, the accurate localization of Au–Ft in kidney is still absent. In the current study, we detected and assessed the cellular and subcellular localization of Au–Ft in renal cortex and medulla of nu/nu mice after tail vein injection by using Nuance optical system (CRi, Woburn, USA and inForm intelligent image analysis software based on single cell segmentation. We obtained the fluorescence intensity and cellular location of kidney-targeting Au–Ft probe in particular cell of renal glomerulus or renal tubules, which provided valuable proofs to clarify the mechanism of Au–Ft selective enrichment in kidney and the associated metabolic processes.

  7. Monitoring lipase-catalyzed interesterification for bulky fats modification with FT-IR/NIR spectroscopy

    DEFF Research Database (Denmark)

    Chang, Tinghong; Lai, Xuxin; Zhang, Hong

    2005-01-01

    This work demonstrates the application of FT-IR and FT-NIR spectroscopy to monitor the enzymatic interesterification process for bulky fat modification. The reaction was conducted between palm stearin and coconut oil (70/30, w/w) with the catalysis of Lipozyme TL IM at 70°C in a batch reactor...... (PLS) regression. High correlations (r > 0.96) were obtained from cross validations of the data estimated by FT-IR, FT-NIRand above-mentioned conventional analytical methods, except for correlations (r = 0.90-0,95) between FT-IR and SFC profiles. Overall, FT-NIR spectroscopy coupled with transmission...... mode measured at 70 °C had the highest correlations which also had the most close conditions to the sampled products in the process, indicating a big potential to implement as online control for monitoring enzymatic interesterification process....

  8. Insilico molecular modeling, docking and spectroscopic [FT-IR/FT-Raman/UV/NMR] analysis of Chlorfenson using computational calculations.

    Science.gov (United States)

    Ramalingam, S; Periandy, S; Sugunakala, S; Prabhu, T; Bououdina, M

    2013-11-01

    In the present work, the recorded FT-IR/FT-Raman spectra of the Chlorfenson (4-Chorophenyl-4-chlorobenzenesulfonate) are analysed. The observed vibrational frequencies are assigned and the computational calculations are carried out by DFT (LSDA, B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results are investigated with the UV/NMR data. The fluctuation of structure of Chlorobenzenesulfonate due to the substitution of C6H4Cl is investigated. The vibrational sequence pattern of the molecule related to the substitutions is intensely analysed. Moreover, (13)C NMR and (1)H NMR chemical shifts are calculated by using the gage independent atomic orbital (GIAO) technique with HF/B3LYP/B3PW91 methods on same basis set. A study on the electronic properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, are performed by HF and DFT methods. The calculated energy of Kubo gap (HOMO and LUMO) ensures that the charge transfer occurs within the molecule. Besides frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP) is executed. NLO properties and Mulliken charges of the Chlorfenson is also calculated and interpreted. Biological properties like the target receptor identification, and Identification of interacting residues, of this compound is identified and analysed by using SWISSMODEL, Castp, Hex and Pdb Sum. By using these properties, the mechanism of action of this compound on ATP Synthase of Tetranychus urticae is found and it is very much useful to develop efficient pesticides having less toxic to the environment. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  9. DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid.

    Science.gov (United States)

    Karabacak, M; Kose, E; Sas, E B; Kurt, M; Asiri, A M; Atac, A

    2015-02-05

    The spectroscopic (FT-IR, FT-Raman, (1)H and (13)C NMR, UV-Vis), structural, electronic and thermodynamical properties of 3-fluorophenylboronic acid (C6H4FB(OH)2), 3FPBA) were submitted by using both experimental techniques and theoretical methods (quantum chemical calculations) in this work. The experimental infrared and Raman spectra were obtained in the region 4000-400 cm(-1) and 3500-10 cm(-1), respectively. The equilibrium geometry and vibrational spectra were calculated by using DFT (B3LYP) with 6-311++G(d,p) basis set. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. The total energy distributions (TED) of the vibrational modes were performed for the assignments of the title molecule by using scaled quantum mechanics (SQM) method. The NMR chemical shifts ((1)H and (13)C) were recorded in DMSO solution. The (1)H and (13)C NMR spectra were computed by using the gauge-invariant atomic orbital (GIAO) method, showing a good agreement with the experimental ones. The last one UV-Vis absorption spectra were analyzed in two solvents (ethanol and water), saved in the range of 200-400 nm. In addition these, HOMO and LUMO energies, the excitation energies, density of states (DOS) diagrams, thermodynamical properties and molecular electrostatic potential surface (MEPs) were presented. Nonlinear optical (NLO) properties and thermodynamic features were performed. The experimental results are combined with the theoretical calculations using DFT calculations to fortification of the paper. At the end of this work, the results were proved our paper had been indispensable for the literature backing. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Spectroscopic characterization of enzymatic flax retting: Factor analysis of FT-IR and FT-Raman data

    Science.gov (United States)

    Archibald, D. D.; Henrikssen, G.; Akin, D. E.; Barton, F. E.

    1998-06-01

    Flax retting is a chemical, microbial or enzymatic process which releases the bast fibers from the stem matrix so they can be suitable for mechanical processing before spinning into linen yarn. This study aims to determine the vibrational spectral features and sampling methods which can be used to evaluate the retting process. Flax stems were retted on a small scale using an enzyme mixture known to yield good retted flax. Processed stems were harvested at various time points in the process and the retting was evaluated by conventional methods including weight loss, color difference and Fried's test, a visual ranking of how the stems disintegrate in hot water. Spectroscopic measurements were performed on either whole stems or powders of the fibers that were mechanically extracted from the stems. Selected regions of spectra were baseline and amplitude corrected using a variant of the multiplicative signal correction method. Principal component regression and partial least-squares regression with full cross-validation were used to determine the spectral features and rate of spectral transformation by regressing the spectra against the retting time in hours. FT-Raman of fiber powders and FT-IR reflectance of whole stems were the simplest and most precise methods for monitoring the retting transformation. Raman tracks the retting by measuring the decrease in aromatic signal and subtle changes in the C-H stretching vibrations. The IR method uses complex spectral features in the fingerprint and carbonyl region, many of which are due to polysaccharide components. Both spectral techniques monitor the retting process with greater precision than the reference method.

  11. Hydrogen thermal reductive Cu nanowires in low temperature Cu-Cu bonding

    Science.gov (United States)

    Du, Li; Shi, Tielin; Su, Lei; Tang, Zirong; Liao, Guanglan

    2017-07-01

    Nanostructures have attracted great interest in interconnect applications. Herein, we present a novel low temperature, template-less method for directly preparing Cu nanowires through a hydrogen thermal decomposition-reduction route of Cu(OH)2  →  CuO  →  Cu. The thermal treatments are performed at relatively low temperatures of 180 °C-200 °C to meet the low thermal budget in the semiconductor industry. Cu(OH)2 nanowires are completely transformed into Cu nanowires and the morphologies of the nanowires are successfully preserved without shrinkage of volume and size. Sintering of Cu nanowires occurs at a low temperature of 400 °C in Ar ambient and 350 °C in H2 ambient, respectively. Based on this phenomenon, we innovatively apply the as-synthesized Cu nanowires in Cu-Cu bonding at 150 °C-400 °C. The bonded samples exhibit high shear strengths where Cu nanowires have transformed into Cu nanoparticles, mainly attributed to the enhanced atom diffusion with the existence of nanowires. The present work demonstrates the feasibility of hydrogen thermal reductive Cu nanowires in low temperature Cu-Cu bonding.

  12. /Cu-Al System

    Science.gov (United States)

    Kish, Orel; Froumin, Natalya; Aizenshtein, Michael; Frage, Nachum

    2014-05-01

    Wettability and interfacial interaction of the Ta2O5/Cu-Al system were studied. Pure Cu does not wet the Ta2O5 substrate, and improved spreading is achieved when relatively a high fraction of the active element (~40 at.% Al) was added. The Al2O3 and AlTaO4 phases were observed at the Ta2O5/Cu-Al interface. A thermodynamic evaluation allowed us to suggest that the lack of wetting bellow 40 at.% Al is due to the presence of a native oxide, which covers the drop. The conditions of the native oxide decomposition and the formation of the volatile Al2O suboxide strongly depend on the vacuum level during sessile drop experiments and the composition of the Cu-Al alloy. In our case, Al contents greater than 40% provides thermodynamic conditions for the formation of Al2O (as a result of Al reaction with Al2O3) and the drop spreading. It was suggested that the final contact angle in the Ta2O5/Cu-Al system (50°) is determined by Ta adsorption on the newly formed alumina interlayer.

  13. Spectral characterization of mechanically synthesized MoO3-CuO nanocomposite

    Science.gov (United States)

    Sundeep, Dola; Gopala Krishna, A.; Ravikumar, R. V. S. S. N.; Vijaya Kumar, T.; Daniel Ephraim, S.; Pavan, Y. L.

    2016-01-01

    In this work, MoO3-CuO metal oxide composite nanopowders are prepared by simple mechanochemical assisted synthesis technique with the stoichiometric weight ratios of MoO3 and CuO as 2.3:1 and 3.3:1, respectively. The structural and spectroscopic properties of the as-synthesised samples are characterised by XRD, SEM with EDS, FT-IR, Raman spectroscopy and TGA/DTA. X-ray diffraction pattern demonstrates the peaks correspond to orthorhombic phase of α-MoO3 and monoclinic phase of β-CuO. The average crystalline sizes of the 2.3:1 and 3.3:1 samples were found to be 16 and 24 nm, respectively, which are supported by Williamson-Hall (W-H) calculations. The correlations between the milling rotational speeds with morphological characteristics are revealed by the SEM images. The fundamental modes of Mo=O and Cu-O were analysed by FT-IR. Raman analysis has provided the qualitative information about the structure of the mixed oxide composite. Thermogravimetry analysis and Differential Thermal Analysis (DTA) of MoO3-CuO have revealed that the dual phase mixed oxide composite is stable up to 709 °C with a negligible weight loss. Based on the above, it can be inferred that the synthesised mixed lubricous oxide nanocomposite could be used as a solid lubricant at elevated temperatures.

  14. CdTe-Cu(OH)2 nanocomposite: Aqueous synthesis and characterization

    International Nuclear Information System (INIS)

    Abd El-sadek, M.S.; Moorthy Babu, S.

    2011-01-01

    CdTe-Cu(OH) 2 nanocomposites were synthesized in aqueous solution by a seed-mediated growth approach. The effect of refluxing time and the concentration of Cu 2+ on the preparation of these samples were measured using UV-visible absorption and photoluminescence analysis. The emission peak of the synthesized nanocomposites (CdTe-Cu(OH) 2 ) was shifted from 605 (CdTe seed) to 621 nm. The size of CdTe nanoparticles were averaged about 3.22 nm, and the CdTe-Cu(OH) 2 nanocomposites were averaged as 5.19 nm. The synthesized CdTe-Cu(OH) 2 nanocomposite were characterized with XRD, EDAX, TEM, FT-IR, EPR, and thermal analysis (TG/DTG curves). The results indicate that as-prepared nanoparticles with core/shell structure exhibit interesting optical properties. -- Graphical Abstract: Schematic of aqueous synthesis route for CdTe-Cu(OH) 2 nanocomposite and The Stokes shift of CdTe nanocrystals and CdTe-Cu(OH) 2 Nanocomposites, (CdTe: emission at 605 nm, CdTe-Cu(OH) 2 : emission at 621 nm). Display Omitted Highlights: → CdTe-Cu(OH) 2 nanocomposites were synthesized by a seed-mediated growth approach. → The synthetic procedure is simple, and can be easily scaled up. → The effect of refluxing time on the preparation of these samples was measured. → The Cu(OH) 2 shell thickness was controlled by the amount of Cu in the solution. → TEM images demonstrated homogeneous size distribution for these nanocomposites.

  15. FT-IR spectroscopic studies of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Salisbury, D.W.; Allen, J.E. Jr.; Donn, B.; Moore, W.J.; Khanna, R.K.

    1990-01-01

    Proper assessment of the hypothesis which correlates polycyclic aromatic hydrocarbons (PAHs) with the unidentified infrared emission bands requires additional experimental laboratory data. In order to address this need, thermal infrared emission studies were performed on a subset of PAHs suggested to be of astrophysical importance. It was proposed that infrared emission from interstellar PAHs occurs following absorption of an ultraviolet photon. Since energy transfer to the ground electronic state can be rapid for a species in which intersystem crossing is negligible, the emission spectrum may be viewed as resulting from an equilibrium vibrational temperature (Leger and d'Hendecourt, 1987). This has been the basis for using infrared absorption spectra to calculate the corresponding emission spectra at various temperatures. These calculations were made using room temperature infrared absorption coefficients instead of those at the temperature of interest because of the latter's unavailability. The present studies are designed to address the differences between the calculated and experimental thermal emission spectra and to provide information which will be useful in future ultraviolet induced infrared fluorescence studies. The emission spectra have been obtained for temperatures up to 825K using an emission cell designed to mount against an external port of an FT-IR spectrometer. These spectra provide information concerning relative band intensities and peak positions which is unavailable from previous calculations

  16. Statistical analysis of the Ft. Calhoun reactor coolant pump system

    International Nuclear Information System (INIS)

    Heising, Carolyn D.

    1998-01-01

    In engineering science, statistical quality control techniques have traditionally been applied to control manufacturing processes. An application to commercial nuclear power plant maintenance and control is presented that can greatly improve plant safety. As a demonstration of such an approach to plant maintenance and control, a specific system is analyzed: the reactor coolant pumps (RCPs) of the Ft. Calhoun nuclear power plant. This research uses capability analysis, Shewhart X-bar, R-charts, canonical correlation methods, and design of experiments to analyze the process for the state of statistical control. The results obtained show that six out of ten parameters are under control specifications limits and four parameters are not in the state of statistical control. The analysis shows that statistical process control methods can be applied as an early warning system capable of identifying significant equipment problems well in advance of traditional control room alarm indicators Such a system would provide operators with ample time to respond to possible emergency situations and thus improve plant safety and reliability. (author)

  17. An ERP examination of the different effects of sleep deprivation on exogenously cued and endogenously cued attention.

    Science.gov (United States)

    Trujillo, Logan T; Kornguth, Steve; Schnyer, David M

    2009-10-01

    Behavior and neuroimaging studies have shown selective attention to be negatively impacted by sleep deprivation. Two unresolved questions are (1) whether sleep deprivation impairs attention modulation of early visual processing or of a later stage of cognition and (2) how sleep deprivation affects exogenously versus endogenously driven selective attention. To investigate the time course and different effects of sleep deprivation on exogenously and endogenously cued selective attention. Participants performed modified Attention Network Tests (ANTs) using exogenously and endogenously cued targets to index brain networks underlying selective attention. Target-locked event-related potentials (ERPs) were recorded as participants performed the Attention Network Tests on 2 days separated by 24 hours of total sleeplessness. Fourteen US Military Academy cadets and 12 US Army soldiers from the Ironhorse Brigade, Ft. Hood, Texas. For both Attention Network Tests, sleep deprivation led to slowed response times, decreased accuracy rates, a diminished positive P3 (450- to 550-ms) ERP component, and an enhanced P2 (312- to 434-ms) ERP component. In contrast, the parietal N1 (157- to 227-ms) ERP response was reduced with sleep deprivation for endogenously, but not exogenously, cued targets. These sleep deprivation-related effects occurred in the context of typical behavior and ERP patterns expected in a cued spatial-attention task. These findings suggest that as little as 24 hours of sleep deprivation affects both early and late stages of attention selection but affects endogenously driven selective attention to a greater degree than it does exogenously driven selective attention.

  18. CuO reduction induced formation of CuO/Cu2O hybrid oxides

    Science.gov (United States)

    Yuan, Lu; Yin, Qiyue; Wang, Yiqian; Zhou, Guangwen

    2013-12-01

    Reduction of CuO nanowires results in the formation of a unique hierarchical hybrid nanostructure, in which the parent oxide phase (CuO) works as the skeleton while the lower oxide (Cu2O) resulting from the reduction reaction forms as partially embedded nanoparticles that decorate the skeleton of the parent oxide. Using in situ transmission electron microscopy observations of the reduction process of CuO nanowires, we demonstrate that the formation of such a hierarchical hybrid oxide structure is induced by topotactic nucleation and growth of Cu2O islands on the parent CuO nanowires.

  19. Tracing copper derived from pig manure in calcareous soils and soil leachates by 65Cu labeling.

    Science.gov (United States)

    Ostermann, Anne; He, Yao; Siemens, Jan; Welp, Gerhard; Heuser, Alexander; Wombacher, Frank; Münker, Carsten; Xue, Qiaoyun; Lin, Xianyong; Amelung, Wulf

    2015-04-07

    Copper is used as a growth promoter in animal husbandry, resulting in high Cu concentrations in animal manure. We tested whether Cu would be mobilized in soils receiving excessive loads of manure, both from recently added and from aged fractions. To discriminate between these Cu sources, manure was labeled with (65)Cu. After soil application of 0, 15, and 30 Mg manure ha(-1), leachate was collected in free-draining lysimeters (40 cm depth) under undisturbed soil over a 53 day period. Determining the total amounts of Cu and the fractions of (65)Cu in leachate and the soil profile enabled us to trace the translocation of Cu derived from labeled manure. More than 84% of the applied Cu was retained in the top 2 cm of soil. Less than 0.01% of the applied Cu was detected overall in the leachate. Of this amount, however, 38% (± 8.9 SE) was leached within 8 days after application. The total Cu concentration in leachates (32-164 μg L(-1)) frequently exceeded the Chinese groundwater quality standard of 50 μg L(-1). The added (65)Cu, however, accounted for less than 3.6% of the total Cu leaching load, suggesting that Cu from older sources and/or geological background controls contamination, regardless of current land management.

  20. FT-Raman spectroscopy for the differentiation between cutaneous melanoma and pigmented nevus Espectroscopia FT-Raman na diferenciação entre melanoma cutâneo e nevo pigmentado

    Directory of Open Access Journals (Sweden)

    Sidney Bandeira Cartaxo

    2010-08-01

    Full Text Available Cutaneous melanoma is the most aggressive type of skin cancer and Ft-Raman spectroscopy has been studied as a potential method that could be a real alternative for early diagnosis of neoplasms. PURPOSE: To qualify the spectral FT-Raman data, in order to differentiate cutaneous melanoma and pigmented nevus. METHODS: For this study, 10 samples of cutaneous melanoma, 9 samples of pigmented nevi, and 10 samples of normal skin were obtained by incisional biopsies performed during plastic surgeries ex vivo, immediately after removing the surgical sample. RESULTS: The FT-Raman spectra of each group presented a high correlation between the elements of the same group, thus favoring the elaboration of spectral averages. When analyzing the spectral standard of each group, the normal skin standard did not show a significant variation between the spectra; the standard of the pigmented nevi group showed significant variation, and the cutaneous melanoma group also showed variation. Through univariate analysis, specific bands were detected for each vibrational mode identified. The discriminatory analysis of the data showed a 75.3% efficiency of the differentiation between the three groups studied. CONCLUSION: The vibrational modes Polysaccharides, Tyrosine and Amide-I differentiated the melanoma from the pigmented nevus.O melanoma cutâneo é o câncer de pele mais agressivo, e a espectroscopia FT-Raman tem sido estudada como um método em potencial que pode ser uma verdadeira alternativa no diagnóstico precoce de neoplasias. OBJETIVO: Qualificar os dados espectrais FT-Raman de modo a diferenciar melanoma cutâneo de nevo pigmentado. MÉTODOS: Foram utilizadas 10 amostras de melanoma cutâneo, obtidas por meio de biopsias incisionais realizadas "ex-vivo"; nove amostras de nevo pigmentado e 10 amostras de pele normal foram coletadas durante cirurgias plásticas. RESULTADOS: Os espectros FT-Raman de cada grupo diagnóstico apresentaram alta correlação entre os

  1. Determination of Cu(III) and Cu(II)+Cu(III) in superconducting copper ceramics

    International Nuclear Information System (INIS)

    Nedelcheva, T.; Kostadinova, L.; Stoyanova-Ivanova, A.; Ivanova, I.

    1992-01-01

    Copper(III) and total copper in superconducting Y-Ba-Cu oxide and related compounds can be determinated by two successive iodimetric titrations after the sample has been dissolved under Ar in HCl/KI medium. First, the iodine equivalent to copper(III) is titrated with Na 2 S 2 O 3 solution at pH 4.8, copper(II) being masked with EDTA. The total copper is then determined in the same solution by demasking with acid and iodide, followed by iodimetric titration. The method is both accurate and reproducible. The relative standard deviations for 1.074% copper(III) and 23.37% total copper are 0.8% and 0.3%, respectively. (orig.)

  2. FT-IR and XRD analysis of coal from Makum coalfield of Assam

    Indian Academy of Sciences (India)

    High sulphur coal sample from Ledo colliery of Makum coalfield, Assam, India was studied using FT-IR and XRD methods. FT-IR study shows the presence of ... Function of Radial Distribution Analysis (FRDA) indicates that coal is lignite in type and there is no evidence of graphite-like structure. The first maximum in the G() ...

  3. Overexpression of Arabidopsis FLOWERING LOCUS T (FT) gene improves floral development in cassava (Manihot esculenta, Crantz).

    Science.gov (United States)

    Adeyemo, O Sarah; Chavarriaga, Paul; Tohme, Joe; Fregene, Martin; Davis, Seth J; Setter, Tim L

    2017-01-01

    Cassava is a tropical storage-root crop that serves as a worldwide source of staple food for over 800 million people. Flowering is one of the most important breeding challenges in cassava because in most lines flowering is late and non-synchronized, and flower production is sparse. The FLOWERING LOCUS T (FT) gene is pivotal for floral induction in all examined angiosperms. The objective of the current work was to determine the potential roles of the FT signaling system in cassava. The Arabidopsis thaliana FT gene (atFT) was transformed into the cassava cultivar 60444 through Agrobacterium-mediated transformation and was found to be overexpressed constitutively. FT overexpression hastened flower initiation and associated fork-type branching, indicating that cassava has the necessary signaling factors to interact with and respond to the atFT gene product. In addition, overexpression stimulated lateral branching, increased the prolificacy of flower production and extended the longevity of flower development. While FT homologs in some plant species stimulate development of vegetative storage organs, atFT inhibited storage-root development and decreased root harvest index in cassava. These findings collectively contribute to our understanding of flower development in cassava and have the potential for applications in breeding.

  4. FT-IR SOLUTION SPECTRA OF PROPYL SULFIDE, PROPYL SULFOXIDE, AND PROPYL SULFONE

    Science.gov (United States)

    FT-IR spectra were obtained of 0.5% volumetric solutions of propyl sulfide, propyl sulfoxide, and propyl sulfone in hexane, CCl4, CS2, and CHCl3 to assist in the assignment of FT-IR-PAS spectra of propyl sulfoxide sorbed within the structure of several peats and onto cellulose. T...

  5. MCNP6 and DRiFT modeling efforts for the NEUANCE/DANCE detector array

    Energy Technology Data Exchange (ETDEWEB)

    Pinilla, Maria Isabel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-01-30

    This report seeks to study and benchmark code predictions against experimental data; determine parameters to match MCNP-simulated detector response functions to experimental stilbene measurements; add stilbene processing capabilities to DRiFT; and improve NEUANCE detector array modeling and analysis using new MCNP6 and DRiFT features.

  6. Synthesis of Cu-Ag@Ag particles using hyperbranched polyester as template

    Science.gov (United States)

    Han, Wen-Song

    2015-07-01

    In this manuscript, the third-generation hyperbranched polyester was synthesized with 2, 2-dimethylol propionic acid as AB2 monomer and pentaerythrite as core molecule by using step by step polymerization process at first. Then, the Cu-Ag particles were prepared by co-reduction of silver nitrate and copper nitrate with ascorbic acid in the aqueous solution using hyperbranched polyester as template. Finally, the Cu-Ag@Ag particles were prepared by coating silver on the surface of Cu-Ag particles by reduction of silver nitrate. The synthesized hyperbranched polyester and Cu-Ag@Ag particles were characterized by Fourier transform infrared (FT-IR) spectroscopy, UV-vis spectra, x-ray diffraction, Laser light scattering, thermogravimetric analysis (TGA) and SEM. UV-vis spectra results showed that the Cu-Ag@Ag particles had a strong absorption band at around 420 nm. Laser light scattering and SEM studies confirmed that the most frequent particle sizes of Cu-Ag@Ag particles were 1.2 um. TGA results indicated that the Cu-Ag@Ag particles had good thermal stability. [Figure not available: see fulltext.

  7. NBO, HOMO-LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF-DFT computational methods.

    Science.gov (United States)

    Suvitha, A; Periandy, S; Gayathri, P

    2015-03-05

    This work deals with FT-IR, FT-Raman and FT-NMR spectral analysis and NBO, NLO, HOMO-LUMO and electronic transitions studies on veratrole. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands were interpreted with the aid of structure optimizations and geometrical parameter calculations based on Hartree-Fock (HF) and density functional theory (DFT) method with 6-311++G(d, p) basis set. A study on the electronic properties, such as HOMO and LUMO energies were performed by time independent DFT approach. In addition, molecular electrostatic potential (MEP), Natural Bond-Orbital (NBO) analysis and thermodynamic properties were performed. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by gauge independent atomic orbital (GIAO) method and compared with experimental chemical shift. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. EFFECT OF PROCESS PARAMETER VARIATION ON ft IN CONVENTIONAL AND JUNCTIONLESS GATE-ALL-AROUND DEVICES

    Directory of Open Access Journals (Sweden)

    B. LAKSHMI

    2015-08-01

    Full Text Available In this paper we have studied the effect of process variations on unity gain cut- off frequency (ft in conventional and junctionless gate-all-around (GAA transistors using TCAD simulations. Three different geometrical parameters, channel doping, source/drain doping (for conventional GAA, wire doping (for junctionless GAA and gate electrode work function are studied for their sensitivity on ft. For conventional GAA, ft is more sensitive to gate length and source/drain doping and less sensitive to gate oxide thickness, ovality and channel doping and least sensitive to gate work function variations. For junctionless GAA, ft is more sensitive to gate length and gate work function variations and less sensitive to gate oxide thickness, ovality, wire doping. The non-quasi static (NQS delay is extracted for the most sensitive parameters. The trend of NQS delay is just the reverse trend of ft.

  9. Vibrational spectroscopic and theoretical study of 3,5-dimethyl-1-thiocarboxamide pyrazole (L) and the complexes Co2L2Cl4, Cu2L2Cl4 and Cu2L2Br2

    International Nuclear Information System (INIS)

    Nemcsok, Denes; Kovacs, Attila; Szecsenyi, Katalin Meszaros; Leovac, Vukadin M.

    2006-01-01

    In the present paper we report a joint experimental and theoretical study of 3,5-dimethyl-1-thiocarboxamide pyrazole (L) and its complexes Co 2 L 2 Cl 4 , Cu 2 L 2 Cl 4 and Cu 2 L 2 Br 2 . DFT computations were used to model the structural and bonding properties of the title compounds as well as to derive a reliable force field for the normal coordinate analysis of L. The computations indicated the importance of hydrogen bonding interactions in stabilising the global minimum structures on the potential energy surfaces. In contrast to the S-bridged binuclear Cu 2 L 2 Br 2 complex found in the crystal, our computations predicted the formation of (CuLBr) 2 dimers in the isolated state stabilized by very strong (53 kJ/mol) N-H...Br hydrogen bonding interactions. On the basis of FT-IR and FT-Raman experiments and the DFT-derived scaled quantum mechanical force field we carried out a complete normal coordinate analysis of L. The FT-IR spectra of the three complexes were interpreted using the present assignment of L, literature data and computed results

  10. The facile synthesis of a chitosan Cu(II) complex by solution plasma process and evaluation of their antioxidant activities.

    Science.gov (United States)

    Ma, Fengming; Li, Pu; Zhang, Baiqing; Wang, Zhenyu

    2017-10-01

    Synthesis of chitosan-Cu(II) complex by solution plasma process (SPP) irradiation was investigated. The effects of the distance between the electrodes, initial Cu(II) concentration, and initial pH on the Cu(II) adsorption capacity were evaluated. The results showed that narrower distance between the electrodes, higher initial Cu(II) concentration and higher initial pH (at pHchitosan-Cu(II) complex by ultraviolet-visible (UV-vis), fourier transform infrared (FT-IR) and electron spin resonance (ESR) spectroscopy revealed that the main structure of chitosan was not changed after irradiation. Thermogravimetry (TG) analysis indicated that Cu(II) ions were well incorporated into the chitosan. The antioxidant activity of the chitosan-Cu(II) complex was evaluated by DPPH, ABTS, and reducing power assays. The chitosan-Cu(II) complex exhibited greater antioxidant activity than the original chitosan. Thus, SPP could be used for preparation of chitosan-Cu(II) complexes. Copyright © 2017. Published by Elsevier B.V.

  11. Molecular Characterization of FT and FD Homologs from Eriobotrya deflexa Nakai forma koshunensis.

    Science.gov (United States)

    Zhang, Ling; Yu, Hao; Lin, Shunquan; Gao, Yongshun

    2016-01-01

    In angiosperms, regulation of flowering is a vital process for successful reproduction. To date, the molecular mechanism of flowering is well-studied in the model plant, Arabidopsis, in which key genes such as FLOWERING LOCUST (FT) or FD have been identified to regulate flowering. However, the flowering mechanisms are still largely unknown in fruit trees like loquat. To this end, we first cloned one FT- and two FD-like genes from the loquat (Eriobotrya deflexa Nakai f. koshunensis) and referred to as EdFT, EdFD1, and EdFD2, respectively. Phylogenetic analysis has shown that EdFT, EdFD1, and EdFD2 are conserved during the evolution process. EdFT is mainly expressed in reproductive tissues (e.g., flower buds, flowers, and fruits), while EdFD1 and EdFD2 are mainly expressed in apical buds including leaf buds and flower buds. EdFT is localized in the whole cell, while EdFD1 or EdFD2 is localized in the nucleus. Ectopic expression of EdFT, EdFD1, and EdFD2 in Arabidopsis results in early flowering. In addition, we have also revealed that the EdFT interacts with both EdFD1 and EdFD2. Overall, these data suggest that the EdFT, EdFD1, and EdFD2 are the functional homologs of FT and FD, respectively, which might act together to regulate loquat flowering through a similar mechanism found in Arabidopsis.

  12. Evidence that the novel imidazoline compound FT005 is anα2-adrenoceptor agonist

    Science.gov (United States)

    Slough, Scott; Guillaumet, Gerald; Taberner, Peter V

    2002-01-01

    The aim of this study was to determine whether the hyperglycaemic action of the novel imidazoline compound FT005 could be mediated by activation of α2-adrenoceptors, using a variety of in vivo and in vitro methods including radioligand binding. FT005 produced a dose-dependent increase in blood glucose levels of CBA/Ca mice (0.125–25 mg kg−1, i.p.). The time course of this hyperglycaemic effect matched that of adrenaline (1 mg kg−1) more closely than glucagon (1 mg kg−1) or the KATP channel opener diazoxide (25 mg kg−1). The hyperglycaemic effect of FT005 (1 mg kg−1) was significantly reduced by the α2-adrenoceptor antagonist rauwolscine (0.5 mg kg−1). FT005 produced a significant reduction in plasma insulin levels of mice 30 min after administration. The hyperglycaemic effect of FT005 (25 mg kg−1), although still present, was significantly less in fasted mice in which insulin levels are lower, suggesting that a reduction of insulin secretion contributes to the action of FT005. When studied in the mouse isolated vas deferens preparation, FT005 produced a complete inhibition of neurogenic contractions, which was blocked by rauwolscine. This is consistent with activation of pre-synaptic α2-adrenoceptors. In radioligand binding studies FT005 completely displaced the α2-adrenoceptor antagonist [3H]-RX821002 from mouse whole brain homogenates. The displacement was best described by a two-site model of interaction comprising high and low affinity components. The results indicate that FT005 is an agonist at α2-adrenoceptors. A reduction in insulin secretion contributes to the hyperglycaemic action of FT005, although an additional mechanism can not be excluded. PMID:12145105

  13. FT overexpression induces precocious flowering and normal reproductive development in Eucalyptus.

    Science.gov (United States)

    Klocko, Amy L; Ma, Cathleen; Robertson, Sarah; Esfandiari, Elahe; Nilsson, Ove; Strauss, Steven H

    2016-02-01

    Eucalyptus trees are among the most important species for industrial forestry worldwide. However, as with most forest trees, flowering does not begin for one to several years after planting which can limit the rate of conventional and molecular breeding. To speed flowering, we transformed a Eucalyptus grandis × urophylla hybrid (SP7) with a variety of constructs that enable overexpression of FLOWERING LOCUS T (FT). We found that FT expression led to very early flowering, with events showing floral buds within 1-5 months of transplanting to the glasshouse. The most rapid flowering was observed when the cauliflower mosaic virus 35S promoter was used to drive the Arabidopsis thaliana FT gene (AtFT). Early flowering was also observed with AtFT overexpression from a 409S ubiquitin promoter and under heat induction conditions with Populus trichocarpa FT1 (PtFT1) under control of a heat-shock promoter. Early flowering trees grew robustly, but exhibited a highly branched phenotype compared to the strong apical dominance of nonflowering transgenic and control trees. AtFT-induced flowers were morphologically normal and produced viable pollen grains and viable self- and cross-pollinated seeds. Many self-seedlings inherited AtFT and flowered early. FT overexpression-induced flowering in Eucalyptus may be a valuable means for accelerating breeding and genetic studies as the transgene can be easily segregated away in progeny, restoring normal growth and form. © 2015 Society for Experimental Biology, Association of Applied Biologists and John Wiley & Sons Ltd.

  14. Synthesis of Cu2O, CuCl, and Cu2OCl2 nanoparticles by ultrafast ...

    Indian Academy of Sciences (India)

    2014-02-13

    Feb 13, 2014 ... Home; Journals; Pramana – Journal of Physics; Volume 82; Issue 2. Synthesis of Cu2O, CuCl, and Cu2OCl2 nanoparticles by ultrafast laser ablation of copper in liquid media. Syed Hamad G Krishna Podagatlapalli Surya P Tewari S Venugopal Rao. Contributed Papers Volume 82 Issue 2 February 2014 ...

  15. Non-destructive testing of CFC/Cu joints

    International Nuclear Information System (INIS)

    Casalegno, V.; Ferraris, M.; Salvo, M.; Vesprini, R.; Merola, M.

    2006-01-01

    Reliable non-destructive tests (NDT) are fundamental for the manufacturing of ITER components, especially for high heat flux plasma facing components. NDT include various techniques, which allow inspection of a component without impairing serviceability; it's important to detect and characterize defects (type, size and position) as well as the set-up of acceptance standards in order to predict their influence on the component performance in service conditions. The present study shows a description of NDT used to assess the manufacturing quality of CFC (carbon fibre reinforced carbon matrix composites)/Cu/CuCrZr joints. In the ITER divertor, armor tiles made of CFC are joined to the cooling structure made of precipitation hardened copper alloy CuCrZr; a soft pure Cu interlayer is required between the heat sink and the armour in order to mitigate the stresses at the joint interface. NDT on CFC/Cu joint are difficult because of the different behavior of CFC and copper with regard to physical excitations (e.g. ultrasonic wave) used to test the component; furthermore the response to this input must be accurately studied to identify the detachment of CFC tiles from Cu alloy. The inspected CFC/Cu/CuCrZr joints were obtained through direct casting of pure Cu on modified CFC surface and subsequently through brazing of CFC/Cu joints to CuCrZr by a Cu-based alloy. Different non-destructive methods were used for inspecting these joints: lock-in thermography, ultrasonic inspections, microtomography and microradiography. The NDT tests were followed by metallographic investigation on the samples, since the reliability of a certain non destructive test can be only validated by morphological evidence of the detected defects. This study will undertake a direct comparison of NDT used on CFC/Cu joints in terms of real flaws presence. The purpose of this work is to detect defects at the joining interface as well as in the cast copper ( for instance voids). The experimental work was

  16. Electrical conduction and dielectric relaxation in p-type PVA/CuI polymer composite

    Directory of Open Access Journals (Sweden)

    M.H. Makled

    2013-11-01

    Full Text Available PVA/CuI polymer composite samples have been prepared and subjected to characterizations using FT-IR spectroscopy, DSC analysis, ac spectroscopy and dc conduction. The FT-IR spectral analysis shows remarkable variation of the absorption peak positions whereas DSC illustrates a little decrease of both glass transition temperature, Tg, and crystallization fraction, χ, with increasing CuI concentration. An increase of dc conductivity for PVA/CuI nano composite by increasing CuI concentration is recoded up to 15 wt%, besides it obeys Arhenuis plot with an activation energy in the range 0.54–1.32 eV. The frequency dependence of ac conductivity showed power law with an exponent 0.33 < s < 0.69 which predicts hopping conduction mechanism. The frequency dependence of both dielectric permittivity and dielectric loss obeys Debye dispersion relations in wide range of temperatures and frequency. Significant values of dipole relaxation time obtained which are thermally activated with activation energies in the range 0.33–0.87 eV. A significant value of hopping distance in the range 3.4–1.2 nm is estimated in agreement with the value of Bohr radius of the exciton.

  17. Quantification of active ingredients in suppositories by FT-Raman spectroscopy.

    Science.gov (United States)

    Szostak, Roman; Mazurek, Sylwester

    2013-02-01

    An efficient method for the quantitative determination of acetaminophen (AAP) and diclofenac sodium (DS) in commercial suppositories based on partial least squares (PLS) treatment of FT-Raman spectra is described. The relative standard errors of prediction (RSEP) were calculated for calibration and validation data sets to evaluate the quality of the constructed models. In the case of DS determination, RSEP error values of 1.9 % and 2.3 % for the calibration and validation data sets, respectively, were found. For AAP these errors amounted to 1.6-2.3 % and 1.8-2.8 %, respectively, for the different calibration models. Four commercial preparations containing 5, 12.5, 16.7 and 33.3 % (w/w) AAP and one containing 5 % (w/w) DS were successfully quantified using the developed models. Concentrations derived from the developed models correlated strongly with the declared values and yielded recoveries of 99.4-100.2 % and 99.6 % for AAP and DS, respectively. The proposed procedure can be used as a fast, economic and reliable method for quantification of the active pharmaceutical ingredients in suppositories. Copyright © 2012 John Wiley & Sons, Ltd.

  18. Arthroscopic Rotator Cuff Tear Transosseous Repair System: The Sharc-FT Using the Taylor Stitcher.

    Science.gov (United States)

    Pellegrini, Andrea; Lunini, Enricomaria; Rebuzzi, Manuela; Verdano, Michele; Baudi, Paolo; Ceccarelli, Francesco

    2015-06-01

    Transosseous rotator cuff tear repair was first described in 1944. Over the years, it has represented the gold standard for such lesions. Through open and mini-open approaches, as well as the arthroscopic approach, the transosseous repair system represents one of the most reliable surgical techniques from a biological and mechanical perspective. Nevertheless, further improvements are required. This article describes an arthroscopic rotator cuff tear transosseous repair system, developed in collaboration with NCS Lab (Carpi, Italy): the Sharc-FT using the Taylor Stitcher. Our first experience in the clinical application of the arthroscopic technique using the transosseous suture system has shown encouraging clinical outcomes, confirming its efficacy. The patient satisfaction rate was high, and no patient expressed concern about the implant. The complication rate was very low. By improving the suture technique in the treatment of rotator cuff tears, a remarkable increase in the success rate in the treatment of this pathology could be reached; nevertheless, complications such as retears of the rotator cuff still occur.

  19. Quantification of atorvastatin calcium in tablets by FT-Raman spectroscopy.

    Science.gov (United States)

    Mazurek, Sylwester; Szostak, Roman

    2009-01-15

    The FT-Raman quantification of atorvastatin calcium in tablets was performed using the partial least squares (PLS), principal component regression (PCR) and counter-propagation artificial neural networks (CP-ANN) methods. To compare the predictive abilities of the elaborated models, the relative standard errors of prediction (RSEP) were calculated. The application of PLS, PCR and 6x6 CP-ANN provided models of comparable quality. RSEP error values in the range of 1.9-2.8% for calibration and validation data sets were obtained for the three procedures applied. Four commercial products containing 10, 20 or 40 mg of atorvastatin calcium per tablet were successfully quantified. Concentrations found from the Raman data analysis correlate strongly with the declared values, with a recovery of 98.5-101.3%, and with the results of reference analysis, with the recovery of 98.9-102.1%, for the different models. The proposed procedure can be a fast, precise and convenient method of atorvastatin calcium quantification in commercial tablets.

  20. SOHIO (Standard Oil Co. , Ohio) to sell Prudhoe gas to Northern Natural Gas Co

    Energy Technology Data Exchange (ETDEWEB)

    1979-08-20

    Sohio has agreed to sell Vertical Bar3: 2 trillion cu ft of its Prudhoe Bay gas to Northern Natural Gas Co. for delivery at a rate of 170 million cu ft/day when the proposed Alaska Highway gas pipeline is completed. With the exception of approx. 4 trillion cu ft of Sohio's reserves committed to Columbia Gas System Inc., the agreement accounts for the sale of all the 26.5-27 trillion cu ft of Prudhoe Bay reserves. The contract, which is subject to approval of the U.S. Federal Energy Regulatory Commission, allows Alaska to take its one-eighth royalty share of the gas in kind or cash. Columbia Gas is the only firm planning to purchase Prudhoe Bay gas that is not participating as an equity owner in the pipeline project. According to a Columbia spokesman, it is still uncertain whether the proposed gas pipeline will be built; and the fact that Columbia has not yet signed a final agreement with Sohio does not indicate any decreasing interest in Prudhoe Bay gas.

  1. Characterization of additives typically employed in EPDM formulations by using FT-IR of gaseous pyrolyzates

    Directory of Open Access Journals (Sweden)

    Natália Beck Sanches

    2014-06-01

    Full Text Available In this study, Fourier transform infrared spectroscopy (FT-IR was employed to investigate the gaseous pyrolysis products of ethylene - propylene - diene rubber (EPDM. The objective was to evaluate the potential of FT-IR analysis of gaseous pyrolyzates (PY-G/FT-IR for characterization of EPDM additives. Two EPDM formulations, containing additives typically employed in EPDM rubbers, were analyzed. Initially, gaseous pyrolysis products from paraffin oil, stearic acid, 2,2,4-trimethyl-1,2-dihydroquinoline, tetramethylthiuram monosulfide (TMTM, tetramethylthiuram disulfide (TMTD, and 2-mercaptobenzothiazole (MBT were characterized separately, and their main absorptions were identified. Subsequently, the gaseous pyrolysis products of raw, unvulcanized, and vulcanized EPDM formulations were analyzed. The similarities observed in the FT-IR spectra of unvulcanized and vulcanized EPDM show that the vulcanization process does not interfere with the pyrolysis products. The identification of the functional groups of the studied additives was possible in both unvulcanized and vulcanized EPDM samples, without solvent extraction. Results also demonstrate that the PY-G/FT-IR technique can identify additives containing sulfur in concentrations as low as 1.4 phr (1.26% in both unvulcanized and vulcanized EPDM. However, the method showed some limitation due to overlapping and to similarities of TMTM and TMTD PY-G/FT-IR spectra, which could not be distinguished from each other. The PY-G/FT-IR technique is a faster and cheaper alternative to the sophisticated techniques usually applied to detection of additives in rubbers.

  2. Differentiation of Candida albicans, Candida glabrata, and Candida krusei by FT-IR and chemometrics by CHROMagar™ Candida.

    Science.gov (United States)

    Wohlmeister, Denise; Vianna, Débora Renz Barreto; Helfer, Virginia Etges; Calil, Luciane Noal; Buffon, Andréia; Fuentefria, Alexandre Meneghello; Corbellini, Valeriano Antonio; Pilger, Diogo André

    2017-10-01

    Pathogenic Candida species are detected in clinical infections. CHROMagar™ is a phenotypical method used to identify Candida species, although it has limitations, which indicates the need for more sensitive and specific techniques. Infrared Spectroscopy (FT-IR) is an analytical vibrational technique used to identify patterns of metabolic fingerprint of biological matrixes, particularly whole microbial cell systems as Candida sp. in association of classificatory chemometrics algorithms. On the other hand, Soft Independent Modeling by Class Analogy (SIMCA) is one of the typical algorithms still little employed in microbiological classification. This study demonstrates the applicability of the FT-IR-technique by specular reflectance associated with SIMCA to discriminate Candida species isolated from vaginal discharges and grown on CHROMagar™. The differences in spectra of C. albicans, C. glabrata and C. krusei were suitable for use in the discrimination of these species, which was observed by PCA. Then, a SIMCA model was constructed with standard samples of three species and using the spectral region of 1792-1561cm -1 . All samples (n=48) were properly classified based on the chromogenic method using CHROMagar™ Candida. In total, 93.4% (n=45) of the samples were correctly and unambiguously classified (Class I). Two samples of C. albicans were classified correctly, though these could have been C. glabrata (Class II). Also, one C. glabrata sample could have been classified as C. krusei (Class II). Concerning these three samples, one triplicate of each was included in Class II and two in Class I. Therefore, FT-IR associated with SIMCA can be used to identify samples of C. albicans, C. glabrata, and C. krusei grown in CHROMagar™ Candida aiming to improve clinical applications of this technique. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Screening a random mutagenesis library of a fungal β-fructofuranosidase using FT-MIR ATR spectroscopy and multivariate analysis.

    Science.gov (United States)

    Trollope, K M; Nieuwoudt, H H; Görgens, J F; Volschenk, H

    2014-05-01

    Short-chain fructooligosaccharides (scFOS) are valuable health-promoting food additives. During the batch production of scFOS from sucrose the β-fructofuranosidase catalyst is subject to product inhibition by glucose. Engineering the enzyme for reduced sensitivity to glucose could improve product yields or process productivity while preserving the simple industrial batch design. Random mutagenesis is a useful technique for engineering proteins but should be coupled to a relevant high-throughput screen. Such a screen for sucrose and scFOS quantification remains elusive. This work presents the development of a screening method displaying potential high-throughput capacity for the evaluation of β-fructofuranosidase libraries using Fourier transform mid-infrared attenuated total reflectance (FT-MIR ATR) spectroscopy and multivariate analysis. A calibration model for the quantification of sucrose in enzyme assay samples ranged from 5 to 200 g/l and the standard error of prediction was below 13 g/l. A library of the Aspergillus japonicus fopA gene was generated by error prone PCR and screened in Saccharomyces cerevisiae. Using FT-MIR ATR spectroscopy, potential hits were identified as those variants that converted more sucrose in the presence of the glucose inhibitor than the parent. Subsequent analysis of reaction products generated by top performers using high-performance liquid chromatography identified a variant producing higher scFOS levels than the parent. At the peak difference in performance the variant produced 28 % more scFOS from the same amount of sucrose. This study highlights the application of FT-MIR ATR spectroscopy to a variant discovery pipeline in the directed evolution of a β-fructofuranosidase for enhanced scFOS production.

  4. Application of spectroscopic methods (FT-IR, Raman, ECD and NMR) in studies of identification and optical purity of radezolid

    Science.gov (United States)

    Michalska, Katarzyna; Gruba, Ewa; Mizera, Mikołaj; Lewandowska, Kornelia; Bednarek, Elżbieta; Bocian, Wojciech; Cielecka-Piontek, Judyta

    2017-08-01

    In the presented study, N-{[(5S)-3-(2-fluoro-4‧-{[(1H-1,2,3-triazol-5-ylmethyl)amino]methyl}biphenyl-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (radezolid) was synthesized and characterized using FT-IR, Raman, ECD and NMR. The aim of this work was to assess the possibility of applying classical spectral methods such as FT-IR, Raman, ECD and NMR spectroscopy for studies on the identification and optical purity of radezolid. The experimental interpretation of FT-IR and Raman spectra of radezolid was conducted in combination with theoretical studies. Density functional theory (DFT) with the B3LYP hybrid functional was used for obtaining radezolid spectra. Full identification was carried out by COSY, 1H {13C} HSQC and 1H {13C} HMBC experiments. The experimental NMR chemical shifts and spin-spin coupling constants were compared with theoretical calculations using the DFT method and B3LYP functional employing the 6-311 ++G(d,p) basis set and the solvent polarizable continuum model (PCM). The experimental ECD spectra of synthesized radezolid were compared with experimental spectra of the reference standard of radezolid. Theoretical calculations enabled us to conduct HOMO and LUMO analysis and molecular electrostatic potential maps were used to determine the active sites of microbiologically active form of radezolid enantiomer. The relationship between results of ab initio calculations and knowledge about chemical-biological properties of S-radezolid and other oxazolidinone derivatives are also discussed.

  5. Silica functionalized Cu(II) acetylacetonate Schiff base complex: An efficient catalyst for the oxidative condensation reaction of benzyl alcohol with amines

    Science.gov (United States)

    Anbarasu, G.; Malathy, M.; Karthikeyan, P.; Rajavel, R.

    2017-09-01

    Silica functionalized Cu(II) acetylacetonate Schiff base complex via the one pot reaction of silica functionalized 3-aminopropyltriethoxysilane with acetyl acetone and copper acetate has been reported. The synthesized material was well characterized by analytical techniques such as FT-IR, UV-DRS, XRD, SEM-EDX, HR-TEM, EPR, ICP-AES and BET analysis. The characterization results confirmed the grafting of Cu(II) Schiff base complex on the silica surface. The catalytic activity of synthesized silica functionalized Cu(II) acetylacetonate Schiff base complex was evaluated through the oxidative condensation reaction of benzyl alcohol to imine.

  6. Investigation of coals and coal conversion products by FT-IR methods

    Energy Technology Data Exchange (ETDEWEB)

    Romanchuk, V.V.; Ismagilov, M.S.; Korobetskii, I.A. [Clean Coal Technology and Certification Center Ltd., Kemerovo (Russian Federation)

    1996-12-31

    The influence of water content on coal pyrolysis was studied by Fourier transform infrared (FT-IR) spectroscopy. Three coals varying in rank were studied. The coal samples were previously dried at 200 C. Pyrolysis was carried out in a nitrogen flow reactor at temperature 450 C. The FT-IR examination showed that the aliphatic structures and hydroxyl functional groups were removed from chars, while aromatic hydrogen content increased during the pyrolysis. Several structural characteristics based on FT-IR data were calculated for coals and their chars. These structural characteristics showed increasing of aromatic hydrogen content during the drying.

  7. Anisotropic fluid for a set of non-diagonal tetrads in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Hamani Daouda, M., E-mail: daoudah8@yahoo.fr [Universidade Federal do Espirito Santo, Centro de Ciencias Exatas, Departamento de Fisica, Av. Fernando Ferrari s/n, Campus de Goiabeiras, CEP 29075-910, Vitoria, ES (Brazil); Faculte des Sciences et Techniques, Universite Abdou Moumouni de Niamey, BP 10662, Niamey (Niger); Rodrigues, Manuel E., E-mail: esialg@gmail.com [Universidade Federal do Espirito Santo, Centro de Ciencias Exatas, Departamento de Fisica, Av. Fernando Ferrari s/n, Campus de Goiabeiras, CEP 29075-910, Vitoria, ES (Brazil); Houndjo, M.J.S., E-mail: sthoundjo@yahoo.fr [Departamento de Ciencias Naturais, CEUNES, Universidade Federal do Espirito Santo, CEP 29933-415, Sao Mateus, ES (Brazil); Institut de Mathematiques et de Sciences Physiques (IMSP), 01 BP 613 Porto-Novo (Benin)

    2012-08-29

    We consider f(T) gravity for a Weitzenbock's spherically symmetric and static spacetime, where the metric is projected in the tangent space to the manifold, for a set of non-diagonal tetrads. The matter content is coupled through the energy-momentum tensor of an anisotropic fluid, generating various classes of new black hole and wormhole solutions. One of these classes is that of cold black holes. We also perform the reconstruction scheme of the algebraic function f(T) for two cases where the radial pressure is proportional to f(T) and its first derivative.

  8. An exploratory study of human teeth enamel by using Ft-Raman spectroscopy

    International Nuclear Information System (INIS)

    Afishah Alias; Siti Rahayu Mohd Hashim; Mihaly, Judith; Julyannie Wajir; Fauziah Abdul Aziz

    2009-01-01

    Unaffected , affected and heavily affected teeth enamel were studied by using FT-Raman spectroscopy. The 14 permanent teeths enamel surface were measured randomly, resulting in total n = 43 FT-Raman spectra. The results obtained from FT-Raman spectra of heavily affected, affected and unaffected tooths enamel surfaces did not show any significant difference. In this study, Kruskal-Wallis and Wilcoxon rank sum tests were used to compare the intensity between the categories of enamel as well as the surfaces of teeth samples. (author)

  9. D0 Silicon Upgrade: Calculating Mass Flow Rates at Sub-Sonic Conditions Trhough Venturis (FT-4052-H & FT-4053-H) and an Orifice Plate (F)-2019-H)

    Energy Technology Data Exchange (ETDEWEB)

    Zaczek, Mauiusz; /Fermilab

    1996-08-15

    The purpose of this engineering note is to explain the method involved in calculating the mass flow rates through venturis and orifice plates at sub-sonic conditions. In particular, the mass flow rate calculations are required for two FLOW-DYNE venturi flow meters, serial no. 35821 and no. 35822, and an orifice plate flow meter, serial no. 35823. The two venturis, FT-4052-H and FT-4053-H, are located in the D-Zero VLPC valve box at the refrigerator and the orifice plate, FO-2019-H, is on the high pressure helium supply line in the assembly building.

  10. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.

    Science.gov (United States)

    Saravanan, S; Balachandran, V

    2014-09-15

    This study represents an integral approach towards understanding the electronic and structural aspects of 3-tert-butyl-4-methoxyphenol (TBMP). Fourier-transform Infrared (FT-IR) and Fourier-transform Raman (FT-Raman) spectra of TBMP was recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1), respectively. The molecular structures, vibrational wavenumbers, infrared intensities and Raman activities were calculated using DFT (B3LYP and LSDA) methods using 6-311++G (d,p) basis set. The most stable conformer of TBMP was identified from the computational results. The assignments of vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the scaled quantum mechanical force field (SQMFF) methodology. The first order hyperpolarizability (β0) and related properties (β, α0 and Δα) of TBMP have been discussed. The stability and charge delocalization of the molecule was studied by Natural Bond Orbital (NBO) analysis. UV-Visible spectrum and effects of solvents have been discussed and the electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT approach with B3LYP/6-311++G (d,p) level of theory. The molecule orbital contributions are studied by density of energy states (DOSs). The reactivity sites are identified by mapping the electron density into electrostatic potential surface (MEP). Mulliken analysis of atomic charges is also calculated. The thermodynamic properties at different temperatures were calculated, revealing the correlations between standard heat capacities, standard entropy and standard enthalpy changes with temperatures. Global hardness, global softness, global electrophilicity and ionization potential of the title compound are determined. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Metabolomic analysis of lung epithelial secretions in rats: an investigation of bronchoalveolar lavage fluid by GC-MS and FT-IR.

    Science.gov (United States)

    Qamar, Wajhul; Ahamad, Syed Rizwan; Ali, Raisuddin; Khan, Mohammad Rashid; Al-Ghadeer, Abdul Rahman

    2014-11-01

    Rat bronchoalveolar lavage fluid (BALF) metabolome can be used to obtain valuable, precise, and accurate information about underlying lung conditions in an experiment. The present study focuses on the evaluation of the lung epithelium metabolome in a rat model using techniques including bronchoalveolar lavage, gas chromatography-mass spectroscopy (GC-MS), and Fourier transform infrared spectroscopy (FT-IR). Untargeted metabolites in BALF were extracted in ethyl acetate and derivatized by standard methods for the analysis by GC-MS. FT-IR spectra of ethyl acetate extract of BALF were obtained and read for the characteristic fingerprint of rats under investigation. Analyses were done in individual animals to obtain consistent data. BALF cells were counted by flow cytometry to monitor any inflammatory condition in rats. FT-IR analysis finds two peaks which are characteristically different from the extract medium, which is ethyl acetate. FT-IR peaks correspond to that of amino acids and carbohydrates, including β-D-glucose, α-D-glucose, and β-D-galactose. GC-MS evaluation of the BALF finds several products of the metabolism or its participants. Main compounds in the BALF detected by GC-MS include succinate, fumarate, glycine, alanine, 2-methyl-3-oxovaleric acid, dodecanoic acid, tetradecanoic acid, hexadecanoic acid, octanoic acid, trans-9-octadecanoic acid, octadecanoic acid, and Prostaglandin F1α. Several research reports reveal metabolomic parameters in murine model lung tissue or BALF, but they rarely reported a complete metabolomics model profile, particularly in rats. The present data of GC-MS and FT-IR suggest that the set up can be exploited to study metabolomic alterations in several lung conditions including acute lung toxicity, inflammation, asthma, bronchitis, fibrosis, and emphysema.

  12. Above 8GHz Static T-Flip-Flop Operation using FT=22.9GHz GaAs MESFETs

    DEFF Research Database (Denmark)

    Riishøj, J; Danielsen, Per Lander

    1992-01-01

    A static SCFL Toggle Flip-Flop GaAs IC having maximum operating frequency of Fdiv=8.25GHz has been designed using a commercially available GaAs MESFET foundry service. The average Ft for the present wafer is Ft=22.9GHz giving a very high Fdiv/Ft-ratio of Fdiv/Ft=0.36. In addition output voltage...

  13. Magnetic Moment of $^{59}$Cu

    CERN Multimedia

    2002-01-01

    Experiment IS358 uses the intense and pure beams of copper isotopes provided by the ISOLDE RILIS (resonance ionization laser ion source). The isotopes are implanted and oriented in the low temperature nuclear orientation set-up NICOLE. Magnetic moments are measured by $\\beta$-NMR. Copper (Z=29), with a single proton above the proton-magic nickel isotopes provides an ideal testground for precise shell model calculations of magnetic moments and their experimental verification. In the course of our experiments we already determined the magnetic moments of $^{67}$Ni, $^{67}$Cu, $^{68g}$Cu, $^{69}$Cu and $^{71}$Cu which provide important information on the magicity of the N=40 subshell closure. In 2001 we plan to conclude our systematic investigations by measuring the magnetic moment of the neutron-deficient isotope $^{59}$Cu. This will pave the way for a subsequent study of the magnetic moment of $^{57}$Cu with a complementary method.

  14. Rapid monitoring of the fermentation process for Korean traditional rice wine 'Makgeolli' using FT-NIR spectroscopy

    Science.gov (United States)

    Kim, Dae-Yong; Cho, Byoung-Kwan

    2015-11-01

    The quality parameters of the Korean traditional rice wine "Makgeolli" were monitored using Fourier transform near-infrared (FT-NIR) spectroscopy with multivariate statistical analysis (MSA) during fermentation. Alcohol, reducing sugar, and titratable acid were the parameters assessed to determine the quality index of fermentation substrates and products. The acquired spectra were analyzed with partial least squares regression (PLSR). The best prediction model for alcohol was obtained with maximum normalization, showing a coefficient of determination (Rp2) of 0.973 and a standard error of prediction (SEP) of 0.760%. In addition, the best prediction model for reducing sugar was obtained with no data preprocessing, with a Rp2 value of 0.945 and a SEP of 1.233%. The prediction of titratable acidity was best with mean normalization, showing a Rp2 value of 0.882 and a SEP of 0.045%. These results demonstrate that FT-NIR spectroscopy can be used for rapid measurements of quality parameters during Makgeolli fermentation.

  15. FT-IR Method for the Quantification of Isoflavonol Glycosides in Nutritional Supplements of Soy (Glycine max (L.) MERR.).

    Science.gov (United States)

    Mulsow, Katharina; Eidenschink, Juliane; Melzig, Matthias F

    2015-01-01

    Due to increasing health consciousness, a lot of food supplements are sold and used. Dietary supplements of Glycine max (L.) MERR. are used as an alternative treatment for menopausal complaints such as hot flashes. Thereby, the effective soy compounds are the isoflavones daidzin, genistin, and glycitin. However, only the total soy extract content of the nutritional supplements is indicated. The aim of this study is to introduce a fast, efficient, and economic Fourier transformation infrared (FT-IR) spectroscopy method to quantify the active ingredients in the complex matrix of soy-based supplements. Five different nutritional supplements of Glycine max (L.) MERR. were purchased from a German pharmacy and were extracted with 80% aqueous methanol. A high-performance liquid chromatography (HPLC) method was used for the separation. The samples were concentrated and measured with infrared spectroscopy. An FT-IR method was established to quantify the active ingredients in the complex matrix of soy-based nutritional supplements. The partial least-squares algorithm was used to develop the method, which enabled the estimation of the content of particular isoflavones (daidzin R(2) = 0.86, glycitin R(2) = 0.94, genistin R(2) = 0.96) and the quantification of the total isoflavone content (R(2) = 0.92) despite peak overlap in the infrared (IR) spectra. The method for the quantification of the isoflavonol glycosides is precise with the standard error of prediction being 13.54%.

  16. Identification and Quantification of Microplastics in Wastewater Using Focal Plane Array-Based Reflectance Micro-FT-IR Imaging.

    Science.gov (United States)

    Tagg, Alexander S; Sapp, Melanie; Harrison, Jesse P; Ojeda, Jesús J

    2015-06-16

    Microplastics (microplastics in these matrices has not been investigated. Although efficient methods for the analysis of microplastics in sediment samples and marine organisms have been published, no methods have been developed for detecting these pollutants within organic-rich wastewater samples. In addition, there is no standardized method for analyzing microplastics isolated from environmental samples. In many cases, part of the identification protocol relies on visual selection before analysis, which is open to bias. In order to address this, a new method for the analysis of microplastics in wastewater was developed. A pretreatment step using 30% hydrogen peroxide (H2O2) was employed to remove biogenic material, and focal plane array (FPA)-based reflectance micro-Fourier-transform (FT-IR) imaging was shown to successfully image and identify different microplastic types (polyethylene, polypropylene, nylon-6, polyvinyl chloride, polystyrene). Microplastic-spiked wastewater samples were used to validate the methodology, resulting in a robust protocol which was nonselective and reproducible (the overall success identification rate was 98.33%). The use of FPA-based micro-FT-IR spectroscopy also provides a considerable reduction in analysis time compared with previous methods, since samples that could take several days to be mapped using a single-element detector can now be imaged in less than 9 h (circular filter with a diameter of 47 mm). This method for identifying and quantifying microplastics in wastewater is likely to provide an essential tool for further research into the pathways by which microplastics enter the environment.

  17. Synthesis of Cu/SiO2 Core-Shell Particles Using Hyperbranched Polyester as Template and Dispersant

    Science.gov (United States)

    Han, Wensong

    2017-07-01

    Third-generation hyperbranched polyester (HBPE3) was synthesized by stepwise polymerization with N, N-diethylol-3-amine methylpropionate as AB2 monomer and pentaerythritol as core molecule. Then, Cu particles were prepared by reduction of copper nitrate with ascorbic acid in aqueous solution using HBPE3 as template. Finally, Cu/SiO2 particles were prepared by coating silica on the surface of Cu particles. The structure and morphology of the samples were characterized by Fourier-transform infrared (FT-IR) spectrometry, x-ray diffraction (XRD) analysis, transmission electron microscopy (TEM), scanning electron microscopy (SEM), and thermogravimetric analysis (TGA). The results confirmed the formation of the silica coating on the surface of Cu and that the Cu/SiO2 particles had spherical shape with particle size in the range of 0.8 μm to 2 μm. Compared with pure Cu, the synthesized Cu/SiO2 core-shell particles exhibited better oxidation resistance at high temperature. Moreover, the oxidation resistance of the Cu/SiO2 particles increased significantly with increasing tetraethyl orthosilicate (TEOS) concentration.

  18. Influence of Cu doping in borosilicate bioactive glass and the properties of its derived scaffolds.

    Science.gov (United States)

    Wang, Hui; Zhao, Shichang; Xiao, Wei; Xue, Jingzhe; Shen, Youqu; Zhou, Jie; Huang, Wenhai; Rahaman, Mohamed N; Zhang, Changqing; Wang, Deping

    2016-01-01

    Copper doped borosilicate glasses (BG-Cu) were studied by means of FT-IR, Raman, UV-vis and NMR spectroscopies to investigate the changes that appeared in the structure of borosilicate glass matrix by doping copper ions. Micro-fil and immunohistochemistry analysis were applied to study the angiogenesis of its derived scaffolds in vivo. Results indicated that the Cu ions significantly increased the B-O bond of BO4 groups at 980 cm(-1), while they decrease that of BO2O(-) groups at 1440-1470 cm(-1) as shown by Raman spectra. A negative shift was observed from (11)B and (29)Si NMR spectra. The (11)B NMR spectra exhibited a clear transformation from BO3 into BO4 groups, caused by the agglutination effect of the Cu ions and the charge balance of the agglomerate in the glass network, leading to a more stable glass network and lower ions release rate in the degradation process. Furthermore, the BG-Cu scaffolds significantly enhanced blood vessel formation in rat calvarial defects at 8 weeks post-implantation. Generally, it suggested that the introduction of Cu into borosilicate glass endowed glass and its derived scaffolds with good properties, and the cooperation of Cu with bioactive glass may pave a new way for tissue engineering. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Electropolymerization of CuII-(N,N'-bis(3-methoxysalicylidene)-2-aminobenzylamine) on platinum electrode: Application to the electrocatalytic reduction of hydrogen peroxide

    International Nuclear Information System (INIS)

    Deletioglu, Didem; Yalcinkaya, Sueleyman; Demetguel, Cahit; Timur, Mahir; Serin, Selahattin

    2011-01-01

    Highlights: → Tetradentate ligand coordinated to the Cu(II) ion to form a non-electrolyte complex. → Cyclic voltammetry technique was used for electropolymerization of Schiff base-Cu(II) complex. → Poly-[CuL] formed on platinum electrode between 0 and 1.6 V potential range. → The modified electrode exhibited catalytic activity towards the reduction of H 2 O 2 . - Abstract: The complex of copper (II) with N,N'-bis(3-methoxysalicylidene)-2-aminobenzylamine (H 2 L) was synthesized and characterized by elemental analysis, magnetic susceptibility, UV-vis. and FT-IR spectroscopy. The results showed that the tetradentate ligand coordinated to the Cu(II) ion through the azomethine nitrogen and phenolic oxygen atoms. The prepared complex [CuL] was electropolymerized on platinum electrode surface in a 0.1 mol dm -3 solution of lithium perchlorate in acetonitrile by cyclic voltammetry between 0 and 1.6 V vs. Ag/Ag + . Cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), conductance measurements, FT-IR and SEM were used to characterize polymer film of Cu(II) complex. The reduction of hydrogen peroxide on poly[CuL] has been investigated mainly in phosphate buffer medium (pH 7.2), between 0 and -0.8 V versus Ag/Ag + at a scan rate 0.1 V s -1 .

  20. Der Einsatz von Online-Datenbanken für Objektinnovationen im Systemgeschäft

    OpenAIRE

    Noch, Rainer

    1990-01-01

    Der Einsatz von Online-Datenbanken für Objektinnovationen im Systemgeschäft. - Augsburg : FGM-Verl., 1990. - 62, LVII S. - Zugl.: Augsburg, Univ., Diplomarb. - (Arbeitspapiere zur Schriftenreihe Schwerpunkt Marketing ; 31)

  1. Observational constraints on f(T) gravity from varying fundamental constants

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, Rafael C.; Bonilla, Alexander [Universidade Federal de Juiz de Fora, Departamento de Fisica, Juiz de Fora, MG (Brazil); Pan, Supriya [Indian Institute of Science Education and Research, Kolkata, Department of Physical Sciences, Mohanpur, West Bengal (India); Saridakis, Emmanuel N. [Pontificia Universidad de Catolica de Valparaiso, Instituto de Fisica, Valparaiso (Chile); National Technical University of Athens, Physics Division, Athens (Greece); Baylor University, CASPER, Physics Department, Waco, TX (United States)

    2017-04-15

    We use observations related to the variation of fundamental constants, in order to impose constraints on the viable and most used f(T) gravity models. In particular, for the fine-structure constant we use direct measurements obtained by different spectrographic methods, while for the effective Newton constant we use a model-dependent reconstruction, using direct observational Hubble parameter data, in order to investigate its temporal evolution. We consider two f(T) models and we quantify their deviation from Λ CDM cosmology through a sole parameter. Our analysis reveals that this parameter can be slightly different from its Λ CDM value, however, the best-fit value is very close to the Λ CDM one. Hence, f(T) gravity is consistent with observations, nevertheless, as every modified gravity, it may exhibit only small deviations from Λ CDM cosmology, a feature that must be taken into account in any f(T) model-building. (orig.)

  2. FT-IR, Raman and DFT studies on the vibrational spectra of 2,2-bis ...

    African Journals Online (AJOL)

    propane (baep) were examined both experimentally and theoretically including FT-IR and Raman spectroscopic methods. Among the possible structural configurations, 30 of them were handled in the framework of this study. The structural ...

  3. Overexpression of PaFT gene in the wild orchid Phalaenopsis amabilis (L.) Blume

    Science.gov (United States)

    Semiarti, Endang; Mercuriani, Ixora S.; Rizal, Rinaldi; Slamet, Agus; Utami, Bekti S.; Bestari, Ida A.; Aziz-Purwantoro, Moeljopawiro, S.; Jang, Soenghoe; Machida, Y.; Machida, C.

    2015-09-01

    To shorten vegetative stage and induce transition from vegetative to reproductive stage in orchids, we overexpressed Phalaenopsis amabilis Flowering LocusT (PaFT) gene under the control of Ubiquitin promoter into protocorm of Indonesian Wild Orchid Phalaenopsis amabilis (L.) Blume. The dynamic expression of vegetative gene Phalaenopsis Homeobox1 (POH1) and flowering time gene PaFT has been analyzed. Accumulation of mRNA was detected in shoot and leaves of both transgenic and non transgenic plants by using Reverse transcriptase-PCR (RT-PCR) with specific gene primers for POH1 and PaFT in 24 months old plants. To analyze the POH1 and PaFT genes, three pairs of degenerate primers PaFT degF1R1, F2R2 and F3R3 that amplified 531 bp PaFT cDNA were used. We detected 700 bp PaFTcDNA from leaves and shoots of transgenic plants, but not in NT plants. POH1 mRNA was detected in plants. PaFT protein consists of Phospatidyl Ethanolamine-Binding Protein (PEBP) in interval base 73-483 and CETS family protein at base 7-519, which are important motif for transmembrane protein. We inserted Ubipro::PaFT/pGAS101 into P. amabilis protocorm using Agrobacterium. Analysis of transgenic plants showed that PaFTmRNA was accumulated in leaves of 12 months after sowing, although it is not detected in non transgeic plants. Compare to the wild type (NT plants), ectopic expression of PaFT shows alter phenotype as follows: 31% normal, 19% with short-wavy leaves, 5% form rosette leaves and 45% produced multishoots. Analysis of protein profiles of trasgenic plants showed that a putative PaFT protein (MW 19,7 kDa) was produced in 1eaves and shoots.This means that at 12 months, POH1 gene expression gradually decreased/negatively regulated, the expression of PaFT gene was activated, although there is no flower initiation yet. Some environmental factors might play a role to induce inflorescens. This experiment is in progress.

  4. Determination of polymer content in energetic materials by FT-IR

    Directory of Open Access Journals (Sweden)

    Elizabeth C. Mattos

    2009-06-01

    Full Text Available A new methodology was developed to characterize and to quantify the polymer content in PBX (HMX/Viton by Fourier Transform Infrared Spectroscopy (FT-IR, using the Termogravimetric analysis (TG as reference techniques for the quantitative method. The quantification methodology, proposed by us, using the Fourier transform infrared-attenuated total reflectance (FT-IR/ATR showed excellent results, being faster than the usual methodologies and can eliminate the generation of chemical residues.

  5. Vibrational spectra (FT-IR, FT-Raman), frontier molecular orbital, first hyperpolarizability, NBO analysis and thermodynamics properties of Piroxicam by HF and DFT methods

    Science.gov (United States)

    Suresh, S.; Gunasekaran, S.; Srinivasan, S.

    2015-03-01

    The solid phase FT-IR and FT-Raman spectra of 4-Hydroxy-2-methyl-N-(2-pyridinyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide (Piroxicam) have been recorded in the region 4000-400 and 4000-100 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of piroxicam in the ground state have been calculated by Hartree-Fock (HF) and density functional theory (DFT) methods using 6-311++G(d,p) basis set. The calculated harmonic vibrational frequencies are scaled and they are compared with experimental obtained by FT-IR and FT-Raman spectra. A detailed interpretation of the vibrational spectra of the title compound has been made on the basis of the calculated potential energy distribution (PED). The electronic properties, such as HOMO and LUMO energies, molecular electrostatic potential (MESP) are also performed. The linear polarizability (α) and the first order hyper polarizability (β) values of the title compound have been computed. The molecular stability arising from hyper conjugative interaction, charge delocalization has been analyzed using natural bond orbital (NBO) analysis.

  6. Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory.

    Science.gov (United States)

    Atac, Ahmet; Karabacak, Mehmet; Kose, Etem; Karaca, Caglar

    2011-12-01

    The spectroscopic properties of the nicotinamide N-oxide (abbreviated as NANO, C(6)H(6)N(2)O(2)) were examined by FT-IR, FT-Raman, NMR and UV techniques. FT-IR and FT-Raman spectra in solid state were observed in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The (1)H and (13)C NMR spectra were recorded in DMSO. The UV absorption spectrum of the compound that dissolved in water was recorded in the range of 200-800 nm. The structural and spectroscopic data of the molecule in the ground state were calculated by using Density Functional Theory (DFT) employing B3LYP methods with the 6-311++G(d,p) basis set. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. The optimized structure of compound was interpreted and compared with the reported experimental values. The observed vibrational wavenumbers, absorption wavelengths and chemical shifts were compared with calculated values. As a result, the optimized geometry and calculated spectroscopic data show a good agreement with the experimental results. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Cu(I)/Cu(II) templated functional pseudorotaxanes and rotaxanes

    Indian Academy of Sciences (India)

    we focus on the synthetic strategies developed to construct pseudorotaxanes and rotaxanes using Cu(I)/Cu(II) ions as template. Further, brief discussions ... the metal templated synthesis of interlocked molecules. In the absence of a metal template, .... hindering 2,2 -bipyridine derivative (figure 6). An elec- trochemical signal ...

  8. Cu(I)/Cu(II) templated functional pseudorotaxanes and rotaxanes

    Indian Academy of Sciences (India)

    coordinate monovalent complex is first oxidized to an intermediate tetrahedral divalent species. This com- pound undergoes a complete reorganization process by translating the ring along the thread to afford the sta- ble 5-coordinate Cu (II) complex. Upon reduction, an unstable Cu(I) 5-coordinated complex is formed, and.

  9. DIFFUSION MECHANISM OF CU ADATOMS ON A CU(001) SURFACE

    NARCIS (Netherlands)

    BARKEMA, GT; BREEMAN, M; PASQUARELLO, A; CAR, R

    1994-01-01

    Ab initio calculations on surface diffusion of Cu adatoms on Cu(001) are presented. The hopping mechanism with a calculated energy barrier of 0.69 eV is found to be favorable over the exchange mechanism with 0.97 eV. We find from the geometry relaxations that adatoms are significantly attracted to

  10. Synthesis of Fatty Alcohols from Oil Palm Using a Catalyst of Ni-Cu Supported onto Zeolite

    OpenAIRE

    L. Giraldo; G. Camargo; J. Tirano; J. C. Moreno-Piraján

    2010-01-01

    A series of Ni-Cu supported onto zeolite type ZSM-5 has been synthesized by direct hydrothermal method without template agent and characterized using XRD, FT-IR, NRM mass, SEM, CG and N2 adsorption techniques. The catalytic performance of the obtained materials was evaluated and utilized for the hydrogenation of palm oil at 453 K and 40 atmospheres of pressure. The results show that the samples exhibited typical hexagonal arrangement of mesoporous structure with high surface area and the hete...

  11. Synthesis and characterization of mixed ligand Cu(II) complexes of salicylic acid derivatives with 2-aminobenzotiyazol derivatives

    OpenAIRE

    İlkimen, Halil; Yenikaya, Cengiz

    2018-01-01

    In thisstudy, mixed ligand transitionmetal complexes of Cu(II)have been prepared between salicylic acid derivatives [salicylic acid (H2sal) or acetylsalicylic acid (Hasal)] and 2-aminobenzothiazole derivatives[2-aminobenzothiazole (abt) or 2-amino-6-chlorobenzothiazole (Clabt) or2-amino-6-methylbenzothiazole (Meabt)]. The structures of amorphous metalcomplexes have been proposed by evaluating the data obtained from elementalanalysis, ICP-OES, FT-IR, UV-Vis, thermal analysis, magnetic suscepti...

  12. A Comparison Study of Mechanism: Cu2+ Adsorption on Different Adsorbents and Their Surface-Modified Adsorbents

    OpenAIRE

    Yaqin Yu; Xinrui Li; Jiemin Cheng

    2016-01-01

    The isothermal adsorption kinetics of Cu2+ onto Carbon Black (CB) and Oxidized Carbon Black (OCB) were studied under different solution conditions and compared with bentonite and organic bentonite with the hexadecyltrimethylammonium bromide (HDTMA). The adsorption capacities followed the order of OCB > CB > organic bentonite > bentonite, which was consistent with the orders of their surface roughness and specific surface area. The Fourier transmission infrared (FT-IR) spectroscopy, scanning e...

  13. Beta decay of Cu-56

    NARCIS (Netherlands)

    Borcea, R; Aysto, J; Caurier, E; Dendooven, P; Doring, J; Gierlik, M; Gorska, M; Grawe, H; Hellstrom, M; Janas, Z; Jokinen, A; Karny, M; Kirchner, R; La Commara, M; Langanke, K; Martinez-Pinedo, G; Mayet, P; Nieminen, A; Nowacki, F; Penttila, H; Plochocki, A; Rejmund, M; Roeckl, E; Schlegel, C; Schmidt, K; Schwengner, R; Sawicka, M

    2001-01-01

    The proton-rich isotope Cu-56 was produced at the GSI On-Line Mass Separator by means of the Si-28(S-32, p3n) fusion-evaporation reaction. Its beta -decay properties were studied by detecting beta -delayed gamma rays and protons. A half-Life of 93 +/- 3 ms was determined for Cu-56. Compared to the

  14. Electronic Structure of the [Cu

    NARCIS (Netherlands)

    Vogiatzis, Konstantinos D.; Li, G.; Hensen, Emiel J M; Gagliardi, Laura; Pidko, E.A.

    2017-01-01

    Identifying Cu-exchanged zeolites able to activate C-H bonds and selectively convert methane to methanol is a challenge in the field of biomimetic heterogeneous catalysis. Recent experiments point to the importance of trinuclear [Cu3(μ-O)3]2+ complexes inside the

  15. Renal Cu and Na excretion and hepatic Cu metabolism in both Cu acclimated and non acclimated rainbow trout (Oncorhynchus mykiss)

    DEFF Research Database (Denmark)

    Grosell, M.; Hogstrand, C.; Wood, C.M.

    1998-01-01

    Cu-64 and,, total Cu accumulation were measured in gills, plasma, liver, kidney, bile and urine during 72 h of exposure to Cu-64, at 20 mu g Cu l(-1), in non-acclimated and Cu-acclimated (28 days of pre-exposure) rainbow trout (Oncorhynchus mykiss) fitted with urinary bladder catheters. Renal Cu...... excretion gradually declined from 0.03 mu g Cu kg(-1) h(-1) in non-exposed fish to 0.01 mu g Cu kg(-1) h(-1) after 28 days of Cu exposure. A comparison of the Cu-64-labelled Cu and the total Cu excretion rates and the corresponding renal clearance revealed apparent differences in Cu binding to plasma...... protein depending on whether the Cu is derived from recent branchial uptake or is already present in the plasma prior to Cu-64 exposure. The plasma Cu pool derived from recent branchial uptake and the Cu pool present in the plasma prior to Cu-64 exposure is accessible to renal excretion to different...

  16. Unravelling the composition of the surface layers formed on Cu, Cu-Ni, Cu-Zn and Cu-Ni-Zn in clean and polluted environments

    Energy Technology Data Exchange (ETDEWEB)

    Awad, Nasser K.; Ashour, E.A. [National Research Centre, Electrochemistry and Corrosion Lab., Dokki, Cairo 12422 (Egypt); Allam, Nageh K., E-mail: nageh.allam@aucegypt.edu [National Research Centre, Electrochemistry and Corrosion Lab., Dokki, Cairo 12422 (Egypt); Energy Materials Laboratory (EML), Physics Department, School of Sciences and Engineering, The American University in Cairo, New Cairo 11835 (Egypt)

    2015-08-15

    Graphical abstract: - Highlights: • Mixed oxides were detected over Cu-Zn while only Cu{sub 2}O is detected over Cu-Ni surface. • Mixed oxides/hydroxides were detected on the surface of Cu-Ni-Zn. • Although ZnS is a wide bandgap semiconductor, it enhances the ionic conduction. • Both XPS and XRD analyses confirm the absence of any copper sulphide in case of Cu-Ni-Zn. • Polysulfide (S{sub 8}) is formed on the surface of Cu-Ni and Cu-Zn. - Abstract: The performance of copper and copper-based alloys in working environments is controlled by the composition of the layers formed on their surfaces. Herein, we report the detailed structural and compositional analyses of the layers formed on the surface of Cu, Cu-Ni, Cu-Zn and Cu-Ni-Zn upon their use in both NaCl and Na{sub 2}S-polluted NaCl solutions. In clean NaCl environments, X-ray photoelectron spectroscopy (XPS) analysis revealed that Cu{sub 2}O is the major compound formed over the surfaces of pure Cu and Cu-Ni, whereas mixed oxides/hydroxides were detected over the surfaces of Cu-Zn (Cu{sub 2}O and ZnO) and Cu-Ni-Zn alloy (CuO, ZnO, Cu(OH){sub 2} and Ni(OH){sub 2}). However, in Na{sub 2}S- polluted NaCl environments, sulphide compounds (such as Cu{sub 2}S) were detected on the surfaces of Cu-Ni and Cu-Zn. X-ray diffraction (XRD) analysis confirmed the XPS findings, where Cu{sub 2}O was confirmed in case of Cu and CuO in case of Cu-Ni-Zn in pure NaCl solutions. However, in sulphide-polluted media, compounds such as Cu{sub 4}(S{sub 2}){sub 2}(CuS{sub )2} were identified in case of Cu-Ni, and CuS in case of Cu-Zn. Further, the morphology of the surface of Cu-Ni-Zn tested in Na{sub 2}S-polluted NaCl solution looks compact and has a wide band gap (4.47 eV) as revealed from the UV–vis absorption measurements. Therefore, the formation of mixed oxides/hydroxides and/or sulphides on the surface of Cu-Ni-Zn alloy is ultimately responsible for the enhancement of its dissolution resistance.

  17. Status of Standardization Projects

    Science.gov (United States)

    1993-12-31

    CR SC BE 5935 3972 P-C-596- CON [EE PWR GEN SPEC FOP ESE 5 F7 94’ 953 9z3 A CR VD: BE ES N PAGE NO. A - 51 5935-5935 RCS NO. DD-OR&E(AR)759...DR&E(AR)759 STANDARDIZATION PROJECTS REPORT - 1ST QTR FY 1994 PREPARING ACTIVITY LISTING PA AAPAA p BPP .A- G/ASA NC AC 21 RC G CSOL- Qý yqFyýFT7RL AL...T-83727/1 TRANSOLVER TYPE 11.9 85 ES HE 941 9E- 5A 4,R AS F7 N 5990 0425 02 MIL-T-83727/2 TRANSOLVER TYPE 11.8 85 ES HE 941 95: 951 A Aý AS BE N 5990

  18. GmFT2a polymorphism and maturity diversity in soybeans.

    Science.gov (United States)

    Jiang, Bingjun; Yue, Yanlei; Gao, Youfei; Ma, Liming; Sun, Shi; Wu, Cunxiang; Hou, Wensheng; Lam, Hon-Ming; Han, Tianfu

    2013-01-01

    Soybean is a short-day crop of agricultural, ecological, and economic importance. The sensitive photoperiod responses significantly limit its breeding and adaptation. GmFT2a, a putative florigen gene with different transcription profiles in two cultivars (late-maturing Zigongdongdou and early-maturing Heihe 27) with different maturity profiles, is key to flowering and maturation. However, up to now, its role in the diverse patterns of maturation in soybeans has been poorly understood. Eighty varieties, including 19 wild accessions, covering 11 of all 13 maturity groups, were collected. They were planted in pots and maintained under different photoperiodicity conditions (SD, short day; LD, long day; and ND, natural day). The day to first flowering was recorded and the sensitivity to photoperiod was investigated. Polymorphisms in the GmFT2a coding sequence were explored by searching the known SNP database (NCBI dbSNP). The GmFT2a promoter regions were then cloned from these varieties and sequenced. Further polymorphism and association analyses were conducted. These varieties varied greatly in time to first flowering under ND and exhibited a consecutive distribution of photoperiod sensitivity, which suggested that there is rich diversity in flowering time. Furthermore, although GmFT2a had only one known synonymous SNP in the coding sequence, there were 17 haplotypes of the GmFT2a promoter region, HT06 of which was extremely abundant. Further association analysis found some SNPs that might be associated with day to first flowering and photoperiod sensitivity. Although GmFT2a is a key flowering gene, GmFT2a polymorphism does not appear to be responsible for maturity diversity in soybean.

  19. In Situ Encapsulation of Ultrasmall CuO Quantum Dots with Controlled Band-Gap and Reversible Thermochromism.

    Science.gov (United States)

    Ge, Yuzhen; Shah, Zameer Hussain; Wang, Cui; Wang, Jiasheng; Mao, Wenxin; Zhang, Shufen; Lu, Rongwen

    2015-12-09

    Silica encapsulated ultrasmall CuO quantum dots (QDs; CuO@SiO2) were synthesized by reverse microemulsion. The CuO QDs with sizes ranging from 2.0 to 1.0 nm with corresponding band gaps of 1.4 to 2.6 eV were prepared simply by varying the concentration of the Cu(2+) precursor. The samples were characterized by Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and UV-vis spectroscopy. The CuO@SiO2 composite displayed reversible thermochromism which resulted from the strong electron-phonon coupling of ultrasmall CuO in the confined space of SiO2 and the enhanced band-gap shift in the visible light region depending on temperature. Besides, the as synthesized CuO@SiO2 was found to be highly stable for reversible thermochromism due to the micropore structure of silica matrix and local confinement of the QDs.

  20. Beer fermentation: monitoring of process parameters by FT-NIR and multivariate data analysis.

    Science.gov (United States)

    Grassi, Silvia; Amigo, José Manuel; Lyndgaard, Christian Bøge; Foschino, Roberto; Casiraghi, Ernestina

    2014-07-15

    This work investigates the capability of Fourier-Transform near infrared (FT-NIR) spectroscopy to monitor and assess process parameters in beer fermentation at different operative conditions. For this purpose, the fermentation of wort with two different yeast strains and at different temperatures was monitored for nine days by FT-NIR. To correlate the collected spectra with °Brix, pH and biomass, different multivariate data methodologies were applied. Principal component analysis (PCA), partial least squares (PLS) and locally weighted regression (LWR) were used to assess the relationship between FT-NIR spectra and the abovementioned process parameters that define the beer fermentation. The accuracy and robustness of the obtained results clearly show the suitability of FT-NIR spectroscopy, combined with multivariate data analysis, to be used as a quality control tool in the beer fermentation process. FT-NIR spectroscopy, when combined with LWR, demonstrates to be a perfectly suitable quantitative method to be implemented in the production of beer. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Molecular structure and vibrational analysis of Trifluoperazine by FT-IR, FT-Raman and UV-Vis spectroscopies combined with DFT calculations.

    Science.gov (United States)

    Rajesh, P; Gunasekaran, S; Gnanasambandan, T; Seshadri, S

    2015-02-25

    The complete vibrational assignment and analysis of the fundamental vibrational modes of Trifluoperazine (TFZ) was carried out using the experimental FT-IR, FT-Raman and UV-Vis data and quantum chemical studies. The observed vibrational data were compared with the wavenumbers derived theoretically for the optimized geometry of the compound from the DFT-B3LYP gradient calculations employing 6-31G (d,p) basis set. Thermodynamic properties like entropy, heat capacity and enthalpy have been calculated for the molecule. The HOMO-LUMO energy gap has been calculated. The intramolecular contacts have been interpreted using natural bond orbital (NBO) and natural localized molecular orbital (NLMO) analysis. Important non-linear properties such as first hyperpolarizability of TFZ have been computed using B3LYP quantum chemical calculation. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Cu-Cr Literature Review

    Energy Technology Data Exchange (ETDEWEB)

    Need, Ryan F. [Los Alamos National Laboratory

    2012-08-09

    Cu-Cr alloys are part of a class of face-centered cubic (FCC)-body-centered cubic (BCC) composites that includes similar alloys, such as Cu-Nb and Cu-Ta. When heavily deformed, these FCC-BCC materials create 'in situ' composites with a characteristic structure-nanoscale BCC filaments in a ductile FCC matrix. The strength of these composites is vastly greater than predicted by the rule of mixtures, and has been shown to be inversely proportional to the filament spacing. Lower raw materials costs suggest that Cu-Cr alloys may offer more economical solution to high-strength, high-conductivity wire than either their Nb or Ta counterparts. However, Cr is also more brittle and soluble in Cu than Nb or Ta. These qualities necessitate thermal treatments to remove solute atoms from the Cu matrix, improve conductivity, and maintain the ductility of the Cr filaments. Through the use of different thermomechanical processing routes or the addition of select dopants, alloys with strength in excess of 1 GPa at 70% IACS have been achieved. To date, previous research on Cu-Cr alloys has focused on a relatively small number of alloy compositions and processing methods while the effects of dopants and ageing treatments have only been studied independently. Consequently, there remains considerable opportunity for the development and optimization of these alloys as a leading high-strength, high-conductivity material.

  3. Study of structural and magnetic properties of (Co–Cu)Fe{sub 2}O{sub 4}/PANI composites

    Energy Technology Data Exchange (ETDEWEB)

    Hashim, Mohd., E-mail: md.hashim09@gmail.com [Department of Applied Physics, Aligarh Muslim University, Aligarh 202 002 (India); Alimuddin [Department of Applied Physics, Aligarh Muslim University, Aligarh 202 002 (India); Shirsath, Sagar E. [Spin Device Technology Centre, Department of Information Engineering, Shinshu University, Nagano 380-8553 (Japan); Meena, S.S. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kotnala, R.K. [National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110 012 (India); Kumar, Shalendra [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Bhatt, Pramod [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Jotania, R.B. [Department of Physics, School of Science, Gujarat University, Ahmedabad 380 009 (India); Kumar, Ravi [Centre for Material Science Engineering, National Institute of Technology, Hamirpur 171 005, HP (India)

    2013-08-15

    The nanocomposites of the polyaniline and Co{sub 1−x}Cu{sub x}Fe{sub 2}O{sub 4} (PANI/CoCuFe) were prepared by in-situ oxidative polymerization of aniline. Prepared nanocomposites samples were characterized by using various experimental techniques like X-ray diffraction (XRD), Fourier transformed infrared spectroscopy (FT-IR), field emission scanning electron microscope (FE-SEM), vibrating sample magnetometer (VSM), Mössbauer spectroscopy and ultraviolet–visible spectrophotometry (UV–VIS). The elemental analysis as obtained from the energy dispersive X-ray spectroscopy (EDAX) measurement is in close agreement with the expected composition from the stoichiometry of the reactant solutions. XRD result confirms that all the samples have the single phase cubic spinel structure. Unit cell parameter ‘a’ is found to decrease with the increase in copper ion substitution. The crystallite size was investigated by using the Debye–Scherer formula and it was found in the range of ∼28–37 nm. FE-SEM confirmed the homogeneous and well defined surface morphology of the synthesized samples. FT-IR study showed the main absorption bands corresponding to the spinel structure those arose due to the tetrahedral and octahedral stretching vibrations. Cation distribution was estimated using XRD data. Hysteresis measurements revealed that the saturation magnetization decreased with increase in Cu{sup 2+} substitution. Magnetic environment of {sup 57}Fe in Cu-doped cobalt ferrite was investigated by using Mössbauer spectroscopy. Mössbauer study evidenced the ferrimagnetic behavior of the synthesized samples. - Highlights: • Crystallite size decreases with increasing Cu{sup 2+} substitution. • The prepared samples show the formation of single phase cubic spinel structure. • Cation distribution shows that Cu and Co ions shows strong preference toward octahedral B site. • Magnetization decreases with increasing Cu{sup 2+} substitution. • Mössbauer study shows

  4. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.

    Science.gov (United States)

    Govindarajan, M; Karabacak, M; Periandy, S; Tanuja, D

    2012-11-01

    In this work, the experimental and theoretical study on the molecular structure and vibrational spectra of 2,4,5-trichloroaniline (C(6)H(4)NCl(3), abbreviated as 2,4,5-TClA) were studied. The FT-IR and FT-Raman spectra were recorded. The molecular geometry and vibrational frequencies in the ground state were calculated by using the Hartree-Fock (HF) and density functional theory (DFT) methods (B3LYP) with 6-311++G(d,p) basis set. Comparison of the observed fundamental vibrational frequencies of 2,4,5-TClA with calculated results by HF and DFT indicates that B3LYP is superior to HF method for molecular vibrational problems. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. The theoretically predicted FT-IR and FT-Raman spectra of the title molecule have been constructed. A study on the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. Besides, molecular electrostatic potential (MEP) and thermodynamic properties were performed. The electric dipole moment (μ) and the first hyperpolarizability (β) values of the investigated molecule were computed using ab initio quantum mechanical calculations. The calculated results also show that the 2,4,5-TClA molecule may have microscopic nonlinear optical (NLO) behavior with non-zero values. Mulliken atomic charges of 2,4,5-TClA was calculated and compared with aniline and chlorobenzene molecules. The (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations.

    Science.gov (United States)

    Karabacak, Mehmet; Bilgili, Sibel; Mavis, Tugba; Eskici, Mustafa; Atac, Ahmet

    2013-11-01

    In this work, FT-IR, FT-Raman, UV and NMR spectra of 3-ethynylthiophene (3-ETP, C6H4S) were carried out by using density functional theory DFT/B3LYP method with the 6-311++G(d,p), 6-311+G(d,p), 6-311G(d,p), 6-31++G(d,p), 6-31+G(d,p), 6-31G(d,p) basis sets. FT-IR and FT-Raman spectra were recorded in the regions of 3500-400cm(-1) and 3500-50cm(-1), respectively. The geometrical parameters, energies and wavenumbers were obtained and the complete assignments of fundamental vibrations were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. The (1)H, (13)C and HMQC ((1)H-(13)C correlation) NMR spectra in chloroform (CDCl3) were recorded and calculated. The UV spectrum of investigated compound were recorded in the region of 200-400nm in ethanol solution. The electronic properties, such as excitation energies, absorption wavelengths, HOMO and LUMO energies were performed by DFT/B3LYP approach and the results were compared with experimental observations. The thermodynamic properties such zero-point vibrational energy, thermal energy, specific heat capacity, rotational constants, entropy, and dipole moment of the studied compound were calculated. As a result, the calculated results were compared with the observed data and found to be in good agreement. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Spontaneous atopic dermatitis-like symptoms in a/a ma ft/ma ft/J flaky tail mice appear early after birth.

    Directory of Open Access Journals (Sweden)

    Magdalini Kypriotou

    Full Text Available Loss-of-function mutations in human profilaggrin gene have been identified as the cause of ichthyosis vulgaris (IV, and as a major predisposition factor for atopic dermatitis (AD. Similarly, flaky tail (a/a ma ft/ma ft/J mice were described as a model for IV, and shown to be predisposed to eczema. The aim of this study was to correlate the flaky tail mouse phenotype with human IV and AD, in order to dissect early molecular events leading to atopic dermatitis in mice and men, suffering from filaggrin deficiency. Thus, 5-days old flaky tail pups were analyzed histologically, expression of cytokines was measured in skin and signaling pathways were investigated by protein analysis. Human biopsies of IV and AD patients were analyzed histologically and by real time PCR assays. Our data show acanthosis and hyperproliferation in flaky tail epidermis, associated with increased IL1β and thymic stromal lymphopoietin (TSLP expression, and Th2-polarization. Consequently, NFκB and Stat pathways were activated, and IL6 mRNA levels were increased. Further, quantitative analysis of late epidermal differentiation markers revealed increased Small proline-rich protein 2A (Sprr2a synthesis. Th2-polarization and Sprr2a increase may result from high TSLP expression, as shown after analysis of 5-days old K14-TSLP tg mouse skin biopsies. Our findings in the flaky tail mouse correlate with data obtained from patient biopsies of AD, but not IV. We propose that proinflammatory cytokines are responsible for acanthosis in flaky tail epidermis, and together with the Th2-derived cytokines lead to morphological changes. Accordingly, the a/a ma ft/ma ft/J mouse model can be used as an appropriate model to study early AD onset associated with profilaggrin deficiency.

  7. Characterization of process-induced damage in Cu/low-k interconnect structure by microscopic infrared spectroscopy with polarized infrared light

    Energy Technology Data Exchange (ETDEWEB)

    Seki, Hirofumi, E-mail: Hirofumi-Seki@trc.toray.co.jp; Hashimoto, Hideki [Toray Research Center, Inc., 3-3-7 Sonoyama, Otsu, Shiga 520-8567 (Japan); Ozaki, Yukihiro [Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, 2-1, Gakuen, Sanda, Hyogo 669-1337 (Japan)

    2016-09-07

    Microscopic Fourier-transform infrared (FT-IR) spectra are measured for a Cu/low-k interconnect structure using polarized IR light for different widths of low-k spaces and Cu lines, and for different heights of Cu lines, on Si substrates. Although the widths of the Cu line and the low-k space are 70 nm each, considerably smaller than the wavelength of the IR light, the FT-IR spectra of the low-k film were obtained for the Cu/low-k interconnect structure. A suitable method was established for measuring the process-induced damage in a low-k film that was not detected by the TEM-EELS (Transmission Electron Microscope-Electron Energy-Loss Spectroscopy) using microscopic IR polarized light. Based on the IR results, it was presumed that the FT-IR spectra mainly reflect the structural changes in the sidewalls of the low-k films for Cu/low-k interconnect structures, and the mechanism of generating process-induced damage involves the generation of Si-OH groups in the low-k film when the Si-CH{sub 3} bonds break during the fabrication processes. The Si-OH groups attract moisture and the OH peak intensity increases. It was concluded that the increase in the OH groups in the low-k film is a sensitive indicator of low-k damage. We achieved the characterization of the process-induced damage that was not detected by the TEM-EELS and speculated that the proposed method is applicable to interconnects with line and space widths of 70 nm/70 nm and on shorter scales of leading edge devices. The location of process-induced damage and its mechanism for the Cu/low-k interconnect structure were revealed via the measurement method.

  8. Facile synthesis, characterization and magnetic property of CuFe12O19 nanostructures via a sol-gel auto-combustion process

    Science.gov (United States)

    Ansari, Fatemeh; Sobhani, Azam; Salavati-Niasari, Masoud

    2016-03-01

    Copper hexaferrite (CuFe12O19) nanostructures were prepared by a simple route utilizing maltose-assisted sol-gel process. The morphology, phase structure, composition and purity of nanostructures can be controlled by type of surfactant and also adjusting the Cu:surfactant, Cu:Fe and Cu:reductant ratios. The bean-shape structures are formed in the absence of the surfactant when the molar ratio of Cu:Fe and Cu:reductant are 1:12 and 1:26, respectively. The agglomerated spherical nanoparticles with diameters ranging from 7 to 20 nm are obtained in the presence of triplex, when ratio of Cu:reductant is 1:26. In the absence of surfactant and also in the presence of triplex, the samples are found to be CuFe12O19. When polymer is used, there are still the peaks of CuFe12O19 and also some boad peaks in XRD patterns, because of the small size and encapsulation of nanostructures with polymer. Magnetic measurments show superparamagnetic behavior for the all samples. The Ms for the samples obtained in the presence of polymer shows that the coating of magnetic nanostructures does not always increase Ms. FT-IR frequency bands in the range 463-626, 607 and 542 cm-1 correspond to the formation of metal oxides in ferrites.

  9. Fabrication of novel nanohybrids by impregnation of CuO nanoparticles into bacterial cellulose and chitosan nanofibers: Characterization, antimicrobial and release properties.

    Science.gov (United States)

    Almasi, Hadi; Jafarzadeh, Paria; Mehryar, Laleh

    2018-04-15

    The efficiency of bacterial cellulose nanofibers (BCNF) and chitosan nanofibers (CHNF) were compared, aiming at fabricating novel organic-inorganic nanohybrids containing copper oxide (CuO) nanoparticles (NPs). FT-IR spectra confirmed the formation of real nanohybrids through occurring new interactions between CuO NPs and nanofibers. XRD results indicated that both the crystallite size and the crystallinity index of nanofibers decreased after nanohybrid formation. Noticeably, these morphological changes for CHNF were more than those for BCNF. Strong attachment of CuO-NPs to the BCNF and CHNF nanofibrils was observed in FE-SEM images. After 72 h, CuO releasing for CuO-BCNF and CuO-CHNF nanohybrids was recorded as 65.5% and 47.7%, respectively. The antibacterial activity of CuO NPs against both Gram-positive and Gram-negative bacteria decreased after attachment to BCNF. However, a synergistic effect was observed between CuO and CHNF on the antimicrobial activity of CuO-CHNF nanohybrid. This study demonstrated the potential of fabricated nanohybrids in water purification and food packaging applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

    Science.gov (United States)

    Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

    2017-03-01

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  11. Possible mechanism of superconductivity in CuO-Cu interface

    CERN Document Server

    Amelin, I I

    2002-01-01

    The CuO two-dimensional lattice consisting of the Cu sup 2 sup + and O sup 1 sup - ions which form the narrow partially filled two-dimensional zone is apparently formed in the CuO-Cu interface on the copper oxide surface. In this case formation of local electron pairs (LEP) is possible in the plane oxygen subsystem due to the Shubin-Vonsovskii conditions. In this approximation rough evaluation of the LEP formation temperature results in the T* approx 10 sup 4 K value. The temperature of the initial Bose-Einstein condensation by the concentration in the interface layer n approx 1.6 x 10 sup 2 sup 0 cm sup - sup 3 and the carriers effective mass m* approx m sub e may have the value of T sub c approx 1000 K. The obtained evaluation of the T sub c temperature corresponds by the values order to the experimental value

  12. Growth of CuS Nanostructures by Hydrothermal Route and Its Optical Properties

    Directory of Open Access Journals (Sweden)

    Murugan Saranya

    2014-01-01

    Full Text Available CuS nanostructures have been successfully synthesized by hydrothermal route using copper nitrate and sodium thiosulphate as copper and sulfur precursors. Investigations were done to probe the effect of cationic surfactant, namely, Cetyltrimethylammonium bromide (CTAB on the morphology of the products. A further study has been done to know the effect of reaction time on the morphology of CuS nanostructures. The FE-SEM results showed that the CuS products synthesized in CTAB were hexagonal plates and the samples prepared without CTAB were nanoplate like morphology of sizes about 40–80 nm. Presence of nanoplate-like structure of size about 40–80 nm was observed for the sample without CTAB. The synthesized CuS nanostructures were characterized by X-ray diffraction (XRD, FE-SEM, DRS-UV-Vis spectroscopy, and FT-IR spectroscopy. A possible growth mechanism has been elucidated for the growth of CuS nanostructures.

  13. Starch-based polyurethane/CuO nanocomposite foam: Antibacterial effects for infection control.

    Science.gov (United States)

    Ashjari, Hamid Reza; Dorraji, Mir Saeed Seyed; Fakhrzadeh, Vahid; Eslami, Hosein; Rasoulifard, Mohammad Hossein; Rastgouy-Houjaghan, Mehrdad; Gholizadeh, Pourya; Kafil, Hossein Samadi

    2018-05-01

    In the present study, a new method for the synthesis of the open cell flexible polyurethane foams (PUFs) was developed by using starch powder and the modification of closed cell foam formulation. Starch is the second largest polymeric carbohydrate as a macromolecule on this planet with a large number of glucose units. Copper oxide nanoparticles (CuO NPs) were synthesized by thermal degradation method at different temperatures of 400, 600 and 800 °C as antimicrobial agents. The antimicrobial activity of CuO NPs and commercial CuO powder against the main causes of hospital infections were tested. CuO 600 was the most effective antimicrobial agent and enhanced polymer matrix tensile strength with starch powder as new polyurethane foams (PUFs) cell opener with high tensile strength. The effects of parameters on tensile strength were optimized using response surface methodology (RSM). CuO NPs and PUF had optimal conditions and were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). Foam synthesized at the optimal conditions had an open cell structure with high tensile strength and efficient antimicrobial activity that made them suitable to be used as an antimicrobial hospital mattress to control hospital infections. Copyright © 2018 Elsevier B.V. All rights reserved.

  14. FT Raman spectroscopy in the study of human teeth under medications demineralization

    Science.gov (United States)

    de Sant'Anna, G. R.; Nascimento, E. B.; Higa, A. G.; Santos, E. A. P.; Espirito Santo, A. M.; Martín, A. A.

    2015-06-01

    The in situ study evaluated antihistamine (DA) and bronchodilator(DB) drugs actions on dental enamel using FT Raman spectroscopy. Analysis of pH drugs were permorfed, DA 1.48 and DB 2.90. Enamel (n=24) were analysed by FT - Raman and randomly distributed in control group (CG) and experimental groups (GEA and GEB), specimens fixed in palatine appliances. In CG, dripped 20% sucrose (8Xday/3 min)/7 days. In GEA, 20% sucrose (8Xday/3 min) + drug (4Xday/3 min). In GEB, 20% sucrose (8Xday/3 min) B + drug (4Xday/3 min). FT- Raman analysis was performed again. Data analyzed by Student t test and ANOVA Differences in peak intensity of carbonate (CO3) /phosphate (PO4) (pdrugs, reduction in the amount of carbonate, organic and inorganic components were observed, denoting possible demineralization.

  15. Dynamics and Predictors of Serum TSH and fT4 Reference Limits in Early Pregnancy

    DEFF Research Database (Denmark)

    Laurberg, Peter; Andersen, Stine Linding; Hindersson, Peter

    2016-01-01

    CONTEXT: Thyroid hormones are important developmental factors and levels should be adequate both in the pregnant woman and in the fetus. However, there is no consensus on maternal thyroid test reference limits in early pregnancy. OBJECTIVE: Estimation of week-to-week changes in and predictors...... of TSH and free T4 (fT4) reference limits in the first trimester of pregnancy. DESIGN: Measurement of TSH and fT4 in biobank sera collected in pregnancy weeks 5-19 from a random sample of the Danish National Birth Cohort that enrolled 101 032 pregnant in 1996-2002. SETTING: National cohort of pregnant...... women. PARTICIPANTS: Healthy participants (n = 6671) were identified and individual characteristics retrieved using interview data and data from Danish national health registers. INTERVENTION(S): None. MAIN OUTCOME MEASURE(S): Reference limits for TSH and fT4 in each first trimester pregnancy week...

  16. A perturbative approach to neutron stars in f(T, T)-gravity

    Energy Technology Data Exchange (ETDEWEB)

    Pace, Mark; Said, Jackson Levi [University of Malta, Department of Physics, Msida (Malta); University of Malta, Institute of Space Sciences and Astronomy, Msida (Malta)

    2017-05-15

    We derive a Tolman-Oppenheimer-Volkoff equation in neutron star systems within the modified f(T, T)-gravity class of models using a perturbative approach. In our approach f(T, T)-gravity is considered to be a static spherically symmetric space-time. In this instance the metric is built from a more fundamental vierbein which can be used to relate inertial and global coordinates. A linear function f = T(r) + T(r) + χh(T, T) + O(χ{sup 2}) is taken as the Lagrangian density for the gravitational action. Finally we impose the polytropic equation of state of neutron star upon the derived equations in order to derive the mass profile and mass-central density relations of the neutron star in f(T, T)-gravity. (orig.)

  17. Some aspects of reconstruction using a scalar field in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Chakrabarti, Soumya [Indian Institute of Technology, Centre for Theoretical Studies, Kharagpur (India); Said, Jackson Levi [University of Malta, Institute of Space Sciences and Astronomy, Msida, MSD (Malta); Farrugia, Gabriel [University of Malta, Department of Physics, Msida, MSD (Malta)

    2017-12-15

    General relativity characterizes gravity as a geometric property exhibited on spacetime by massive objects, while teleparallel gravity achieves the same results at the level of equations, by taking a torsional perspective of gravity. Similar to the f(R) theory teleparallel gravity can also be generalized to f(T), with the resulting field equations being inherently distinct from f(R) gravity in that they are second order, while in the former case they turn out to be fourth order. In the present case, a minimally coupled scalar field is investigated in the f(T) gravity context for several forms of the scalar field potential. A number of new f(T) solutions are found for these potentials. Their respective state parameters are also being examined. (orig.)

  18. Analytic rotating black-hole solutions in N-dimensional f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Nashed, G.G.L. [The British University in Egypt, Centre for Theoretical Physics, P.O. Box 43, Cairo (Egypt); Ain Shams University, Faculty of Science, Mathematics Department, Cairo (Egypt); Egyptian Relativity Group (ERG), Cairo (Egypt); El Hanafy, W. [The British University in Egypt, Centre for Theoretical Physics, P.O. Box 43, Cairo (Egypt); Egyptian Relativity Group (ERG), Cairo (Egypt)

    2017-02-15

    A non-diagonal vielbein ansatz is applied to the N-dimension field equations of f(T) gravity. An analytical vacuum solution is derived for the quadratic polynomial f(T)=T+εT{sup 2} and an inverse relation between the coupling constant ε and the cosmological constant Λ. Since the induced metric has off-diagonal components, it cannot be removed by a mere coordinate transformation, the solution has a rotating parameter. The curvature and torsion scalars invariants are calculated to study the singularities and horizons of the solution. In contrast to general relativity, the Cauchy horizon differs from the horizon which shows the effect of the higher order torsion. The general expression of the energy-momentum vector of f(T) gravity is used to calculate the energy of the system. Finally, we have shown that this kind of solution satisfies the first law of thermodynamics in the framework of f(T) gravitational theories. (orig.)

  19. HOMO-LUMO, UV, NLO, NMR and vibrational analysis of 3-methyl-1-phenylpyrazole using FT-IR, FT-RAMAN FT-NMR spectra and HF-DFT computational methods.

    Science.gov (United States)

    Carthigayan, K; Xavier, S; Periandy, S

    2015-05-05

    In this paper, the spectral analysis of 3-methyl-1-phenylpyrazole is carried out using the FT-IR, FT Raman, FT NMR and UV-Vis spectra with the help of quantum mechanical computations using HF and density functional theories. The different conformers of the compound and their minimum energies are studied using B3LYP functional with 6-311+G (d,p) basis set and the most stable conformer with minimum energy was identified and the same conformer was used for further computations. The computed wave numbers from different methods are scaled so as to agree with the experimental values and the scaling factors are reported. All the modes of vibrations are assigned and the structure the molecule is analyzed in terms of parameters like bond length, bond angle and dihedral angle predicted by both HF and B3LYP methods with 6-311+G (d,p) and 6-311++G (d,p) basis sets. The values of dipole moment (μ), polarizability (α) and hyperpolarizability (β) of the molecule are reported, using which the non-linear property of the molecule is discussed. The HOMO-LUMO mappings are reported which reveals the different charge transfer possibilities within the molecule. The isotropic chemical shifts predicted for (1)H and (13)C atoms using gauge invariant atomic orbital (GIAO) theory show good agreement with experimental shifts. NBO analysis is carried out to picture the charge transfer between the localized bonds and lone pairs. The thermodynamic properties (heat capacity, entropy and enthalpy) at different temperatures are also calculated. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. AKTIP/Ft1, a New Shelterin-Interacting Factor Required for Telomere Maintenance.

    KAUST Repository

    Burla, Romina

    2015-06-25

    Telomeres are nucleoprotein complexes that protect the ends of linear chromosomes from incomplete replication, degradation and detection as DNA breaks. Mammalian telomeres are protected by shelterin, a multiprotein complex that binds the TTAGGG telomeric repeats and recruits a series of additional factors that are essential for telomere function. Although many shelterin-associated proteins have been so far identified, the inventory of shelterin-interacting factors required for telomere maintenance is still largely incomplete. Here, we characterize AKTIP/Ft1 (human AKTIP and mouse Ft1 are orthologous), a novel mammalian shelterin-bound factor identified on the basis of its homology with the Drosophila telomere protein Pendolino. AKTIP/Ft1 shares homology with the E2 variant ubiquitin-conjugating (UEV) enzymes and has been previously implicated in the control of apoptosis and in vesicle trafficking. RNAi-mediated depletion of AKTIP results in formation of telomere dysfunction foci (TIFs). Consistent with these results, AKTIP interacts with telomeric DNA and binds the shelterin components TRF1 and TRF2 both in vivo and in vitro. Analysis of AKTIP- depleted human primary fibroblasts showed that they are defective in PCNA recruiting and arrest in the S phase due to the activation of the intra S checkpoint. Accordingly, AKTIP physically interacts with PCNA and the RPA70 DNA replication factor. Ft1-depleted p53-/- MEFs did not arrest in the S phase but displayed significant increases in multiple telomeric signals (MTS) and sister telomere associations (STAs), two hallmarks of defective telomere replication. In addition, we found an epistatic relation for MST formation between Ft1 and TRF1, which has been previously shown to be required for replication fork progression through telomeric DNA. Ch-IP experiments further suggested that in AKTIP-depleted cells undergoing the S phase, TRF1 is less tightly bound to telomeric DNA than in controls. Thus, our results collectively

  1. Cu-62, Cu-64 and Cu-66 production with 4.2 MeV deuterons

    International Nuclear Information System (INIS)

    Avila, Mario; Morales, J.R.; Riquelme, H.O.

    1996-01-01

    Full text: The natural copper irradiation with deuterons produces the Cu-62, Cu-64 and Cu-66 radionuclides. Of two radioisotopes, those with deficiencies in neutrons, are applied in nuclear medicine diagnostic processes, mainly for the nuclear characteristic of the decay modes. The positron emitters, of short life mean Cu-62 (9.1 min, β + ) and Cu(12.7 h), are radionuclides applied in radio pharmacological preparation for brain, core, blood flux studies. The radiochemical process consists in the de solution of the irradiated metallic copper target, in acid medium. The result solution, can be neutralized with a base or a buffer at wished pH. Using a deuteron beam of 4,2 ± 0,1 MeV energy has been obtained total yields of 1,103 ± 0,011 μCl/μAh medium for 62 Cu and of 0,148 ± 0,015 μCl/μAh for 64 Cu

  2. M4FT-16LL080302052-Update to Thermodynamic Database Development and Sorption Database Integration

    Energy Technology Data Exchange (ETDEWEB)

    Zavarin, Mavrik [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Glenn T. Seaborg Inst.. Physical and Life Sciences; Wolery, T. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Akima Infrastructure Services, LLC; Atkins-Duffin, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Global Security

    2016-08-16

    This progress report (Level 4 Milestone Number M4FT-16LL080302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Disposal R&D Work Package Number FT-16LL08030205. The focus of this research is the thermodynamic modeling of Engineered Barrier System (EBS) materials and properties and development of thermodynamic databases and models to evaluate the stability of EBS materials and their interactions with fluids at various physico-chemical conditions relevant to subsurface repository environments. The development and implementation of equilibrium thermodynamic models are intended to describe chemical and physical processes such as solubility, sorption, and diffusion.

  3. Designing means and specifications for model FT-619 kidney function instrument

    International Nuclear Information System (INIS)

    Yu Yongding

    1988-04-01

    In this paper, it is pointed out that the model FT-619 Kidney Function Equipment is a new cost-effective nuclear medicine instrument, which takes the leading position in China. The performance of the model FT-619,especially the lead collimated scintillation detector has reached the same level as the advanced equipment in the world market. It is also described in this article in detail that the design of the lead collimator and the shielding as well as the detection efficiency have achieved the optimum level and that a comparison has been made with foreign products

  4. Transcript Profile of Flowering Regulatory Genes in VcFT-Overexpressing Blueberry Plants.

    Directory of Open Access Journals (Sweden)

    Aaron E Walworth

    Full Text Available In order to identify genetic components in flowering pathways of highbush blueberry (Vaccinium corymbosum L., a transcriptome reference composed of 254,396 transcripts and 179,853 gene contigs was developed by assembly of 72.7 million reads using Trinity. Using this transcriptome reference and a query of flowering pathway genes of herbaceous plants, we identified potential flowering pathway genes/transcripts of blueberry. Transcriptome analysis of flowering pathway genes was then conducted on leaf tissue samples of transgenic blueberry cv. Aurora ('VcFT-Aurora', which overexpresses a blueberry FLOWERING LOCUS T-like gene (VcFT. Sixty-one blueberry transcripts of 40 genes showed high similarities to 33 known flowering-related genes of herbaceous plants, of which 17 down-regulated and 16 up-regulated genes were identified in 'VcFT-Aurora'. All down-regulated genes encoded transcription factors/enzymes upstream in the signaling pathway containing VcFT. A blueberry CONSTANS-LIKE 5-like (VcCOL5 gene was down-regulated and associated with five other differentially expressed (DE genes in the photoperiod-mediated flowering pathway. Three down-regulated genes, i.e., a MADS-AFFECTING FLOWERING 2-like gene (VcMAF2, a MADS-AFFECTING FLOWERING 5-like gene (VcMAF5, and a VERNALIZATION1-like gene (VcVRN1, may function as integrators in place of FLOWERING LOCUS C (FLC in the vernalization pathway. Because no CONSTAN1-like or FLOWERING LOCUS C-like genes were found in blueberry, VcCOL5 and VcMAF2/VcMAF5 or VRN1 might be the major integrator(s in the photoperiod- and vernalization-mediated flowering pathway, respectively. The major down-stream genes of VcFT, i.e., SUPPRESSOR of Overexpression of Constans 1-like (VcSOC1, LEAFY-like (VcLFY, APETALA1-like (VcAP1, CAULIFLOWER 1-like (VcCAL1, and FRUITFULL-like (VcFUL genes were present and showed high similarity to their orthologues in herbaceous plants. Moreover, overexpression of VcFT promoted expression of all of

  5. Transcript Profile of Flowering Regulatory Genes in VcFT-Overexpressing Blueberry Plants.

    Science.gov (United States)

    Walworth, Aaron E; Chai, Benli; Song, Guo-Qing

    2016-01-01

    In order to identify genetic components in flowering pathways of highbush blueberry (Vaccinium corymbosum L.), a transcriptome reference composed of 254,396 transcripts and 179,853 gene contigs was developed by assembly of 72.7 million reads using Trinity. Using this transcriptome reference and a query of flowering pathway genes of herbaceous plants, we identified potential flowering pathway genes/transcripts of blueberry. Transcriptome analysis of flowering pathway genes was then conducted on leaf tissue samples of transgenic blueberry cv. Aurora ('VcFT-Aurora'), which overexpresses a blueberry FLOWERING LOCUS T-like gene (VcFT). Sixty-one blueberry transcripts of 40 genes showed high similarities to 33 known flowering-related genes of herbaceous plants, of which 17 down-regulated and 16 up-regulated genes were identified in 'VcFT-Aurora'. All down-regulated genes encoded transcription factors/enzymes upstream in the signaling pathway containing VcFT. A blueberry CONSTANS-LIKE 5-like (VcCOL5) gene was down-regulated and associated with five other differentially expressed (DE) genes in the photoperiod-mediated flowering pathway. Three down-regulated genes, i.e., a MADS-AFFECTING FLOWERING 2-like gene (VcMAF2), a MADS-AFFECTING FLOWERING 5-like gene (VcMAF5), and a VERNALIZATION1-like gene (VcVRN1), may function as integrators in place of FLOWERING LOCUS C (FLC) in the vernalization pathway. Because no CONSTAN1-like or FLOWERING LOCUS C-like genes were found in blueberry, VcCOL5 and VcMAF2/VcMAF5 or VRN1 might be the major integrator(s) in the photoperiod- and vernalization-mediated flowering pathway, respectively. The major down-stream genes of VcFT, i.e., SUPPRESSOR of Overexpression of Constans 1-like (VcSOC1), LEAFY-like (VcLFY), APETALA1-like (VcAP1), CAULIFLOWER 1-like (VcCAL1), and FRUITFULL-like (VcFUL) genes were present and showed high similarity to their orthologues in herbaceous plants. Moreover, overexpression of VcFT promoted expression of all of these

  6. Regular black holes in f(T) Gravity through a nonlinear electrodynamics source

    Energy Technology Data Exchange (ETDEWEB)

    Junior, Ednaldo L.B.; Rodrigues, Manuel E. [Faculdade de Física, PPGF, Universidade Federal do Pará, 66075-110, Belém, Pará (Brazil); Houndjo, Mahouton J.S., E-mail: ednaldobarrosjr@gmail.com, E-mail: esialg@gmail.com, E-mail: sthoundjo@yahoo.fr [Institut de Mathématiques et de Sciences Physiques (IMSP), 01 BP 613, Porto-Novo, Bénin (Benin)

    2015-10-01

    We seek to obtain a new class of exact solutions of regular black holes in f(T) Gravity with non-linear electrodynamics material content, with spherical symmetry in 4D. The equations of motion provide the regaining of various solutions of General Relativity, as a particular case where the function f(T)=T. We developed a powerful method for finding exact solutions, where we get the first new class of regular black holes solutions in the f(T) Theory, where all the geometrics scalars disappear at the origin of the radial coordinate and are finite everywhere, as well as a new class of singular black holes.

  7. M4FT-15LL0806062-LLNL Thermodynamic and Sorption Data FY15 Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Zavarin, M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wolery, T. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-08-31

    This progress report (Milestone Number M4FT-15LL0806062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within Work Package Number FT-15LL080606. The focus of this research is the thermodynamic modeling of Engineered Barrier System (EBS) materials and properties and development of thermodynamic databases and models to evaluate the stability of EBS materials and their interactions with fluids at various physicochemical conditions relevant to subsurface repository environments. The development and implementation of equilibrium thermodynamic models are intended to describe chemical and physical processes such as solubility, sorption, and diffusion.

  8. Aeroderivative Pratt & Whitney FT8-3 gas turbine – an interesting solution for power generation

    Directory of Open Access Journals (Sweden)

    Sorinel-Gicu TALIF

    2011-03-01

    Full Text Available The intermediate load electric power stations become more and more interesting for theelectric power market in Romania. In this context, the Combined Cycle Power Plants came as a veryattractive solution. This paper presents the results of a study regarding the use of the aeroderivativePratt & Whitney FT8-3 gas turbine, available in Romania, for the electric power generation in aCombined Cycle Power Plant. It is also analyzed the Combined Heat in Power generation with FT8-3gas turbine when saturated steam or hot water are required.

  9. Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters

    Science.gov (United States)

    Altürk, Sümeyye; Avcı, Davut; Başoğlu, Adil; Tamer, Ömer; Atalay, Yusuf; Dege, Necmi

    2018-02-01

    Crystal structure of the synthesized copper(II) complex with 6-methylpyridine-2-carboxylic acid, [Cu(6-Mepic)2·H2O]·H2O, was determined by XRD, FT-IR and UV-Vis spectroscopic techniques. Furthermore, the geometry optimization, harmonic vibration frequencies for the Cu(II) complex were carried out by using Density Functional Theory calculations with HSEh1PBE/6-311G(d,p)/LanL2DZ level. Electronic absorption wavelengths were obtained by using TD-DFT/HSEh1PBE/6-311G(d,p)/LanL2DZ level with CPCM model and major contributions were determined via Swizard/Chemissian program. Additionally, the refractive index, linear optical (LO) and non-nonlinear optical (NLO) parameters of the Cu(II) complex were calculated at HSEh1PBE/6-311G(d,p) level. The experimental and computed small energy gap shows the charge transfer in the Cu(II) complex. Finally, the hyperconjugative interactions and intramolecular charge transfer (ICT) were studied by performing of natural bond orbital (NBO) analysis.

  10. Cu/Cu{sub 2}O/CuO nanoparticles: Novel synthesis by exploding wire technique and extensive characterization

    Energy Technology Data Exchange (ETDEWEB)

    Sahai, Anshuman [Department of Physics and Materials Science and Engineering, Jaypee Institute of Information Technology, A-10, Sector-62, Noida 201307 (India); Goswami, Navendu, E-mail: navendugoswami@gmail.com [Department of Physics and Materials Science and Engineering, Jaypee Institute of Information Technology, A-10, Sector-62, Noida 201307 (India); Kaushik, S.D. [UGC-DAE-Consortium for Scientific Research Mumbai Centre, R5 Shed, BARC, Mumbai 400085 (India); Tripathi, Shilpa [UGC-DAE Consortium for Scientific Research, Indore, M.P. (India)

    2016-12-30

    Highlights: The salient features of this research article are following: • Mixed phase synthesis of Cu/Cu{sub 2}O/CuO nanoparticles prepared by Exploding Wire Technique (EWT). • Predominant Cu/Cu{sub 2}O phases along with minor CuO phase revealed through XRD, TEM, Raman, FTIR, UV–Visible and PL analyses. • XPS analysis provided direct evidences of Cu{sup 2+} and Cu{sup +} along with O deficiency for prepared nanoparticles. • Room temperature weak ferromagnetic behaviour was demonstrated for Cu/Cu{sub 2}O/CuO nanoparticles. - Abstract: In this article, we explore potential of Exploding Wire Technique (EWT) to synthesize the copper nanoparticles using the copper metal in a plate and wire geometry. Rietveld refinement of X-ray diffraction (XRD) pattern of prepared material indicates presence of mixed phases of copper (Cu) and copper oxide (Cu{sub 2}O). Agglomerates of copper and copper oxide comprised of ∼20 nm average size nanoparticles observed through high resolution transmission electron microscope (HRTEM) and energy dispersive x-ray (EDX) spectroscopy. Micro-Raman (μR) and Fourier transform infrared (FTIR) spectroscopies of prepared nanoparticles reveal existence of additional minority CuO phase, not determined earlier through XRD and TEM analysis. μR investigations vividly reveal cubic Cu{sub 2}O and monoclinic CuO phases based on the difference of space group symmetries. In good agreement with μRaman analysis, FTIR stretching modes corresponding to Cu{sub 2}-O and Cu-O were also distinguished. Investigations of μR and FTIR vibrational modes are in accordance and affirm concurrence of CuO phases besides predominant Cu and Cu{sub 2}O phase. Quantum confinement effects along with increase of band gaps for direct and indirect optical transitions of Cu/Cu{sub 2}O/CuO nanoparticles are reflected through UV–vis (UV–vis) spectroscopy. Photoluminescence (PL) spectroscopy spots the electronic levels of each phase and optical transitions processes

  11. Cu/Cu2O/CuO nanoparticles: Novel synthesis by exploding wire technique and extensive characterization

    International Nuclear Information System (INIS)

    Sahai, Anshuman; Goswami, Navendu; Kaushik, S.D.; Tripathi, Shilpa

    2016-01-01

    Highlights: The salient features of this research article are following: • Mixed phase synthesis of Cu/Cu 2 O/CuO nanoparticles prepared by Exploding Wire Technique (EWT). • Predominant Cu/Cu 2 O phases along with minor CuO phase revealed through XRD, TEM, Raman, FTIR, UV–Visible and PL analyses. • XPS analysis provided direct evidences of Cu 2+ and Cu + along with O deficiency for prepared nanoparticles. • Room temperature weak ferromagnetic behaviour was demonstrated for Cu/Cu 2 O/CuO nanoparticles. - Abstract: In this article, we explore potential of Exploding Wire Technique (EWT) to synthesize the copper nanoparticles using the copper metal in a plate and wire geometry. Rietveld refinement of X-ray diffraction (XRD) pattern of prepared material indicates presence of mixed phases of copper (Cu) and copper oxide (Cu 2 O). Agglomerates of copper and copper oxide comprised of ∼20 nm average size nanoparticles observed through high resolution transmission electron microscope (HRTEM) and energy dispersive x-ray (EDX) spectroscopy. Micro-Raman (μR) and Fourier transform infrared (FTIR) spectroscopies of prepared nanoparticles reveal existence of additional minority CuO phase, not determined earlier through XRD and TEM analysis. μR investigations vividly reveal cubic Cu 2 O and monoclinic CuO phases based on the difference of space group symmetries. In good agreement with μRaman analysis, FTIR stretching modes corresponding to Cu 2 -O and Cu-O were also distinguished. Investigations of μR and FTIR vibrational modes are in accordance and affirm concurrence of CuO phases besides predominant Cu and Cu 2 O phase. Quantum confinement effects along with increase of band gaps for direct and indirect optical transitions of Cu/Cu 2 O/CuO nanoparticles are reflected through UV–vis (UV–vis) spectroscopy. Photoluminescence (PL) spectroscopy spots the electronic levels of each phase and optical transitions processes occurring therein. Iterative X

  12. Spectroscopic study of Cu2+ and Cu+ ions in high-transmission glass. Electronic structure and Cu2+/Cu+ concentrations

    International Nuclear Information System (INIS)

    Gomez, Susana; Rodriguez, Fernando; Urra, Inigo; Valiente, Rafael

    2010-01-01

    This work investigates the formation of photoluminescence centres in high-transmission glass (HTG) doped with Cu 2 O and their capability to transform the solar spectrum by absorption/emission via Stokes-shifted PL into a more efficient spectrum for photovoltaic applications. Among the centres formed in HTG, both green photoluminescent Cu + and the non-photoluminescent Cu 2+ centres are created but their relative concentration depends on the thermal treatment and the presence of other co-dopants. The measurement of the absorption coefficient α(λ) nearby the HTG optical gap for Cu + bands is accomplished by following the two-thickness method. This procedure allows us to obtain the actual absorption coefficient for the spectrum of each formed centre, from which we obtain the relative concentration of Cu + /Cu 2+ as well as their absolute values. The analysis of the spectra provides information on the absorption cross sections, transition energies and bandwidths, the knowledge of which is essential to check the suitability of such centres for photovoltaic applications in solar cells.

  13. Ultra-clean Fischer-Tropsch (F-T) Fuels Production and Demonstration Project

    Energy Technology Data Exchange (ETDEWEB)

    Stephen P. Bergin

    2006-06-30

    The objective of the DOE-NETL Fischer-Tropsch (F-T) Production and Demonstration Program was to produce and evaluate F-T fuel derived from domestic natural gas. The project had two primary phases: (1) fuel production of ultra-clean diesel transportation fuels from domestic fossil resources; and (2) demonstration and performance testing of these fuels in engines. The project also included a well-to-wheels economic analysis and a feasibility study of small-footprint F-T plants (SFPs) for remote locations such as rural Alaska. During the fuel production phase, ICRC partnered and cost-shared with Syntroleum Corporation to complete the mechanical design, construction, and operation of a modular SFP that converts natural gas, via F-T and hydro-processing reactions, into hydrogensaturated diesel fuel. Construction of the Tulsa, Oklahoma plant started in August 2002 and culminated in the production of over 100,000 gallons of F-T diesel fuel (S-2) through 2004, specifically for this project. That fuel formed the basis of extensive demonstrations and evaluations that followed. The ultra-clean F-T fuels produced had virtually no sulfur (less than 1 ppm) and were of the highest quality in terms of ignition quality, saturation content, backend volatility, etc. Lubricity concerns were investigated to verify that commercially available lubricity additive treatment would be adequate to protect fuel injection system components. In the fuel demonstration and testing phase, two separate bus fleets were utilized. The Washington DC Metropolitan Area Transit Authority (WMATA) and Denali National Park bus fleets were used because they represented nearly opposite ends of several spectra, including: climate, topography, engine load factor, mean distance between stops, and composition of normally used conventional diesel fuel. Fuel evaluations in addition to bus fleet demonstrations included: bus fleet emission measurements; F-T fuel cold weather performance; controlled engine dynamometer

  14. Synthesis of CNTs/CuO and its catalytic performance on the thermal decomposition of ammonium perchlorate

    Directory of Open Access Journals (Sweden)

    Ping Cui

    2016-05-01

    Full Text Available Copper oxide (CuO nanoparticles were successfully deposited on carbon nanotubes’ (CNTs surface via complex-precipitation method, the nanocomposite was characterized by transmission electron microscopy (TEM, scanning electron microscopy (SEM, X-ray photoelectron spectroscopy (XPS, X-ray powder diffraction (XRD, Raman spectroscopy, Fourier transform infrared (FT-IR and Brunauer–Emmett–Teller (BET. The catalytic performance of CNTs/CuO on ammonium perchlorate (AP decomposition was analyzed by differential thermal analyzer (DTA, the DTA results showed its excellent catalytic effect on AP decomposition, as 8 wt.% CNTs/CuO was added in AP, the second exothermic peak temperature decreased by 158 °C. Such composite may be a promising candidate for catalyzing the AP thermal decomposition.

  15. The preoperative serum ratio of total prostate specific antigen (PSA) to free testosterone (FT), PSA/FT index ratio, and prostate cancer. Results in 220 patients undergoing radical prostatectomy.

    Science.gov (United States)

    Porcaro, Antonio B; Caruso, Beatrice; Terrin, Alessandro; De Luyk, Nicolò; Cacciamani, Giovanni; Corsi, Paolo; Inverardi, Davide; De Marchi, Davide; Baldassarre, Roberto; Cerruto, Mariangela; Ghimenton, Claudio; Brunelli, Matteo; Zecchini Antoniolli, Stefano; Petrozziello, Aldo; Artibani, Walter

    2016-03-31

    To evaluate associations of preoperative total prostate specific antigen (PSA) to free testosterone (FT), the PSA/FT index ratio, with features of pathology prostate cancer (PCA) and to investigate its prognostic potential in clustering the PCA population. After excluding criteria, the records of 220 patients who underwent radical prostatectomy (RP) were retrospectively reviewed. Serum samples of PSA, total testosterone (TT) and FT were collected at 8.00 A.M., one month after biopsies and before RP. The PSA/FT ratio was computed in the population of patients who were clustered in groups according to ranking intervals of the PSA/FT ratio which identified at least 4 clusters which were coded as A, B, C, and D. The independent associations of the PSA/FT index ratio were assessed by statistical methods and a two-sided P < 0.05 was considered to indicate statistical significance. TT correlated to FT which was a significant predictor of PSA in the population of patients who were subsequently clustered, according to increasing interval values of the PSA/FT index ratio, in groups that showed a stronger linear association of FT with PSA. The PSA/FT index ratio significantly associated with pathology features of prostate cancer such as pathology Gleason score (pGS), invasion of the seminal vesicles (pT3b), proportion of positive cores (P+) and proportion of cancer involving the volume of the prostate. In the population of patients, TT, PSA/FT index ratio and P+ independently associated with pGS ≥ 7 and pT3b; moreover, the odds ratio (OR) of the PSA/FT index ratio resulted 9.11 which was stronger than TT (OR = 1.11) and P+ (OR = 8.84). In the PCA population, TT, PSA/FT index ratio and P+ also independently associated with pT3b PCA; interestingly, the OR of PSA/FT index resulted 54.91 which was stronger than TT (OR = 1.31) and P+ (26.43). Preoperative PSA/FT index ratio is an independent strong factor which directly associates with aggressive features of pathology PCA

  16. CeO2-CuO/Cu2O/Cu monolithic catalysts with three-kind morphologies Cu2O layers for preferential CO oxidation

    Science.gov (United States)

    Jing, Guojuan; Zhang, Xuejiao; Zhang, Aiai; Li, Meng; Zeng, Shanghong; Xu, Changjin; Su, Haiquan

    2018-03-01

    The supports of copper slices with three-kind morphologies Cu2O layers were prepared by the hydrothermal method. The Cu2O layers are rod-like structure, three-dimensional reticular and porous morphology as well as flower-like morphology, respectively. The CeO2-CuO/Cu2O/Cu monolithic catalysts present porous and network structure or foam morphology after loading CeO2 and CuO. Cu and Ce elements are uniformly dispersed onto the support surface. It is found that the monolithic catalyst with flower-like Cu2O layer displays better low-temperature activity because of highly-dispersed CuO and high Olatt concentration. The monolithic catalysts with rod-like or reticular-morphology Cu2O layers present high-temperature activity due to larger CuO crystallite sizes and good synergistic effect at copper-ceria interfacial sites. The as-prepared CeO2-CuO/Cu2O/Cu monolithic catalysts show good performance in the CO-PROX reaction. The generation of Cu2O layers with three-kind morphologies is beneficial to the loading and dispersion of copper oxides and ceria.

  17. Characterization of Organosolv Lignins using Thermal and FT-IR Spectroscopic Analysis

    Science.gov (United States)

    Rhea J. Sammons; David P. Harper; Nicole Labbe; Joseph J. Bozell; Thomas Elder; Timothy G. Rials

    2013-01-01

    A group of biomass-derived lignins isolated using organosolv fractionation was characterized by FT-IR spectral and thermal property analysis coupled with multivariate analysis. The principal component analysis indicated that there were significant variations between the hardwood, softwood, and grass lignins due to the differences in syringyl and guaiacyl units as well...

  18. FT-IR spectroscopic studies of tin-modified rhenium alumina-silica metathesis catalyst

    International Nuclear Information System (INIS)

    Zawadzki, J.; Skupinski, W.; Kirszensztejn, P.; Wachowski, L.; Jamroz, M.H.; Dobrowolski, J.Cz.

    2000-01-01

    FT-IR spectra of the products obtained in each step of the tetramethyltin (TMT)/3-wt.% Re 2 O 7 /Al 2 O 3 -SiO 2 and TMT/Al 2 O 3 -SiO 2 system preparation are presented and discussed. The obtained spectra show that TMT reacts with alumina-silica hydroxyl groups already at room temperature, yielding surface methyltin compounds; NH 4 ReO 4 reacts with alumina-silica surface at temperatures up to 423 K, yielding rhenium surface species and ammonia, which is strongly bonded by acidic sites of the Broensted kind. FT-IR spectrum of the system (TMT)/3-wt.% Re 2 O 7 /Al 2 O 3 -SiO 2 indicated the absence of surface methyl tin compounds observed on the surface system TMT/Al 2 O 3 -SiO 2 , and the presence of physically adsorbed TMT; after 5 h of evacuation of the TMT/3-wt.% Re 2 O 7 /Al 2 O 3 -SiO 2 system, the FT-IR spectrum indicated the presence of only a single band at 2977 cm -1 , which may be assigned to the C-H bond stretching of the methyl group in the surface bridged (O,O')Re(=O) 2 CH 3 complexes formed. Analysis of FT-IR results suggests formation of a new phase containing rhenium and aluminium ions, on which olefin sites active in olefin metathesis are formed in the system studied. (author)

  19. Utility Assessment Report for SPIDERS Phase 2: Ft. Carson (Rev 1.0)

    Energy Technology Data Exchange (ETDEWEB)

    Barr, Jonathan L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tuffner, Francis K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hadley, Mark D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Schneider, Kevin P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-01-01

    This document contains the Utility Assessment Report (UAR) for the Phase 2 operational Demonstration (OD) of the Smart Power Infrastructure Demonstration for Energy Reliability and Security (SPIDERS) Joint Capability Technology Demonstration (JCTD). The UAR for Phase 2 shows that the SPIDERS system was able to meet the requirements of the Implementation Directive at Ft. Carson.

  20. Non-trivial frames for f(T) theories of gravity and beyond

    International Nuclear Information System (INIS)

    Ferraro, Rafael; Fiorini, Franco

    2011-01-01

    Some conceptual issues concerning f(T) theories - a family of modified gravity theories based on absolute parallelism - are analyzed. Due to the lack of local Lorentz invariance, the autoparallel frames satisfying the field equations are evasive to an a priori physical understanding. We exemplify this point by working out the vierbein (tetrad) fields for closed and open Friedmann-Robertson-Walker cosmologies.

  1. 1064nm FT-Raman spectroscopy for investigations of plant cell walls and other biomass materials

    Science.gov (United States)

    Umesh P. Agarwal

    2014-01-01

    Raman spectroscopy with its various special techniques and methods has been applied to study plant biomass for about 30 years. Such investigations have been performed at both macro- and micro-levels. However, with the availability of the Near Infrared (NIR) (1064 nm) Fourier Transform (FT)-Raman instruments where, in most materials, successful fluorescence suppression...

  2. Perfect fluid and F(T) gravity descriptions of inflationary universe and comparison with observational data

    Science.gov (United States)

    Ganiou, M. G.; Houndjo, M. J. S.; Salako, Ines G.; Rodrigues, M. E.; Tossa, J.

    2016-07-01

    We describe in this paper the observables of inflationary models, in particular the spectrum index of torsion scalar perturbations, the tensor-to-scalar ratio, and the running of the spectral index, in the framework of perfect fluid models and F(T) gravity theories through the reconstruction methods. Then, our results on the perfect fluid and F(T) gravity theories of inflation are compared with recent cosmological observations such as the Planck satellite and BICEP2 experiment. Our studies prove that the perfect fluid and F(T) gravity models can reproduce the inflationary Universe consistent above all with the Planck data. We have reconstructed several models and considered others which give the best fit values compatible with the spectral index of curvature perturbations, the tensor-to-scalar ratio, and the running of the spectral index within the allowed ranges suggested by the Planck and BICEP2 results. By taking the trace-anomaly into consideration, we have shown that the reconstructed models F(T) can not describe a finite de Sitter inflation without an additional constant n that we related to cosmological constant.

  3. Evaluation of Fungal Deterioration in Liquidambar orientalis Mill. heartwood by FT-IR and light microscopy.

    Science.gov (United States)

    Nural Yilgor; Dilek Dogu; Roderquita Moore; Evren Terzi; S. Nami Kartal

    2013-01-01

    The chemical and morphological changes in heartwood specimens of Liquidambar orientalis Mill. caused by the white-rot fungus Trametes versicolor and the brown-rot fungi Tyromyces palustris and Gloeophyllum trabeum were studied by wet chemistry, FT-IR, GC-MS analyses, and photo-...

  4. IDENTIFICATION OF BIS(2-CHLOROETHYL) ETHER HYDROLYSIS PRODUCTS BY DIRECT AQUEOUS INJECTION GC/FT-IR

    Science.gov (United States)

    Gas chromatography coupled to Fourier-transform infrared spectroscopy (GC/FT-IR) is rapidly becoming an accepted analytical technique complementary to GC/mass spectroscopy for identifying organic compounds in mixtures at low to moderate concentrations. irect aqueous injection (DA...

  5. Antioxidant activity and FT-IR analysis of Datura innoxia and Datura ...

    African Journals Online (AJOL)

    Materials and Methods: Determination of total phenolic content and total flavonoid content and antioxidant activity in terms of total antioxidant assay, ABTS assay, DPPH assay and in-vitro lipid peroxidation inhibiting activity were determined along with the FT-IR (Fourier transform infrared spectroscopy) analysis of the ...

  6. FT-IR and Raman vibrational microspectroscopies used for spectral biodiagnosis of human tissues

    OpenAIRE

    Lin, Shan-Yang; Li, Mei-Jane; Cheng, Wen-Ting

    2007-01-01

    Fourier transform infrared (FT-IR) and Raman vibrational microspectroscopies used for biomedical diagnosis of human tissues are reviewed from basic principle to biological applications. The advantages and disadvantages of both vibrational microspectroscopies are compared to highlight their efficiency and adaptability for noninvasively investigating the chemical compositions of ultrastructual human tissues at different disease states. Biochemical fingerprints applied to the biological samples ...

  7. High Speed Countercurrent Chromatography/Fourier Transform Infrared (HSCCC/FT-IR) Spectrometry

    Science.gov (United States)

    Romanach, Rodolfo J.; de Haseth, James A.

    1985-12-01

    High Speed Countercurrent Chromatography/Fourier transform infrared (HSCCC/FT-IR) spectrometry is present-ed. High solute-to-solvent ratios can be obtained in separations performed using HSCCC. At these high solute concentrations it is possible to obtain spectra of solutes without solvent elimination, even in the presence of polar solvents, such as water and methanol.

  8. Determination of ethylenic residues in wood and TMP of spruce by FT-Raman spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Sally A. Ralph

    2008-01-01

    A method based on FT-Raman spectroscopy is proposed for determining in situ concentrations of ethylenic residues in softwood lignin. Raman contributions at 1133 and 1654 cm-1, representing coniferaldehyde and coniferyl alcohol structures, respectively, were used in quantifying these units in spruce wood with subsequent conversion to concentrations in lignin. For...

  9. Advanced sampling techniques for hand-held FT-IR instrumentation

    Science.gov (United States)

    Arnó, Josep; Frunzi, Michael; Weber, Chris; Levy, Dustin

    2013-05-01

    FT-IR spectroscopy is the technology of choice to identify solid and liquid phase unknown samples. The challenging ConOps in emergency response and military field applications require a significant redesign of the stationary FT-IR bench-top instruments typically used in laboratories. Specifically, field portable units require high levels of resistance against mechanical shock and chemical attack, ease of use in restrictive gear, extreme reliability, quick and easy interpretation of results, and reduced size. In the last 20 years, FT-IR instruments have been re-engineered to fit in small suitcases for field portable use and recently further miniaturized for handheld operation. This article introduces the HazMatID™ Elite, a FT-IR instrument designed to balance the portability advantages of a handheld device with the performance challenges associated with miniaturization. In this paper, special focus will be given to the HazMatID Elite's sampling interfaces optimized to collect and interrogate different types of samples: accumulated material using the on-board ATR press, dispersed powders using the ClearSampler™ tool, and the touch-to-sample sensor for direct liquid sampling. The application of the novel sample swipe accessory (ClearSampler) to collect material from surfaces will be discussed in some detail. The accessory was tested and evaluated for the detection of explosive residues before and after detonation. Experimental results derived from these investigations will be described in an effort to outline the advantages of this technology over existing sampling methods.

  10. Light-Induced Two-Dimensional FT-IR Spectroscopy of BacterioRhodopsin

    NARCIS (Netherlands)

    Kosters, P.G.H.; de Vries, A.H.B.; Kooyman, R.P.H.

    2000-01-01

    Two-dimensional Fourier transform infrared (2D FT-IR) spectroscopy was applied to study the slower states of the membrane protein bacterioRhodopsin (bR) photocycle, with bR adsorbed on a ZnSe attenuated total reflectance (ATR) crystal. The M and the N states of the bR photocycle could be

  11. Quantitative analysis of bucillamine and its pharmaceutical formulation using FT-IR spectroscopy.

    Science.gov (United States)

    Bunaciu, Andrei A; Aboul-Enein, Hassan Y; Fleschin, Serban

    2005-08-01

    A Fourier transform infrared (FT-IR) spectrometric method was developed for the rapid, direct measurement of bucillamine. Conventional KBr-spectra and DRIFTS spectra were compared for best determination of active substance in its tablet formulation. Two chemometric approaches, partial least squares (PLS) and principal component regression (PCR+) methods were used in data processing. Similar results were obtained with both chemometric methods.

  12. Solid phase extraction of trace amounts of Ag, Cd, Cu, and Zn in environmental samples using magnetic nanoparticles coated by 3-(trimethoxysilyl)-1-propantiol and modified with 2-amino-5-mercapto-1,3,4-thiadiazole and their determination by ICP-OES

    International Nuclear Information System (INIS)

    Mashhadizadeh, Mohammad Hossein; Karami, Zahra

    2011-01-01

    Highlights: → The enrichment factors in this method are better than the other reported methods. → The proposed method showed a very good sensitivity and high enrichment factor. → This adsorbent was prepared easily, utilized conveniently and harmless to environment. → This method is suitable for preconcentration of heavy metals in environmental samples. - Abstract: A fast, sensitive, and simple method using magnetic nanoparticles (MNPs) coated by 3-(trimethoxysilyl)-1-propantiol and modified with 2-amino-5-mercapto-1,3,4-thiadiazole, as an adsorbent has been successfully developed for extraction, preconcentration, and determination of trace amounts of Ag, Cd, Cu, and Zn from environmental samples. The prepared nanoparticles were characterized by Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). These magnetic nanoparticles can be easily dispersed in aqueous samples and retrieved by the application of external magnetic field via a piece of permanent magnet. The main factors affecting the extraction efficiency such as pH value, sample volume, eluent concentration and volume, ultrasonication time, and coexisting ions have been investigated and established. Under the optimal conditions, high concentration factors (194, 190, 170, and 182) were achieved for Ag, Cd, Cu, and Zn with relative standard deviations of 5.31%, 4.03%, 3.62%, and 4.20%, respectively. The limits of detection for Ag, Cd, Cu, and Zn were as low as 0.12, 0.12, 0.13 and 0.11 ng mL -1 . The prepared sorbent was applied for preconcentration of trace amounts of Ag, Cd, Cu, and Zn in the various water samples with satisfactory results.

  13. Post Modification of Acetylene Functional Poly(oxindole biphenylylene) by Photoinduced CuAAC

    KAUST Repository

    Arslan, Mustafa

    2018-02-08

    A novel strategy to obtain side chain modified poly(oxindole biphenylylene) (POXI) by photoinduced copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click reaction is described. In the first step, an alkyne-functionalized poly(oxindolebiphenylylene) (POXI-alkyne) is synthesized by superacid-catalyzed condensation of isatin with aromatic hydrocarbons. Subsequently, poly(ethylene glycol) methyl ether (Me-PEG), 1-pyrenemethanol (Py-OH) and 1,3-dibromopropane (DBP) are functionalized by azide groups via simple nucleophilic substitution reaction. Visible-light-induced CuAAC reaction between POXI-alkyne and the corresponding azide functionalized click components employing dibenzoyldiethylgermane (DBDEG) as photoactivator resulted in the formation of POXI-PEG, POXI-Py and insoluble network, respectively. Successful modification of POXI was confirmed by the spectral, (1H NMR, FT-IR, Fluorescence), chromatographic (GPC) and thermal (DSC) investigations.

  14. TG/DTG, FT-ICR Mass Spectrometry, and NMR Spectroscopy Study of Heavy Fuel Oil

    KAUST Repository

    Elbaz, Ayman M.

    2015-11-12

    There is an increasing interest in the comprehensive study of heavy fuel oil (HFO) due to its growing use in furnaces, boilers, marines, and recently in gas turbines. In this work, the thermal combustion characteristics and chemical composition of HFO were investigated using a range of techniques. Thermogravimetric analysis (TGA) was conducted to study the nonisothermal HFO combustion behavior. Chemical characterization of HFO was accomplished using various standard methods in addition to direct infusion atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry (APCI-FTICR MS), high resolution 1H nuclear magnetic resonance (NMR), 13C NMR, and two-dimensional heteronuclear multiple bond correlation (HMBC) spectroscopy. By analyzing thermogravimetry and differential thermogravimetry (TG/DTG) results, three different reaction regions were identified in the combustion of HFO with air, specifically, low temperature oxidation region (LTO), fuel deposition (FD), and high temperature oxidation (HTO) region. At the high end of the LTO region, a mass transfer resistance (skin effect) was evident. Kinetic analysis in LTO and HTO regions was conducted using two different kinetic models to calculate the apparent activation energy. In both models, HTO activation energies are higher than those for LTO. The FT-ICR MS technique resolved thousands of aromatic and sulfur containing compounds in the HFO sample and provided compositional details for individual molecules of three major class species. The major classes of compounds included species with one sulfur atom (S1), with two sulfur atoms (S2), and purely hydrocarbons (HC). The DBE (double bond equivalent) abundance plots established for S1 and HC provided additional information on their distributions in the HFO sample. The 1H NMR and 13C NMR results revealed that nearly 59% of the 1H nuclei were distributed as paraffinic CH2 and 5% were in aromatic groups. Nearly 21% of 13C nuclei were

  15. FT values measured to ±0.1% for superallowed beta transitions: Metrology at sub-second time scales

    International Nuclear Information System (INIS)

    Hardy, J.C.; Iacob, V.E.; Park, H.I.; Chen, L.; Nica, N.; Horvat, V.; Tribble, R.E.; Towner, I.S.

    2014-01-01

    Because of angular-momentum conservation, superallowed β decay between 0 + analog states involves only the vector part of the weak interaction, so its measured ft value can be used to determine the vector coupling constant, G V . If many such transitions are measured, then the constancy of G V can be established and several important tests made on fundamentals of the electroweak Standard Model. We have developed apparatus that allows us to measure half-lives to ±0.03% and branching ratios to ±0.1% or better, for cyclotron-produced activities with half-lives as short as 100 ms. We present an overview of the equipment and a summary of more than 10 years of results. - Highlights: • Established metrology facility for accelerator-produced short-lived activities. • Measured half-lives and beta branching ratios to high precision. • Precision is 0.03% for half-lives and ∼0.1% for branching ratios. • Results have important impact on electroweak Standard Model

  16. Determination of the HMX and RDX content in synthesized energetic material by HPLC, FT-MIR, and FT-NIR spectroscopies

    Directory of Open Access Journals (Sweden)

    Elizabeth C. Mattos

    2004-08-01

    Full Text Available A new method has been developed for determining the content of mixtures of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX, the HMX/RDX ratio, in explosive compositions by Fourier transform infrared spectroscopy (FT-IR, in the regions MIR (mid infrared and NIR (near infrared with reference values obtained by chromatographic analysis (HPLC. Plots of relative MIR (A917 / A783 or NIR absorbance values (A4412 / A4317 versus HMX/RDX ratio determined by HPLC analysis revealed good linear relationships.

  17. Synthesis, spectroscopic analysis and electrochemical performance of modified β-nickel hydroxide electrode with CuO

    Directory of Open Access Journals (Sweden)

    B. Shruthi

    2017-03-01

    Full Text Available In the present work, a modified β-nickel hydroxide (β-Ni(OH2 electrode material with CuO has been prepared using a co-precipitation method. The structure and property of the modified β-Ni(OH2 with CuO were characterized by X-ray diffraction (XRD, Fourier Transform infra-red (FT-IR, Raman and thermal gravimetric-differential thermal analysis (TG-DTA techniques. The results of the FT-IR spectroscopy and TG-DTA indicate that the modified β-Ni(OH2 electrode materials contain intercalated water molecules and anions. A pasted–type electrode was prepared using nickel hydroxide powder as the main active material on a nickel sheet as a current collector. Cyclic voltammetry (CV and Electrochemical impedance spectroscopy (EIS studies were undertaken to assess the electrochemical behavior of pure β-Ni(OH2 and modified β-Ni(OH2 electrode with CuO in a 6 M KOH electrolyte. The addition of CuO into β-nickel hydroxide was found to enhance the reversibility of the electrode reaction and also increase the separation of the oxidation current peak of the active material from the oxygen evolution current. The modified nickel hydroxide with CuO was also found to exhibit a higher proton diffusion coefficient and a lower charge transfer resistance. These findings suggest that the modified β-Ni(OH2 with CuO possesses an enhanced electrochemical response and thus can be recognized as a promising candidate for battery electrode applications.

  18. Response of wastewater biofilm to CuO nanoparticle exposure in terms of extracellular polymeric substances and microbial community structure.

    Science.gov (United States)

    Miao, Lingzhan; Wang, Chao; Hou, Jun; Wang, Peifang; Ao, Yanhui; Li, Yi; Yao, Yu; Lv, Bowen; Yang, Yangyang; You, Guoxiang; Xu, Yi; Gu, Qihao

    2017-02-01

    The growing production and application of CuO nanoparticles increase the chance that these particles will be released into wastewater treatment plants (WWTPs) and interact with microorganisms. However, the toxicity response mechanism of biofilm to NP exposure may be different from that of activated sludge due to the denser and stronger microbial aggregate structure of biofilm. Thus, in this study, the response to CuO NPs of wastewater biofilm collected from a rotating biological contactor was investigated. Short-term exposure (24h) to CuO NPs led to a great loss in cell viability, and SEM-EDS images revealed that the nano-CuO aggregates were not transformed to Cu-S species in the biofilm samples. In response, more extracellular polymeric substance (EPS) (especially loosely bound-EPS) was produced in wastewater biofilm exposed to CuO NPs, with a higher content of protein compared to polysaccharides. The shifts of fluorescence intensity and peak locations in 3D-EEM fluorescence spectra indicated chemical changes of the EPS components. FT-IR analysis revealed that exposure to nano-CuO had more distinct effects on the functional groups of proteins and polysaccharides in LB-EPS. Illumina sequencing of 16S rRNA gene amplicons revealed that CuO NPs enhanced bacterial diversity. The bacterial community structure significantly shifted, with a significantly increased abundance of Comamonas, a slight increase in Zoogloea, and a notable decrease in Flavobacterium. The shifts of these dominant genera may be associated with altered EPS production, which might result in microbial community function fluctuations. In conclusion, exposure to high concentrations of CuO NPs has the potential to shape wastewater biofilm bacterial community structure. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Spatial distribution of Cd and Cu in soils in Shenyang Zhangshi Irrigation Area (SZIA), China*

    Science.gov (United States)

    Sun, Li-na; Yang, Xiao-bo; Wang, Wen-qing; Ma, Li; Chen, Su

    2008-01-01

    Heavy metal contamination of soils, derived from sewage irrigation, mining and inappropriate utilization of various agrochemicals and pesticides, and so on, has been of wide concern in the last several decades. The Shenyang Zhangshi Irrigation Area (SZIA) in China is a representative area of heavy metal contamination of soils resulting from sewage irrigation for about 30 years. This study investigated the spatial distribution and temporal variation of soil cadmium (Cd) and copper (Cu) contamination in the SZIA. The soil samples were collected from the SZIA in 1990 and 2004; Cd and Cu in soils was analyzed and then the spatial distribution and temporal variation of Cd and Cu in soils were modeled using Kriging methods. The results show that long-term sewage irrigation had caused serious Cd and Cu contamination in soils. The mean and the maximum of soil Cd are markedly higher than the levels in second grade standard soil (LSGSS) in China, and the maximum of soil Cu is close to the LSGSS in China in 2004 and is more than the LSGSS in China in 1990. The contamination magnitude of soil Cd and the soil extent of Cd contamination had evidently increased since sewage irrigation ceased in 1992. The contamination magnitude of soil Cu and the soil extent of Cu contamination had evidently increased in topsoil, but obviously decresed in subsoil. The soil contamination of Cd and Cu was mainly related to Cd and Cu reactivation of contaminated sediments in Shenyang Xi River and the import of Cd and Cu during irrigation. The eluviation of Cd and Cu in contaminated topsoil with rainfall and irrigation water was another factor of temporal-spatial variability of Cd and Cu contamination in soils. PMID:18357631

  20. Synthesis, characterization and antifungal efficacy of C-coordinated O-carboxymethyl chitosan Cu(II) complexes.

    Science.gov (United States)

    Liu, Weixiang; Qin, Yukun; Liu, Song; Xing, Ronge; Yu, Huahua; Chen, Xiaolin; Li, Kecheng; Li, Pengcheng

    2017-03-15

    A novel type of O-carboxymethyl chitosan Schiff bases (O-CSPX) was synthesized via a condensation reaction. After the coordination reaction of cupric ions, Cu(II) complexes (O-CSPX-Cu) were achieved. The theoretical structure of O-CSPX-Cu calculated by Gaussian 09 reveals that the copper ions underwent dsp 2 hybridization, coordinated by the carbon atom in the p-π conjugate group and the oxygen atoms in the acetate ion. Then, the structures were confirmed by FT-IR, 1 H NMR, CP-MAS 13 C NMR, elemental analysis, DSC and XRD. The antifungal properties of O-CSPX-Cu against Phytophthora capsici (P. capsici), Gibberella zeae (G. zeae) and Glomerella cingulata (G. cingulata) were evaluated at concentrations ranging from 0.05mg/mL to 0.20mg/mL. The experiments indicated that the derivatives have significantly enhanced antifungal activity after copper ion complexation compared with the original chitosan. Moreover, it was shown that 0.20mg/mL of O-CSP3-Cu and O-CSP4-Cu can 100% inhibit the growth of P. capsici. The experimental results reveal that the antifungal efficiency is related to the space steric hindrance on the benzene ring, which may provide a novel direction for the development of copper fungicides. Copyright © 2016 Elsevier Ltd. All rights reserved.

  1. Properties and characterization of agar/CuNP bionanocomposite films prepared with different copper salts and reducing agents.

    Science.gov (United States)

    Shankar, Shiv; Teng, Xinnan; Rhim, Jong-Whan

    2014-12-19

    Various types of agar-based bio-nanocomposite (BNC) films were prepared by blending agar and six different copper nanoparticles (CuNPs) with different shapes and sizes obtained from three different sources of copper salts and two different reducing agents. The BNC films were characterized by UV-visible, FE-SEM, FT-IR, and XRD. The thermogravimetric study showed that the melting point of BNC films was increased when ascorbic acid was used as a reducing agent for CuNPs synthesis. Apparent surface color and transmittance of agar film was greatly influenced by the reinforcement of CuNPs. However, mechanical and water vapor barrier properties did not change significantly (p>0.05) by blending with CuNPs. Tensile modulus and tensile strength decreased slightly for all types of CuNPs reinforced while elongation at break slightly increased when CuNPs produced by ascorbic acid were blended. The agar bio-nanocomposite films showed profound antibacterial activity against both Gram-positive and Gram-negative food-borne pathogenic bacteria. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. ['Gold standard', not 'golden standard'

    NARCIS (Netherlands)

    Claassen, J.A.H.R.

    2005-01-01

    In medical literature, both 'gold standard' and 'golden standard' are employed to describe a reference test used for comparison with a novel method. The term 'gold standard' in its current sense in medical research was coined by Rudd in 1979, in reference to the monetary gold standard. In the same

  3. Structural, optical and morphological characterization of Cu-doped α-Fe2O3 nanoparticles synthesized through co-precipitation technique

    Science.gov (United States)

    Lassoued, Abdelmajid; Lassoued, Mohamed Saber; Dkhil, Brahim; Gadri, Abdellatif; Ammar, Salah

    2017-11-01

    Pure and copper (Cu concentration varying from 2 to 8%) doped hematite (α-Fe2O3) nanocrystals were synthesized through co-precipitation method using simple equipment. X-ray Diffraction (XRD), Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Fourier Transform Infra-Red (FT-IR), Raman spectroscopy, Differential Thermal Analysis (DTA), Thermo Gravimetric Analysis (TGA) and Ultraviolet-Visible (UV-Vis) techniques were used to characterize the synthesized samples. XRD measurements confirm that all the prepared nanocrystals consist only in nanocrystalline hematite phase. These results along with TEM and SEM show that the size of the nanoparticles decreases with Cu-doping down to 21 nm. FT-IR confirm the phase purity of the nanoparticles synthesized. The Raman spectroscopy was used not only to prove that we synthesized pure and Cu-doped hematite but also to identify their phonon modes. The TGA showed three mass losses, whereas DTA resulted in three endothermic peaks. The UV-Vis absorption measurements confirm that the decrease of particle size is accompanied by a decrease in the band gap value from 2.12 eV for pure α-Fe2O3 down to 1.91 eV for 8% Cu-doped α-Fe2O3. 8% Cu-doped hematite had the smallest size, the best crystallinity and the lowest band gap.

  4. Salinity-Based Toxicity of CuO Nanoparticles, CuO-Bulk and Cu Ion toVibrio anguillarum.

    Science.gov (United States)

    Rotini, Alice; Tornambè, Andrea; Cossi, Riccardo; Iamunno, Franco; Benvenuto, Giovanna; Berducci, Maria T; Maggi, Chiara; Thaller, Maria C; Cicero, Anna M; Manfra, Loredana; Migliore, Luciana

    2017-01-01

    Bacteria are used in ecotoxicology for their important role in marine ecosystems and their quick, reproducible responses. Here we applied a recently proposed method to assess the ecotoxicity of nanomaterials on the ubiquitous marine bacterium Vibrio anguillarum , as representative of brackish and marine ecosystems. The test allows the determination of 6-h EC 50 in a wide range of salinity, by assessing the reduction of bacteria actively replicating and forming colonies. The toxicity of copper oxide nanoparticles (CuO NPs) at different salinities (5-20-35 ‰) was evaluated. CuSO 4 5H 2 O and CuO bulk were used as reference toxicants (solubility and size control, respectively). Aggregation and stability of CuO NP in final testing dispersions were characterized; Cu 2+ dissolution and the physical interactions between Vibrio and CuO NPs were also investigated. All the chemical forms of copper showed a clear dose-response relationship, although their toxicity was different. The order of decreasing toxicity was: CuSO 4 5H 2 O > CuO NP > CuO bulk. As expected, the size of CuO NP aggregates increased with salinity and, concurrently, their toxicity decreased. Results confirmed the intrinsic toxicity of CuO NPs, showing modest Cu 2+ dissolution and no evidence of CuO NP internalization or induction of bacterial morphological alterations. This study showed the V. anguillarum bioassay as an effective tool for the risk assessment of nanomaterials in marine and brackish environments.

  5. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT.

    Science.gov (United States)

    Govindarajan, M; Karabacak, M; Udayakumar, V; Periandy, S

    2012-03-01

    In this work, the vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 100-4000 cm(-1) and 400-4000 cm(-1) respectively, for the title molecule. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on Hartree Fock (HF) and density functional theory (DFT) method and different basis sets combination. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution (PED). The scaled B3LYP/6-311++G(d,p) results show the best agreement with the experimental values over the other methods. The effects due to the substitution of halogen bond were investigated. The results of the calculations were applied to simulated spectra of the title compound, which show excellent agreement with observed spectra. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) results complements with the experimental findings. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), and thermodynamic properties were performed. The thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between heat capacity (C), entropy (S), and enthalpy changes (H) and temperatures. Copyright © 2011 Elsevier B.V. All rights reserved.

  6. Quantum chemical calculation (electronic and topologic) and experimental (FT-IR, FT-Raman and UV) analysis of isonicotinic acid N-oxide.

    Science.gov (United States)

    Karaca, Caglar; Atac, Ahmet; Karabacak, Mehmet

    2015-04-05

    In this work, the molecular conformation, vibrational and electronic analysis of isonicotinic acid N-oxide (iso-NANO) were presented in the ground state using experimental techniques (FT-IR, FT-Raman and UV) and density functional theory (DFT) employing B3LYP exchange correlation with the 6-311++G(d,p) basis set. The geometry optimization and energies associated possible two conformers (Rot-I and Rot-II) were computed. The vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. The obtained structures were analyzed with the Atoms in Molecules (AIMs) methodology. The computational results diagnose the most stable conformer of iso-NANO as the Rot-I form. Total density of state (TDOS) and partial density of state (PDOS) and also overlap population density of state (OPDOS) diagrams analysis for the most stable conformer (Rot-I) were calculated using the same method. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures were calculated. As a result, the optimized geometry and calculated spectroscopic data show a good agreement with the experimental results. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on 1-bromo-2-methylnaphthalene.

    Science.gov (United States)

    Govindarajan, M; Karabacak, M

    2013-01-15

    In this work, the vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 100-4000 cm(-1) and 400-4000 cm(-1) respectively, for 1-bromo-2-methylnaphthalene (C11H9Br) molecule. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based density functional theory (DFT) and ab initio HF methods with different basis sets combinations. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution (PED). The results of the calculations were applied to simulated vibrational spectra of the title compound, which show excellent agreement with observed spectra. The scaled B3LYP/6-311++G(d,p) results show the best agreement with the experimental values over the other methods. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. In addition, molecular electrostatic potential and nonlinear optical and thermodynamic properties of the title compound were performed. Mulliken charges and NBOs of the title molecule were also calculated and interpreted. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. Experimental and theoretical studies of (FT-IR, FT-Raman, UV-Visible and DFT) 4-(6-methoxynaphthalen-2-yl) butan-2-one.

    Science.gov (United States)

    Govindasamy, P; Gunasekaran, S

    2015-01-01

    In this work, the vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 4000-50 cm(-1) and 4000-450 cm(-1) respectively for 4-(6-methoxynaphthalen-2-yl) butan-2-one (abbreviated as 4MNBO) molecule. Theoretical calculations were performed by density functional theory (DFT/B3LYP) method using 6-311G(d,p) and 6-311++G(d,p) basis sets. The difference between the observed and calculated wavenumber value of most of the fundamentals were very small. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution (PED). The UV-Vis spectrum was recorded in the methanol solution. The energy, wavelength and oscillator's strength were calculated by Time Dependent Density Functional Theory (TD-DFT) and matched to the experimental findings. The intramolecular contacts have been interpreted using natural bond orbital (NBO) and natural localized molecular orbital (NLMO) analysis. Thermodynamic properties of 4MNBO at different temperature have been calculated. The molecular electrostatic potential surface (MESP) and Frontier molecular orbital's (FMO's) analysis were investigated using theoretical calculations. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Preparation and characterizations of SnO2 nanopowder and spectroscopic (FT-IR, FT-Raman, UV-Visible and NMR) analysis using HF and DFT calculations.

    Science.gov (United States)

    Ayeshamariam, A; Ramalingam, S; Bououdina, M; Jayachandran, M

    2014-01-24

    In this work, pure and singe phase SnO2 Nano powder is successfully prepared by simple sol-gel combustion route. The photo luminescence and XRD measurements are made and compared the geometrical parameters with calculated values. The FT-IR and FT-Raman spectra are recorded and the fundamental frequencies are assigned. The optimized parameters and the frequencies are calculated using HF and DFT (LSDA, B3LYP and B3PW91) theory in bulk phase of SnO2 and are compared with its Nano phase. The vibrational frequency pattern in nano phase gets realigned and the frequencies are shifted up to higher region of spectra when compared with bulk phase. The NMR and UV-Visible spectra are simulated and analyzed. Transmittance studies showed that the HOMO-LUMO band gap (Kubo gap) is reduced from 3.47 eV to 3.04 eV while it is heated up to 800°C. The Photoluminescence spectra of SnO2 powder showed a peak shift towards lower energy side with the change of Kubo gap from 3.73 eV to 3.229 eV for as-prepared and heated up to 800°C. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  10. Molecular vibrational investigation [FT-IR, FT-Raman, UV-Visible and NMR] on Bis(thiourea) Nickel chloride using HF and DFT calculations.

    Science.gov (United States)

    Anand, S; Sundararajan, R S; Ramachandraraja, C; Ramalingam, S; Durga, R

    2015-03-05

    In the present research work, the FT-IR, FT-Raman spectra of the Bis(thiourea) Nickel chloride (BTNC) were recorded and analyzed. The observed fundamental frequencies in finger print and functional group regions were assigned according to their uniqueness region. The computational calculations were carried out by HF and DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The present organo-metallic compound was made up of covalent and coordination covalent bonds. The modified vibrational pattern of the complex molecule associated with ligand group was analyzed. Furthermore, the (13)C NMR and (1)H NMR spectral data were calculated by using the gauge independent atomic orbital (GIAO) method with B3LYP/6-311++G(d,p) basis set and their spectra were simulated and the chemical shifts linked to TMS were compared. A investigation on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies were carried out. The kubo gap of the present compound was calculated related to HOMO and LUMO energies which confirm the occurring of charge transformation between the base and ligand. Besides frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) was performed. The NLO properties related to Polarizability and hyperpolarizability based on the finite-field approach were also discussed. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

  11. Molecular vibrational investigation [FT-IR, FT-Raman, UV-Visible and NMR] on Bis(thiourea) Nickel chloride using HF and DFT calculations

    Science.gov (United States)

    Anand, S.; Sundararajan, R. S.; Ramachandraraja, C.; Ramalingam, S.; Durga, R.

    2015-03-01

    In the present research work, the FT-IR, FT-Raman spectra of the Bis(thiourea) Nickel chloride (BTNC) were recorded and analyzed. The observed fundamental frequencies in finger print and functional group regions were assigned according to their uniqueness region. The computational calculations were carried out by HF and DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The present organo-metallic compound was made up of covalent and coordination covalent bonds. The modified vibrational pattern of the complex molecule associated with ligand group was analyzed. Furthermore, the 13C NMR and 1H NMR spectral data were calculated by using the gauge independent atomic orbital (GIAO) method with B3LYP/6-311++G(d,p) basis set and their spectra were simulated and the chemical shifts linked to TMS were compared. A investigation on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies were carried out. The kubo gap of the present compound was calculated related to HOMO and LUMO energies which confirm the occurring of charge transformation between the base and ligand. Besides frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) was performed. The NLO properties related to Polarizability and hyperpolarizability based on the finite-field approach were also discussed.

  12. Spectroscopic [FT-IR and FT-Raman] and theoretical [UV-Visible and NMR] analysis on α-Methylstyrene by DFT calculations

    Science.gov (United States)

    Karthikeyan, N.; Joseph Prince, J.; Ramalingam, S.; Periandy, S.

    2015-05-01

    In the present research work, the FT-IR, FT-Raman and 13C and 1H NMR spectra of the α-Methylstyrene were recorded. The observed fundamental frequencies in finger print as well as functional group regions were assigned according to their uniqueness region. The Gaussian computational calculations are carried out by HF and DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The impact of the presence of vinyl group in phenyl structure of the compound is investigated. The modified vibrational pattern of the molecule associated vinyl group was analyzed. Moreover, 13C NMR and 1H NMR were calculated by using the gauge independent atomic orbital (GIAO) method with B3LYP methods and the 6-311++G(d,p) basis set and their spectra were simulated and the chemical shifts linked to TMS were compared. A study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies were carried out. The kubo gap of the present compound was calculated related to HOMO and LUMO energies which confirm the occurring of charge transformation between the base and ligand. Besides frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) was performed. The NLO properties related to Polarizability and hyperpolarizability based on the finite-field approach were also discussed.

  13. Quantum chemical determination of molecular geometries, interpretation of FT-IR, FT-Raman spectra and charge transfer properties for N-(2-cyanoethyl)-N-methylaniline.

    Science.gov (United States)

    Revathi, B; Nataraj, A; Balachandran, V

    2014-04-24

    FT-Raman and FT-IR spectra were recorded for N-(2-cyanoethyl)-N-methylaniline sample in solid state. The equilibrium geometries, harmonic vibrational frequencies, infrared and Raman scattering activities were computed using DFT method. Results obtained at this level of theory were used for a detailed interpretation of the infrared and Raman spectra, based on the potential energy distribution (PED) of the normal modes. Molecular parameters such as bond length, and bond angle were calculated with the same method. The intra-molecular charge transfer was calculated by means of natural bond orbital analysis (NBO). Hyperconjugative interaction energy was more during the π-π(*) transition. Energy gap of the molecule was found using HOMO and LUMO calculation, hence the less band gap, which seems to be more stable. Atomic charges of various atoms of title molecule and other thermo-dynamical parameters were calculated using same levels of calculation. The correlation equations between heat capacity, entropy, Gibb's free energies changes with temperatures were fitted by quadratic formula. UV-VIS spectral analyses of title molecule have been researched by theoretical calculations. In order to understand electronic transitions of the compound, TD-DFT calculations on electronic absorption spectra in gas phase and solvent were performed. The calculated frontier orbital energies, absorption wavelengths (λ), oscillator strengths (f) and excitation energies (E) for gas phase in different solvent are also illustrated. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  14. Combined experimental and quantum chemical studies on spectroscopic (FT-IR, FT-Raman, UV-Vis, and NMR) and structural characteristics of quinoline-5-carboxaldehyde

    Science.gov (United States)

    Kumru, Mustafa; Altun, Ahmet; Kocademir, Mustafa; Küçük, Vesile; Bardakçı, Tayyibe; Şaşmaz, İbrahim

    2016-12-01

    Comparative experimental and theoretical studies have been performed on the structure and spectral (FT-IR, FT-Raman, UV-Vis and NMR) features of quinoline-5-carboxaldehyde. Quantum chemical calculations have been carried out at Hartree-Fock and density functional B3LYP levels with the triple-zeta 6-311++G** basis set. Two stable conformers of quinoline-5-carboxaldehyde arising from the orientation of the carboxaldehyde moiety have been located at the room temperature. The energetic separation of these conformers is as small as 2.5 kcal/mol with a low transition barrier (around 9 kcal/mol). Therefore, these conformers are expected to coexist at the room temperature. Several molecular characteristics of quinoline-5-carboxaldehyde obtained through B3LYP and time-dependent B3LYP calculations, such as conformational stability, key geometry parameters, vibrational frequencies, IR and Raman intensities, UV-Vis vertical excitation energies and the corresponding oscillator strengths have been analyzed. The 1H and 13C NMR chemical shifts of quinoline-5-carboxaldehyde were also investigated.

  15. Acid-base properties, FT-IR, FT-Raman spectroscopy and computational study of 1-(pyrid-4-yl)piperazine.

    Science.gov (United States)

    Mary, Y Sheena; Panicker, C Yohannan; Varghese, Hema Tresa; Van Alsenoy, Christian; Procházková, Markéta; Sevčík, Richard; Pazdera, Pavel

    2014-01-01

    We report the vibrational spectral analysis was carried out using FT-IR and FT-Raman spectroscopy for 1-(pyrid-4-yl)piperazine (PyPi). Single crystals of PyPi suitable for X-ray structural analysis were obtained. The acid-base properties are also reported. PyPi supported on a weak acid cation-exchanger in the single protonated form and this system can be used efficiently as the solid supported analogue of 4-N,N-dimethyl-aminopyridine. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule and with the molecular electrostatic potential map was applied for the reactivity assessment of PyPi molecule toward proton, electrophiles and nucleopholes as well. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The calculated first hyperpolarizability of PyPi is 17.46 times that of urea. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Determination of alkaloids in capsules, milk and ethanolic extracts of poppy (Papaver somniferum L.) by ATR-FT-IR and FT-Raman spectroscopy.

    Science.gov (United States)

    Schulz, Hartwig; Baranska, Malgorzata; Quilitzsch, Rolf; Schütze, Wolfgang

    2004-10-01

    Fourier transform (FT) infrared spectroscopy using a diamond composite ATR crystal and NIR-FT-Raman spectroscopy techniques were applied for the simultaneous identification and quantification of the most important alkaloids in poppy capsules. Most of the characteristic Raman signals of the alkaloids can be identified in poppy milk isolated from unripe capsules. But also poppy extracts present specific bands relating clearly to the alkaloid fraction. Raman spectra obtained by excitation with a Nd:YAG laser at 1064 nm show no disturbing fluorescence effects; therefore the plant tissue can be recorded without any special preparation. The used diamond ATR technique allows to measure very small sample amounts (5-10 microL or 2-5 mg) without the necessity to perform time-consuming pre-treatments. When applying cluster analysis a reliable discrimination of "low-alkaloid" and "high-alkaloid" poppy single-plants can be easily achieved. The examples presented in this study provide clear evidence of the benefits of Raman and ATR-IR spectroscopy in efficient quality control, forensic analysis and high-throughput evaluation of poppy breeding material.

  17. Quantum mechanical, spectroscopic studies (FT-IR, FT-Raman, NMR, UV) and normal coordinates analysis on 3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N'-sulfamoylpropanimidamide

    Science.gov (United States)

    Muthu, S.; Uma Maheswari, J.; Sundius, Tom

    2013-05-01

    Famotidine (3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N'-sulfamoylpropanimidamide) is a histamine H2-receptor antagonist that inhibits stomach acid production, and it is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD/GORD). Quantum chemical calculations of the equilibrium geometry of famotidine in the ground state were carried out using density functional theory (DFT/B3LYP) with the 6-311G(d,p) basis set. In addition, harmonic vibrational frequencies, infrared intensities and Raman activities were calculated at the same level of theory. A detailed interpretation of the infrared and Raman spectrum of the drug is also reported. Theoretical simulations of the FT-IR, and FT-Raman spectra of the title compound have been calculated. Good correlations between the experimental 1H and 13C NMR chemical shifts and calculated GIAO shielding tensors were found. The results of the energy and oscillator strength calculations by time-dependent density functional theory (TD-DFT) supplement the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (COOP or OPDOS) diagrams analysis were presented. The dipole moment, linear polarizability and first order hyperpolarizability values were also computed. The linear polarizability and first order hyperpolarizabilities of the studied molecule indicate that the compound is a good candidate for nonlinear optical materials.

  18. FT-IR, FT-Raman, UV/Vis spectra and fluorescence imaging studies on 2-(bromoacetyl)benzo(b)furan by ab initio DFT calculations.

    Science.gov (United States)

    Veeraiah, A

    2015-08-05

    The vibrational and electronic properties of 2-(bromoacetyl)benzo(b)furan have been studied in the ground state using experimental techniques (FT-IR, FT-Raman and UV) and density functional theory (DFT) employing B3LYP exchange correlation with the 6-31G(d,p) basis set. The theoretically calculated optimized parameters, vibrational frequencies etc., were compared with the experimental values, which yield good agreement between the observed and calculated values. The complete assignments of fundamental modes were performed on the basis of the potential energy distribution (PED). UV-visible spectrum of the compound was recorded in the region 300-600 nm and compared with the theoretical spectrum obtained from SAC-CI calculations. A good agreement is observed between the experimental and theoretical spectra. Fluorescence microscopic imaging studies proved that the compound can be used as one of the potential light sources in the yellow region with suitable excitation. Further, the predicted electronic transitions between the MOs 47→64, 52→62, 56→65, 56→72, 56→77 of the compound show a strong line at 569.8 nm. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. The spectroscopic (FT-IR, FT-Raman, UV and NMR) first order hyperpolarizability and HOMO-LUMO analysis of dansyl chloride.

    Science.gov (United States)

    Karabacak, M; Cinar, M; Kurt, M; Poiyamozhi, A; Sundaraganesan, N

    2014-01-03

    The solid phase FT-IR and FT-Raman spectra of dansyl chloride (DC) have been recorded in the regions 400-4000 and 50-4000 cm(-1), respectively. The spectra have been interpreted in terms of fundamentals modes, combination and overtone bands. The structure of the molecule has been optimized and the structural characteristics have been determined by density functional theory (B3LYP) method with 6-311++G(d,p) as basis set. The vibrational frequencies were calculated for most stable conformer and were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. The infrared and Raman spectra have also been predicted from the calculated intensities. (1)H and (13)CNMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-Visible spectrum of the compound was recorded in the region 200-600 nm and the electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Nonlinear optical and thermodynamic properties were interpreted. All the calculated results were compared with the available experimental data of the title molecule. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Quantum mechanical, spectroscopic studies (FT-IR, FT-Raman, NMR, UV) and normal coordinates analysis on 3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N'-sulfamoylpropanimidamide.

    Science.gov (United States)

    Muthu, S; Uma Maheswari, J; Sundius, Tom

    2013-05-01

    Famotidine (3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N'-sulfamoylpropanimidamide) is a histamine H2-receptor antagonist that inhibits stomach acid production, and it is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD/GORD). Quantum chemical calculations of the equilibrium geometry of famotidine in the ground state were carried out using density functional theory (DFT/B3LYP) with the 6-311G(d,p) basis set. In addition, harmonic vibrational frequencies, infrared intensities and Raman activities were calculated at the same level of theory. A detailed interpretation of the infrared and Raman spectrum of the drug is also reported. Theoretical simulations of the FT-IR, and FT-Raman spectra of the title compound have been calculated. Good correlations between the experimental (1)H and (13)C NMR chemical shifts and calculated GIAO shielding tensors were found. The results of the energy and oscillator strength calculations by time-dependent density functional theory (TD-DFT) supplement the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (COOP or OPDOS) diagrams analysis were presented. The dipole moment, linear polarizability and first order hyperpolarizability values were also computed. The linear polarizability and first order hyperpolarizabilities of the studied molecule indicate that the compound is a good candidate for nonlinear optical materials. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene.

    Science.gov (United States)

    Kose, E; Atac, A; Karabacak, M; Nagabalasubramanian, P B; Asiri, A M; Periandy, S

    2013-12-01

    The spectroscopic properties of mesitylene were investigated by FT-IR, FT-Raman, UV, (1)H and (13)C NMR techniques. The geometrical parameters and energies have been obtained from density functional theory (DFT) B3LYP method and Hartree-Fock (HF) method with 6-311++G(d,p) and 6-311G(d,p) basis sets calculations. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (OPDOS) diagrams analysis were presented. (13)C and (1)H NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) and thermodynamic properties were performed. Reduced density gradient (RDG) of the mesitylene was also given to investigate interactions of the molecule. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations.

    Science.gov (United States)

    Sinha, L; Prasad, O; Chand, S; Sachan, A K; Pathak, S K; Shukla, V K; Karabacak, M; Asiri, A M

    2014-12-10

    FT-IR and FT-Raman spectra of anethole (1-Methoxy-4-(1-propenyl)benzene), a flavoring agent of commercial value, have been recorded in the regions 4000-400 and 4000-100cm(-1) respectively. The structure of the title molecule has been optimized and the structural parameters have been calculated by DFT/B3LYP method with 6-311++G(d,p) basis set. The fundamental vibrational wavenumbers as well as their intensities were calculated and a good agreement between observed and scaled calculated wavenumbers has been achieved. UV-Vis spectrum of the title compound was recorded in the region 200-500nm and the electronic properties such as HOMO and LUMO energies and associated energy gap were calculated by Time dependent-density functional theory (TD-DFT) approach. Nonlinear optical (NLO) study divulges the nonlinear properties of the molecule. Stability of the title molecule arising from hyper-conjugative interactions and charge delocalization has been investigated using natural bond orbital (NBO) analysis. The theoretical results were found to be in coherence with the measured experimental data. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. WEREWOLF, a regulator of root hair pattern formation, controls flowering time through the regulation of FT mRNA stability.

    Science.gov (United States)

    Seo, Eunjoo; Yu, Jihyeon; Ryu, Kook Hui; Lee, Myeong Min; Lee, Ilha

    2011-08-01

    A key floral activator, FT, integrates stimuli from long-day, vernalization, and autonomous pathways and triggers flowering by directly regulating floral meristem identity genes in Arabidopsis (Arabidopsis thaliana). Since a small amount of FT transcript is sufficient for flowering, the FT level is strictly regulated by diverse genes. In this study, we show that WEREWOLF (WER), a MYB transcription factor regulating root hair pattern, is another regulator of FT. The mutant wer flowers late in long days but normal in short days and shows a weak sensitivity to vernalization, which indicates that WER controls flowering time through the photoperiod pathway. The expression and double mutant analyses showed that WER modulates FT transcript level independent of CONSTANS and FLOWERING LOCUS C. The histological analysis of WER shows that it is expressed in the epidermis of leaves, where FT is not expressed. Consistently, WER regulates not the transcription but the stability of FT mRNA. Our results reveal a novel regulatory mechanism of FT that is non cell autonomous.

  4. Characterization of two PEBP genes, SrFT and SrMFT, in thermogenic skunk cabbage (Symplocarpus renifolius).

    Science.gov (United States)

    Ito-Inaba, Yasuko; Masuko-Suzuki, Hiromi; Maekawa, Haruhiko; Watanabe, Masao; Inaba, Takehito

    2016-07-08

    Floral thermogenesis has been found in dozens of primitive seed plants and the reproductive organs in these plants produce heat during anthesis. Thus, characterization of the molecular mechanisms underlying flowering is required to fully understand the role of thermogenesis, but this aspect of thermogenic plant development is largely unknown. In this study, extensive database searches and cloning experiments suggest that thermogenic skunk cabbage (Symplocarpus renifolius), which is a member of the family Araceae, possesses two genes encoding phosphatidyl ethanolamine-binding proteins (PEBP), FLOWERING LOCUS T (SrFT) and MOTHER OF FT AND TFL1 (SrMFT). Functional analyses of SrFT and SrMFT in Arabidopsis indicate that SrFT promotes flowering, whereas SrMFT does not. In S. renifolius, the stage- and tissue-specific expression of SrFT was more evident than that of SrMFT. SrFT was highly expressed in flowers and leaves and was mainly localized in fibrovascular tissues. In addition, microarray analysis revealed that, within floral tissues, SrFT was co-regulated with the genes associated with cellular respiration and mitochondrial function, including ALTERNATIVE OXIDASE gene proposed to play a major role in floral thermogenesis. Taken together, these data suggest that, among the PEBP genes, SrFT plays a role in flowering and floral development in the thermogenic skunk cabbage.

  5. Collaborative Student Laboratory Exercise Using FT-IR Spectroscopy for the Kinetics Study of a Biotin Analogue

    Science.gov (United States)

    Leong, Jhaque; Ackroyd, Nathan C.; Ho, Karen

    2014-01-01

    The synthesis of N-methoxycarbonyl-2-imidazolidone, an analogue of biotin, was conducted by organic chemistry students and confirmed using FT-IR and H NMR. Spectroscopy students used FT-IR to measure the rate of hydrolysis of the product and determined the rate constant for the reaction using the integrated rate law. From the magnitude of the rate…

  6. [(64) Cu]-labelled trastuzumab

    DEFF Research Database (Denmark)

    Schjoeth-Eskesen, Christina; Nielsen, Carsten Haagen; Heissel, Søren

    2015-01-01

    ,7 acetic acid (NODAGA) analogue in a preliminary HER2 tumour mouse model. The chelators were conjugated to trastuzumab using the activated esters DOTA mono-N-hydroxysuccinimide (NHS) and NODAGA-NHS. (64) Cu-labelling of DOTA-trastuzumab was studied by varying the amount of DOTA-trastuzumab used, reaction...... [(64) Cu]DOTA-trastuzumab and [(64) Cu]NODAGA-trastuzumab were produced after purification with radiochemical purities of >97%. The tracers were injected into mice with HER2 expressing tumours. The mice were imaged by positron emission tomography and showed high tumour uptake of 3-9% ID/g for both......The human epidermal growth factor receptor-2 (HER2) is overexpressed in 20-30% of all breast cancer cases, leading to increased cell proliferation, growth and migration. The monoclonal antibody, trastuzumab, binds to HER2 and is used for treatment of HER2-positive breast cancer. Trastuzumab has...

  7. Mechanochemical synthesis of dodecyl sulfate anion (DS-) intercalated Cu-Al layered double hydroxide

    Science.gov (United States)

    Qu, Jun; He, Xiaoman; Lei, Zhiwu; Zhang, Qiwu; Liu, Xinzhong

    2017-12-01

    Dodecyl sulfate anion (DS-) was successfully intercalated into the gallery space of Cu-Al layered double hydroxides (LDH) by a non-heating mechanochemical route, in which basic cupric carbonate (Cu2(OH)2CO3) and aluminum hydroxide (Al(OH)3) were first dry ground and then agitated in SDS solution under ambient environment. The organics modified Cu-Al LDH showed good adsorption ability toward 2,4-dichlorophenoxyacetic acid (2, 4-D). The prepared samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), CHS elemental analysis and Scanning electron microscopy (SEM). The LDH precursor prepared by ball-milling could directly react with SDS molecules forming a pure phase of DS- pillared Cu-Al LDH, which was not observed with the LDH product through the ion-exchange of DS- at room temperature. The process introduced here may be applied to manufacture other types of organic modified composites for pollutants removal and other applications.

  8. Raman and Fourier Transform Infrared (FT-IR) Mineral to Matrix Ratios Correlate with Physical Chemical Properties of Model Compounds and Native Bone Tissue.

    Science.gov (United States)

    Taylor, Erik A; Lloyd, Ashley A; Salazar-Lara, Carolina; Donnelly, Eve

    2017-10-01

    Raman and Fourier transform infrared (FT-IR) spectroscopic imaging techniques can be used to characterize bone composition. In this study, our objective was to validate the Raman mineral:matrix ratios (ν 1 PO 4 :amide III, ν 1 PO 4 :amide I, ν 1 PO 4 :Proline + hydroxyproline, ν 1 PO 4 :Phenylalanine, ν 1 PO 4 :δ CH 2 peak area ratios) by correlating them to ash fraction and the IR mineral:matrix ratio (ν 3 PO 4 :amide I peak area ratio) in chemical standards and native bone tissue. Chemical standards consisting of varying ratios of synthetic hydroxyapatite (HA) and collagen, as well as bone tissue from humans, sheep, and mice, were characterized with confocal Raman spectroscopy and FT-IR spectroscopy and gravimetric analysis. Raman and IR mineral:matrix ratio values from chemical standards increased reciprocally with ash fraction (Raman ν 1 PO 4 /Amide III: P IR P IR mineral:matrix ratio values were strongly correlated ( P IR spectra, developed by applying the Beer-Lambert law to calculate the relative extinction coefficients of HA and collagen over the same range of wavenumbers (800-1800 cm -1 ). The results confirm that the Raman mineral:matrix bone composition parameter correlates strongly to ash fraction and to its IR counterpart. Finally, the mineral:matrix ratio values of the native bone tissue are similar to those of both chemical standards and theoretical values, confirming the biological relevance of the chemical standards and the characterization techniques.

  9. Structural properties and chemical homogeneity of underdoped La{sub 2{minus}x}M{sub x}CuO{sub 4} cuprates (M = Sr, Ba)

    Energy Technology Data Exchange (ETDEWEB)

    Ferretti, M.; Magnone, E.; Napoletano, M. [Univ. degli Studi di Genova (Italy)

    1999-04-20

    The present work reports a systematic and accurate study on crystal structure and chemical homogeneity of underdoped La{sub 2{minus}x}M{sub x}CuO{sub 4} (M = Ba, Sr). Samples` structural characterization performed by Rietveld refinement of XRD powder diffraction profiles provided an accurate working trendline for the dopant concentration determination. Furthermore FT-IR skeletal analysis and SIMS investigations ensured chemical homogeneity even for samples with very low dopant contents.

  10. Order in Cu4Mn

    International Nuclear Information System (INIS)

    Hunter, B.A.; Cussen, L.D.; Kennedy, S.J.; Murani, A.P.; MacA Gray, E.

    2002-01-01

    Full text: Atomic short-range order has been well studied in CuMn alloys using neutron diffraction. It has been shown that the degree of short-range order greatly affect the magnetic properties. A sample of Cu 4 Mn irradiated in a high fast neutron flux has developed long range atomic order as shown by a number of small neutron scattering Bragg peaks. The characteristic (1 1/2 0) diffuse peak has changed shape slightly. There is no observable change in the magnetic diffuse quasi-elastic neutron scattering between scattering vectors of 0.16 and 2.5 Angstroms ∼1

  11. Accounting standards

    NARCIS (Netherlands)

    Stellinga, B.; Mügge, D.

    2014-01-01

    The European and global regulation of accounting standards have witnessed remarkable changes over the past twenty years. In the early 1990s, EU accounting practices were fragmented along national lines and US accounting standards were the de facto global standards. Since 2005, all EU listed

  12. Facile synthesis, characterization and magnetic property of CuFe{sub 12}O{sub 19} nanostructures via a sol–gel auto-combustion process

    Energy Technology Data Exchange (ETDEWEB)

    Ansari, Fatemeh [Institute of Nano Science and Nano Technology, University of Kashan, P.O. Box. 87317–51167, Kashan, Islamic Republic of Iran (Iran, Islamic Republic of); Sobhani, Azam, E-mail: sobhaniazam@gmail.com [Department of Chemistry, Kosar University of Bojnord, Bojnord, Islamic Republic of Iran (Iran, Islamic Republic of); Salavati-Niasari, Masoud, E-mail: salavati@kashanu.ac.ir [Institute of Nano Science and Nano Technology, University of Kashan, P.O. Box. 87317–51167, Kashan, Islamic Republic of Iran (Iran, Islamic Republic of)

    2016-03-01

    Copper hexaferrite (CuFe{sub 12}O{sub 19}) nanostructures were prepared by a simple route utilizing maltose-assisted sol–gel process. The morphology, phase structure, composition and purity of nanostructures can be controlled by type of surfactant and also adjusting the Cu:surfactant, Cu:Fe and Cu:reductant ratios. The bean-shape structures are formed in the absence of the surfactant when the molar ratio of Cu:Fe and Cu:reductant are 1:12 and 1:26, respectively. The agglomerated spherical nanoparticles with diameters ranging from 7 to 20 nm are obtained in the presence of triplex, when ratio of Cu:reductant is 1:26. In the absence of surfactant and also in the presence of triplex, the samples are found to be CuFe{sub 12}O{sub 19}. When polymer is used, there are still the peaks of CuFe{sub 12}O{sub 19} and also some boad peaks in XRD patterns, because of the small size and encapsulation of nanostructures with polymer. Magnetic measurments show superparamagnetic behavior for the all samples. The M{sub s} for the samples obtained in the presence of polymer shows that the coating of magnetic nanostructures does not always increase M{sub s}. FT-IR frequency bands in the range 463–626, 607 and 542 cm{sup −1} correspond to the formation of metal oxides in ferrites. - Highlights: • Copper hexaferrite nanostructures were synthesized for the first time. • A sol–gel auto-combustion route was used to synthesize copper hexaferrites. • Maltose was used as a new reductant. • The various polymers used to as co-fuel for completing combustion reaction. • Ideal ratios between Cu:Fe and Cu:reductant were 1:12 and 1:26, respectively.

  13. Over-expression of an FT-homologous gene of apple induces early flowering in annual and perennial plants.

    Science.gov (United States)

    Tränkner, Conny; Lehmann, Sandra; Hoenicka, Hans; Hanke, Magda-Viola; Fladung, Matthias; Lenhardt, Denise; Dunemann, Frank; Gau, Achim; Schlangen, Karin; Malnoy, Mickael; Flachowsky, Henryk

    2010-11-01

    The protein encoded by the FLOWERING LOCUS T (FT) gene from Arabidopsis thaliana seems to be the long-searched florigen, and over-expression of FT orthologues resulted in accelerated flower development in annual and perennial plants. In the present study, we isolated two allelic mRNA sequences of an FT-homologous gene from apple, which was designated as MdFT1. Using a SSR motif this gene was mapped on LG 12 of apple. Over-expression of MdFT1 in Arabidopsis and the commercially important tree species poplar and apple itself using the CaMV 35S or the Arabidopsis Suc2 promoter resulted in significant accelerated flowering compared with wild-type plants. Transgenic T(0) plants of Arabidopsis flowered 4-6 days on average earlier than wild-type Arabidopsis under LD conditions. Under short-day conditions Suc2::MdFT1 plants of the T(1)-generation flowered after 66 ± 18 days, while wild-type plants flowered about 22 days later. All transgenic Arabidopsis plants showed a normal habit except for the early flowering phenotype. Early flowering was detected 6-10 months after transformation in transgenic polar clones containing MdFT1 driven by the CaMV 35S, whereas plants of the transgenic apple clone T780 set up its first flowers during in vitro cultivation. Based on our results we conclude that MdFT1 is responsible for inducing flowering and that the function of the apple FT1 gene is conserved in annual herbaceous species as well as perennial woody species. Furthermore, we discuss the role of MdFT1 in flower development with regard to the findings of genetic studies on apple.

  14. Superconducting films of YBaCuO

    International Nuclear Information System (INIS)

    Coelho, A.L.

    1991-01-01

    Thick films of YBa 2 Cu 3 O 7 - x have been prepared on alumina and YSZ (Yttria-stabilized zirconia) substrates by the screen printing technique. Several experimental conditions have been studied, for instance: sintering time, temperature, thickness and atmosphere annealed. The resulting films have been characterized by X-ray diffraction, AC electrical resistance, AC susceptibility and scanning electron microscopy. The surface and cross-section have been observed with an optical microscope. The X-ray diffraction patterns have been compared with a typical pattern and that has indicated the good quality of the samples. AC resistance and its temperature dependence have been measured in the standard four-probe configuration. Films thickness has been estimated in the scanning electron microscope. This technique has been suitable for production of high T c superconducting films being a simple and inexpensive method. (author)

  15. Thermal properties of tannin extracted from Anacardium occidentale L. using TGA and FT-IR spectroscopy.

    Science.gov (United States)

    Viswanath, Vinod; Leo, Vincent Vineeth; Prabha, S Sabna; Prabhakumari, C; Potty, V P; Jisha, M S

    2016-01-01

    The chemical nature of the polyphenols of cashew kernel testa has been determined. Testa contains tannins, which present large molecular complexity and has an ancient use as tanning agents. The use of tannins extracted from cashew testa, considered in many places as a waste, grants an extra value to the cashew. In this work we have analysed through high performance liquid chromatography, infrared spectroscopy (FT-IR) and thermo gravimetric analysis the average molecular weight, main functional groups and thermal properties of tannins extracted from Anacardium occidentale L. The results of these analyses are compared with the commercial grade tannic acid. The FT-IR spectra showed bands characteristic of C = C, C-C and OH bonds. This important bioactive compound present in the cashew nut kernel testa was suggested as an interesting economical source of antioxidants for use in the food and nutraceutical industry.

  16. FINAL DESIGN REVIEW REPORT Subcritical Experiments Gen 2, 3-ft Confinement Vessel Weldment

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Christopher [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-09-28

    A Final Design Review (FDR) of the Subcritical Experiments (SCE) Gen 2, 3-ft. Confinement Vessel Weldment was held at Los Alamos National Laboratory (LANL) on September 14, 2017. The review was a focused review on changes only to the confinement vessel weldment (versus a system design review). The changes resulted from lessons-learned in fabricating and inspecting the current set of confinement vessels used for the SCE Program. The baseline 3-ft. confinement vessel weldment design has successfully been used (to date) for three (3) high explosive (HE) over-tests, two (2) fragment tests, and five (5) integral HE experiments. The design team applied lessons learned from fabrication and inspection of these vessel weldments to enhance fit-up, weldability, inspection, and fitness for service evaluations. The review team consisted of five (5) independent subject matter experts with engineering design, analysis, testing, fabrication, and inspection experience. The

  17. Signal-to-noise ratio of FT-IR CO gas spectra

    DEFF Research Database (Denmark)

    Bak, J.; Clausen, Sønnik

    1999-01-01

    in emission and transmission spectrometry, an investigation of the SNR in CO gas spectra as a function of spectral resolution has been carried out. We present a method to (1) determine experimentally the SNR at constant throughput, (2) determine the SNR on the basis of measured noise levels and Hitran......The minimum amount of a gaseous compound which can be detected and quantified with Fourier transform infrared (FT-IR) spectrometers depends on the signal-to-noise ratio (SNR) of the measured gas spectra. In order to use low-resolution FT-IR spectrometers to measure combustion gases like CO and CO2...... simulated signals, and (3) determine the SNR of CO from high to low spectral resolutions related to the molecular linewidth and vibrational-rotational lines spacing. In addition, SNR values representing different spectral resolutions but scaled to equal measurement times were compared. It was found...

  18. Characterization of human ovarian teratoma hair by using AFM, FT-IR, and Raman spectroscopy.

    Science.gov (United States)

    Kim, Kyung Sook; Lee, Jinwoo; Jung, Min-Hyung; Choi, Young Joon; Park, Hun-Kuk

    2011-12-01

    The structural, physical, and chemical properties of hair taken from an ovarian teratoma (teratoma hair) was first examined by atomic force microscopy (AFM), Fourier transform infrared (FT-IR), and Raman spectroscopy. The similarities and differences between the teratoma hair and scalp hair were also investigated. Teratoma hair showed a similar morphology and chemical composition to scalp hair. Teratoma hair was covered with a cuticle in the same manner as scalp hair and showed the same amide bonding modes as scalp hair according to FT-IR and Raman spectroscopy. On the other hand, teratoma hair showed different physical properties and cysteic acid bands from scalp hair: the surface was rougher and the adhesive force was lower than the scalp hair. The cystine oxides modes did not change with the position unlike scalp hair. These differences can be understood by environmental effects not by the intrinsic properties of the teratoma hair. Copyright © 2011 Wiley Periodicals, Inc.

  19. Study of the Pyrrol/Diphenylamine Copolymer by FT-IR spectroscopy and conductivity

    Directory of Open Access Journals (Sweden)

    Carlos Alberto Perez

    2004-01-01

    Full Text Available The main goal of this study was to analyze the physical properties of the copolymer formed by the electrochemical deposition of the polydiphenylamine (PDPA on polypyrrole (Ppy and Ppy on PDPA, in different conditions, through the characterization of the materials formed by the resonant Raman, FT-IR and conductivity techniques. The interactions among the species which are present in the new copolymer structure and the changes in electronic conductivity, were verified. The copolymer was also synthesized electrochemically in the presence of iodide species and the material was characterized by FT-IR spectroscopy and conductivity. The role of the dopant was studied in the process of charge transfer between the copolymer-dopant, acting in the stabilization of the species in the polymer backbone and the increase of the electronic conductivity.

  20. Application of Printed Circuit Board Technology to FT-ICR MS Analyzer Cell Construction and Prototyping

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Franklin E.; Norheim, Randolph V.; Anderson, Gordon A.; Pasa-Tolic, Ljiljana

    2014-12-01

    Although Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS) remains themass spectrometry platform that provides the highest levels of performance for mass accuracy and resolving power, there is room for improvement in analyzer cell design as the ideal quadrupolar trapping potential has yet to be generated for a broadband MS experiment. To this end, analyzer cell designs have improved since the field’s inception, yet few research groups participate in this area because of the high cost of instrumentation efforts. As a step towards reducing this barrier to participation and allowing for more designs to be physically tested, we introduce a method of FT-ICR analyzer cell prototyping utilizing printed circuit boards at modest vacuum conditions. This method allows for inexpensive devices to be readily fabricated and tested over short intervals and should open the field to laboratories lacking or unable to access high performance machine shop facilities because of the required financial investment.

  1. Spectroscopic studies (FT-IR, FT-Raman, UV-Visible), normal co-ordinate analysis, first-order hyperpolarizability and HOMO, LUMO studies of 3,4-dichlorobenzophenone by using Density Functional Methods.

    Science.gov (United States)

    Venkata Prasad, K; Samatha, K; Jagadeeswara Rao, D; Santhamma, C; Muthu, S; Mark Heron, B

    2015-01-01

    The vibrational frequencies of 3,4-dichlorobenzophenone (DCLBP) were obtained from the FT-IR and Raman spectral data, and evaluated based on the Density Functional Theory using the standard method B3LYP with 6-311+G(d,p) as the basis set. On the basis of potential energy distribution together with the normal-co-ordinate analysis and following the scaled quantum mechanical force methodology, the assignments for the various frequencies were described. The values of the electric dipole moment (μ) and the first-order hyperpolarizability (β) of the molecule were computed. The UV-absorption spectrum was also recorded to study the electronic transitions. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The NBO analysis, to study the intramolecular hyperconjugative interactions, was carried out. Mulliken's net charges were evaluated. The MEP and thermodynamic properties were also calculated. The electron density-based local reactivity descriptor, such as Fukui functions, was calculated to explain the chemical selectivity or reactivity site in 3,4-dichlorobenzophenone. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Standardization of milk mid-infrared spectrometers for the transfer and use of multiple models

    OpenAIRE

    Grelet, Clément; Pierna, J. A. Fernández; Dardenne, P.; Soyeurt, Hélène; Vanlierde, Amélie; Colinet, Frédéric; Bastin, Catherine; Gengler, Nicolas; Baeten, V.; Dehareng, F.

    2017-01-01

    An increasing number of models are being developed to provide information from milk Fourier transform mid-infrared (FT-MIR) spectra on fine milk composition, technological properties of milk, or even cows' physiological status. In this context, and to take advantage of these existing models, the purpose of this work was to evaluate whether a spectral standardization method can enable the use of multiple equations within a network of different FT-MIR spectrometers. The piecewise direct standar...

  3. S. Afr. J, Anim. Sci 4, 55-60(1974) EVIDENCE FOR A FT ...

    African Journals Online (AJOL)

    Sci 4, 55-60(1974). EVIDENCE FOR A FT,JNCTIONAL ROLE OF THE PINEAL IN BOVINES. M.lf{.M. llryes, B.K. Knight and R.B. Symington. RreiptofnSr.e.T3. Deprtment of Amtomy, Univasity of Rhodesh, &lisbury, Rhodesia. ONOIIIMING;. BEWYSE VIR 'N .FI,,NKSIONELE ROL VAN DIE EPIFISE TN DIE BEES. Dat die epifisc ...

  4. Oversampling Selective Accumulation Trapped Ion Mobility Spectrometry Coupled to FT-ICR MS: Fundamentals and Applications.

    Science.gov (United States)

    Benigni, Paolo; Fernandez-Lima, Francisco

    2016-07-19

    In the present paper, we describe the fundamentals and analytical advantages of Oversampling Selective Accumulation Trapped Ion Mobility Spectrometry (OSA-TIMS) when coupled to ultrahigh resolution mass analyzers (e.g., FT-ICR MS). During TIMS analysis, ion packages are spatially resolved based on their mobilities along the TIMS analyzer axis and multiple strategies can be utilized during the trapping and elution of the ion population of interest. In the case of OSA-TIMS-FT-ICR MS, the TIMS operation sequence, trapping conditions, and operations are optimized to increase the signal-to-noise and the number of points across the mobility domain, which leads to more accurate mobility and mass measurements. Experimental results show that accurate ion-neutral collision cross sections (analytical advantages of OSA-TIMS over SA-TIMS were illustrated for the analysis of structural peptide isomers (SDGRG and GRGDS [M + H](+)), conformational isomers (AT-hook peptide 3 KRGRGRPRK [M + 2H](+2)), and a complex mixture of polyaromatic hydrocarbons (PAH) from coal tar. Baseline separation of the structural peptide isomers SDGRG and GRGDS, [M + H](+), was observed, and three conformations were identified for the AT-hook peptide 3 KRGRGRPRK [M + 2H](+2) during OSA-TIMS-FT-ICR MS. A 2-fold increase in the number of molecular features and a 2-6-fold signal-to-noise increase was observed for OSA-TIMS when compared with SA-TIMS during the PAH analysis. This work provides the proof-of-principle for further application of OSA-TIMS-FT-ICR MS for the unsupervised analysis of complex mixtures based on the characterization of the conformational space and the assignment of chemical formulas in a single analysis.

  5. Local Lorentz transformation and exact spherically symmetric vacuum solutions in f(T) gravity theories

    Energy Technology Data Exchange (ETDEWEB)

    Nashed, Gamal G.L. [The British University in Egypt, Centre for Theoretical Physics, P.O. Box 43, Sherouk City (Egypt); Ain Shams University, Mathematics Department, Faculty of Science, Cairo (Egypt)

    2013-04-15

    In this paper a non-diagonal, spherically symmetric, tetrad field that contains an arbitrary function, S(r), which corresponds to a local Lorentz transformation, is applied to the field equations of f(T) gravity theories. Analytic vacuum solutions with integration constants are derived. These constants are studied by calculating the total conserved charge associated with each solution. The study shows that the obtained solutions represent the Schwarzschild-Ads spacetime. (orig.)

  6. Estimation of Organic and Elemental Carbon using FT-IR absorbance spectra from PTFE Filters

    OpenAIRE

    Reggente, Matteo; Dillner, Ann; Takahama, Satoshi

    2015-01-01

    Organic carbon and elemental carbon are major components of atmospheric PM. Typically they are measured using destructive and relatively expensive methods (e.g., TOR). We aim to reduce the operating costs of large air quality monitoring networks using FT-IR spectra of ambient PTFE filters and PLS regression. We achieve accurate predictions for models (calibrated in 2011) that use samples collected at the same or different sites of the calibration data set and in a different year (2013).

  7. Real Time Quality Control Methods for Cued EMI Data Collection

    Science.gov (United States)

    2016-01-12

    surveying the center of the test grid with an RTK differential GPS receiver to obtain accurate coordinates for the test pit. We then guided the...Certification Program GPS – Global Positioning System IMU – Inertial Measurement Unit ISO – Industry Standard Object IVS – Instrument Verification...acquisition software. Additionally, any cued sensor will require sensor head positioning information, typically in the form of GPS and Inertial Measurement

  8. Investigating mixing and segregation using discrete element modelling (DEM) in the Freeman FT4 rheometer.

    Science.gov (United States)

    Yan, Zilin; Wilkinson, Sam K; Stitt, Edmund H; Marigo, Michele

    2016-11-20

    Mixing and segregation in a Freeman FT4 powder rheometer, using binary mixtures with varied particle size ratio and volume fraction, were studied using the Discrete Element Method (DEM). As the blade moves within the particle bed, size induced segregations can occur via a sifting mechanism. A larger particle size ratio and/or a larger volume fraction of large particles lead to a quicker segregation process. A higher particle velocity magnitude can promote the segregation process and the rate for the segregation index increases in the radial direction: from the centre towards the outer layer. In the current DEM simulations, it is shown that the change in flow energy associated with segregation and mixing depends on the choice of frictional input parameters. FT4 is proposed as a potential tool to compare and rank the segregation tendency for particulate materials with distinct differences in flow energy of each component. This is achieved by measuring the flow energy gradient after a number of test cycles for mixing powders with different flow properties. Employing the FT4 dynamic powder characterisation can be advantageous to establish blending performances in an industrial context. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Non-destructive prediction of 'Hass' avocado dry matter via FT-NIR spectroscopy.

    Science.gov (United States)

    Wedding, Brett B; White, Ronald D; Grauf, Steve; Wright, Carole; Tilse, Bonnie; Hofman, Peter; Gadek, Paul A

    2011-01-30

    The inability to consistently guarantee internal quality of horticulture produce is of major importance to the primary producer, marketers and ultimately the consumer. Currently, commercial avocado maturity estimation is based on the destructive assessment of percentage dry matter (%DM), and sometimes percentage oil, both of which are highly correlated with maturity. In this study the utility of Fourier transform (FT) near-infrared spectroscopy (NIRS) was investigated for the first time as a non-invasive technique for estimating %DM of whole intact 'Hass' avocado fruit. Partial least squares regression models were developed from the diffuse reflectance spectra to predict %DM, taking into account effects of intra-seasonal variation and orchard conditions. It was found that combining three harvests (early, mid and late) from a single farm in the major production district of central Queensland yielded a predictive model for %DM with a coefficient of determination for the validation set of 0.76 and a root mean square error of prediction of 1.53% for DM in the range 19.4-34.2%. The results of the study indicate the potential of FT-NIRS in diffuse reflectance mode to non-invasively predict %DM of whole 'Hass' avocado fruit. When the FT-NIRS system was assessed on whole avocados, the results compared favourably against data from other NIRS systems identified in the literature that have been used in research applications on avocados. 2010 Society of Chemical Industry.

  10. Can f(T) gravity theories mimic ΛCDM cosmic history

    Energy Technology Data Exchange (ETDEWEB)

    Setare, M.R.; Mohammadipour, N., E-mail: rezakord@ipm.ir, E-mail: N.Mohammadipour@uok.ac.ir [Department of Science, University of Kurdistan, Sanandaj (Iran, Islamic Republic of)

    2013-01-01

    Recently the teleparallel Lagrangian density described by the torsion scalar T has been extended to a function of T. The f(T) modified teleparallel gravity has been proposed as the natural gravitational alternative for dark energy to explain the late time acceleration of the universe. In order to reconstruct the function f(T) by demanding a background ΛCDM cosmology we assume that, (i) the background cosmic history provided by the flat ΛCDM (the radiation ere with ω{sub eff} = (1/3), matter and de Sitter eras with ω{sub eff} = 0 and ω{sub eff} = −1, respectively) (ii) the radiation dominate in the radiation era with Ω{sub 0r} = 1 and the matter dominate during the matter phases when Ω{sub 0m} = 1. We find the cosmological dynamical system which can obey the ΛCDM cosmic history. In each era, we find a critical lines that, the radiation dominated and the matter dominated are one points of them in the radiation and matter phases, respectively. Also, we drive the cosmologically viability condition for these models. We investigate the stability condition with respect to the homogeneous scalar perturbations in each era and we obtain the stability conditions for the fixed points in each eras. Finally, we reconstruct the function f(T) which mimics cosmic expansion history.

  11. FY17 Accomplishments - Testing Facilities and Capabilities at SWiFT, SNL

    Energy Technology Data Exchange (ETDEWEB)

    Berg, Jonathan Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-10-01

    The Scaled Wind Farm Technologies (SWiFT) facility operated by Sandia National Laboratories (SNL) has, in support of the Atmosphere to electrons (A2e) research program, acquired measurements of wind turbine wake dynamics under various atmospheric conditions and while interacting with a downstream wind turbine. SNL researchers, in collaboration with National Renewable Energy Laboratory (NREL) researchers, installed a customized LIDAR system created by the Technical University of Denmark (DTU) in one of the SWiFT wind turbines (Figure 1) and operated that turbine with intentional yaw-versus-winddirection misalignment to study the behavior of the turbine wake under numerous combinations of atmospheric conditions and turbine yaw offsets. The DTU-customized LIDAR provided detailed measurements of the wake’s shape and location at many distances downwind of the turbine (Figure 2). These measurements will benefit wind energy researchers looking to understand wind turbine wake behavior and improve modeling and simulation of wake dynamics, including the “wake steering” affect that is observed when turbine yaw offset is controlled. During the test campaign, two SWiFT wind turbines were operated at the same time to observe the influence of the turbines on each other as the wake of the upwind turbine was observed sweeping over and interacting with the downwind turbine.

  12. Monitoring wine aging with Fourier transform infrared spectroscopy (FT-IR

    Directory of Open Access Journals (Sweden)

    Basalekou Marianthi

    2015-01-01

    Full Text Available Oak wood has commonly been used in wine aging but recently other wood types such as Acacia and Chestnut, have attracted the interest of the researchers due to their possible positive contribution to wine quality. However, only the use of oak and chestnut woods is approved by the International Enological Codex of the International Organisation of Vine and Wine. In this study Fourier Transform (FT-mid-infrared spectroscopy combined with Discriminant Analysis was used to differentiate wines aged in barrels made from French oak, American oak, Acacia and Chestnut and in tanks with oak chips, over a period of 12 months. Two red (Mandilaria, Kotsifali and two white (Vilana, Dafni native Greek grape varieties where used to produce four wines. The Fourier Transform Infrared (FT-IR spectra of the samples were recorded on a Zinc Selenide (ZnSe window after incubation at 40 °C for 30 min. A complete differentiation of the samples according to both the type of wood used and the contact time was achieved based on their FT-IR spectra.

  13. Concepts for the assay of unbound thyroxine (FT4) and thyroxine binding globulin (TBG)

    International Nuclear Information System (INIS)

    Odstrchel, G.; Hertl, W.; Ward, F.B.; Travis, K.; Lindner, R.E.; Mason, R.D.

    1977-01-01

    Two new concepts for the assay of thyroid related substances are presented. One assay (FT 4 ) is based on a kinetic measurement of T 4 as it desorbs from binder proteins onto solid-phase T 4 antibody. This reaction can be described by a second order rate equation; r = k (IMA) (FT 4 ). The assay is rapid (2 hours) and gives good agreement (sigma = 0.92) with equilibrium dialysis and a normal range of 0.9 - 2.3 ng/dl. This assay uses a small sample size (25 μl) and is unaffected by drugs such as aspirin and dilantin. Pregnant and estrogen treated women gave normal FT 4 values. A new method for the measurement of functionally active TEG is also presented. In this case the labeled T 4 is partitioned between bovine serum albumin and the patient's samples. The complex is then removed from solution by solid-phase anti-TBG. A curve remiscent of an immunoradiometric assay is obtained. The assay has a sensitivity of 4 μg/ml and is unaffected by aspirin, dilantin or the patient's T 4 concentrations. Correlation with 'rocket' electrophoresis is 0.90. The normal range was 20 +- 7 μg/ml with pregnant women giving values greater than 30 μg/ml. Five hereditary deficient patients gave a value equivalent to zero TBG concentration. (orig.) [de

  14. Label-free differentiation of human pituitary adenomas by FT-IR spectroscopic imaging.

    Science.gov (United States)

    Steiner, Gerald; Mackenroth, Luisa; Geiger, Kathrin D; Stelling, Allison; Pinzer, Thomas; Uckermann, Ortrud; Sablinskas, Valdas; Schackert, Gabriele; Koch, Edmund; Kirsch, Matthias

    2012-05-01

    Fourier transform infrared (FT-IR) spectroscopic imaging has been used to characterize different types of pituitary gland tumors and normal pituitary tissue. Freshly resected tumor tissue from surgery was prepared as thin cryosections and examined by FT-IR spectroscopic imaging. Tissue types were discriminated via k-means cluster analysis and a supervised classification algorithm based on linear discriminant analysis. Spectral classification allowed us to discriminate between tumor and non-tumor cells, as well as between tumor cells that produce human growth hormone (hGH+) and tumor cells that do not produce that hormone (hGH-). The spectral classification was compared and contrasted with a histological PAS and orange G stained image. It was further shown that hGH+ pituitary tumor cells show stronger amide bands than tumor cells that do not produce hGH. This study demonstrates that FT-IR spectroscopic imaging can not only potentially serve as a fast and objective approach for discriminating pituitary gland tumors from normal tissue, but that it can also detect hGH-producing tumor cells.

  15. Single crystal preparation of CuO

    NARCIS (Netherlands)

    Pieters, Th.W.J.; Nedermeyer, J.

    Single crystals of CuO are prepared by means of sublimation in a closed quartz capsule at 900 °C. The crystals have dimensions of 5 × 2 × 0.2 mm. Doping of the CuO with a few percent In2O3 (1 to 5% In/In + Cu) was necessary for the growth of the crystals. The residue contained CuO-In2O3 spinel.

  16. Thermal conversion of Cu4O3 into CuO and Cu2O and the electrical properties of magnetron sputtered Cu4O3 thin films

    Science.gov (United States)

    Murali, Dhanya S.; Aryasomayajula, Subrahmanyam

    2018-03-01

    Among the three oxides of copper (CuO, Cu2O, and Cu4O3), Cu4O3 phase (paramelaconite is a natural, and very scarce mineral) is very difficult to synthesize. It contains copper in both + 1 and + 2 valence states, with an average composition Cu2 1+Cu2 2+O3. We have successfully synthesized Cu4O3 phase at room temperature (300 K) by reactive DC magnetron sputtering by controlling the oxygen flow rate (Murali and Subrahmanyam in J Phys D Appl Phys 49:375102, 2016). In the present communication, Cu4O3 thin films are converted to CuO phases by annealing in the air at 680 K and to Cu2O phase when annealed in argon at 720 K; these phase changes are confirmed by temperature-dependent Raman spectroscopy studies. Probably, this is the first report of the conversion of Cu4O3-CuO and Cu2O by thermal annealing. The temperature-dependent (300-200 K) electrical transport properties of Cu4O3 thin films show that the charge transport above 190 K follows Arrhenius-type behavior with activation energy of 0.14 eV. From photo-electron spectroscopy and electrical transport measurements of Cu4O3 thin films, a downward band bending is observed at the surface of the thin film, which shows its p-type semiconducting nature. The successful preparation of phase pure p-type semiconducting Cu4O3 could provide opportunities to further explore its potential applications.

  17. Punicalagin Green Functionalized Cu/Cu2O/ZnO/CuO Nanocomposite for Potential Electrochemical Transducer and Catalyst

    Science.gov (United States)

    Fuku, X.; Kaviyarasu, K.; Matinise, N.; Maaza, M.

    2016-09-01

    A novel ternary Punica granatum L-Cu/Cu2O/CuO/ZnO nanocomposite was successfully synthesised via green route. In this work, we demonstrate that the green synthesis of metal oxides is more viable and facile compare to other methods, i.e., physical and chemical routes while presenting a potential electrode for energy applications. The prepared nanocomposite was characterised by both microscopic and spectroscopic techniques. High-resolution scanning electron microscopy (HRSEM) and X-ray diffraction (XRD) techniques revealed different transitional phases with an average nanocrystallite size of 29-20 mm. It was observed that the nanocomposites changed from amorphous-slightly crystalline Cu/Cu2O to polycrystalline Cu/Cu2O/CuO/ZnO at different calcination temperatures (room temperature-RT- 600 °C). The Cu/Cu2O/ZnO/CuO metal oxides proved to be highly crystalline and showed irregularly distributed particles with different sizes. Meanwhile, Fourier transform infrared (FTIR) spectroscopy confirmed the purity while together with ultraviolet-visible (UV-Vis) spectroscopy proved the proposed mechanism of the synthesised nanocomposite. UV-Vis showed improved catalytic activity of the prepared metal oxides, evident by narrow band gap energy. The redox and electrochemical properties of the prepared nanocomposite were achieved by cyclic voltammetry (CV), electrochemical impedance (EIS) and galvanostatic charge-discharge (GCD). The maximum specific capacitance ( C s) was calculated to be 241 F g-1 at 50 mV s-1 for Cu/Cu2O/CuO/ZnO nanoplatelets structured electrode. Moreover, all the CuO nanostructures reveal better power performance, excellent rate as well as long term cycling stability. Such a study will encourages a new design for a wide spectrum of materials for smart electronic device applications.

  18. The effect of inducing uniform Cu growth on formation of electroless Cu seed layer

    International Nuclear Information System (INIS)

    Lim, Taeho; Kim, Myung Jun; Park, Kyung Ju; Kim, Kwang Hwan; Choe, Seunghoe; Lee, Young-Soo; Kim, Jae Jeong

    2014-01-01

    The uniformity of Cu growth on Pd nanocatalysts was controlled by using organic additives in the formation of electroless Cu seed layers. Polyethylene glycol (PEG, Mw. 8000) not only reduced the deposition rate but also improved the uniformity of Cu growth on each Pd nanocatalyst during the seed layer formation. The stronger suppression effect of PEG on Cu than on Pd reduced the difference in the deposition rate between the two surfaces, resulting in the uniform deposition. Meanwhile, bis(3-sulfopropyl) disulfide degraded the uniformity by strong and nonselective suppression. The sheet resistance measurement and atomic force microscopy imaging revealed that the uniform Cu growth by PEG was more advantageous for the formation of a thin and smooth Cu seed layer than the non-uniform growth. The uniform Cu growth also had a positive influence on the subsequent Cu electrodeposition: the 60-nm-thick electrodeposited Cu film on the Cu seed layer showed low resistivity (2.70 μΩ·cm), low surface roughness (6.98 nm), and good adhesion strength. - Highlights: • Uniform Cu growth on Pd was achieved in formation of electroless Cu seed layer. • PEG addition to electroless bath improved the uniformity of Cu growth on Pd. • A thin, smooth and continuous Cu seed layer was obtained with PEG. • Adhesion strength of the Cu seed layer was also improved with PEG. • The uniformity improvement positively affected subsequent Cu electrodeposition

  19. Preparation of Cu Nanoclusters within Dendrimer Templates

    National Research Council Canada - National Science Library

    Zhao, M

    1998-01-01

    ... (16-atom Cu cluster in G4 and 64-atom Cu cluster in G6 dendrimers). The clusters remain trapped within the dendrimers for extended periods of time, do not agglomerate, and do not precipitate. The clusters can also be oxidized to yield dendrimer-encapsulated Cu(2+).

  20. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.

    Science.gov (United States)

    Karabacak, Mehmet; Calisir, Zuhre; Kurt, Mustafa; Kose, Etem; Atac, Ahmet

    2016-01-15

    In this study, ethyl-6-chloronicotinate (E-6-ClN) molecule is recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1) (FT-IR, FT-Raman and dispersive Raman, respectively) in the solid phase. ((1))H and ((13))C nuclear magnetic resonance (NMR) spectra are recorded in DMSO solution. The structural and spectroscopic data of the molecule are obtained for two possible isomers (S1 and S2) from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule is fully optimized, vibrational spectra are calculated and fundamental vibrations are assigned on the basis of the potential energy distribution (PED) of the vibrational modes. ((1))H and ((13))C NMR chemical shifts are calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strengths, wavelengths, HOMO and LUMO energies, are performed by time-dependent density functional theory (TD-DFT). Total and partial density of state and overlap population density of state diagrams analysis are presented for E-6-ClN molecule. Furthermore, frontier molecular orbitals (FMO), molecular electrostatic potential, and thermodynamic features are performed. In addition to these, reduced density gradient of the molecule is performed and discussed. As a conclusion, the calculated results are compared with the experimental spectra of the title compound. The results of the calculations are applied to simulate the vibrational spectra of the molecule, which show excellent agreement with the observed ones. The theoretical and tentative results will give us a detailed description of the structural and physicochemical properties of the molecule. Natural bond orbital analysis is done to have more information stability of the molecule arising from charge delocalization, and to reveal the information regarding charge transfer within the molecules. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.

    Science.gov (United States)

    Krishnan, Akhil R; Saleem, H; Subashchandrabose, S; Sundaraganesan, N; Sebastain, S

    2011-02-01

    In this work, we will report a combined experimental and theoretical study on molecular structure, vibrational spectra, NBO and UV spectral analysis of 2-chlorobenzonitrile (2-ClBN). The FT-IR solid phase (4000-400 cm(-1)), and FT-Raman spectra (3500-50 cm(-1)) of 2-ClBN was recorded. The molecular geometry, harmonic vibrational frequencies and bonding features of 2-ClBN in the ground state have been calculated by using the density functional methods (BLYP, B3LYP) with 6-31G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The results show that charge in electron density (ED) in the σ* and π* anti bonding orbitals and E2 energies confirms the occurrence of ICT (Intra molecular Charge Transfer) within the molecule. The UV spectrum was measured in ethanol solution. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) results complements with the experimental findings. The calculated HOMO and LUMO energies also confirm that charge transfer occurs within the molecule. Finally calculated results were applied to simulated Infrared and Raman spectra of the title compound which show good agreement with observed spectra. Copyright © 2010 Elsevier B.V. All rights reserved.

  2. Spectroscopic [FT-IR and FT-Raman] and theoretical [UV-Visible and NMR] analysis on α-Methylstyrene by DFT calculations.

    Science.gov (United States)

    Karthikeyan, N; Joseph Prince, J; Ramalingam, S; Periandy, S

    2015-05-15

    In the present research work, the FT-IR, FT-Raman and (13)C and (1)H NMR spectra of the α-Methylstyrene were recorded. The observed fundamental frequencies in finger print as well as functional group regions were assigned according to their uniqueness region. The Gaussian computational calculations are carried out by HF and DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The impact of the presence of vinyl group in phenyl structure of the compound is investigated. The modified vibrational pattern of the molecule associated vinyl group was analyzed. Moreover, (13)C NMR and (1)H NMR were calculated by using the gauge independent atomic orbital (GIAO) method with B3LYP methods and the 6-311++G(d,p) basis set and their spectra were simulated and the chemical shifts linked to TMS were compared. A study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies were carried out. The kubo gap of the present compound was calculated related to HOMO and LUMO energies which confirm the occurring of charge transformation between the base and ligand. Besides frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) was performed. The NLO properties related to Polarizability and hyperpolarizability based on the finite-field approach were also discussed. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.

  3. Spectroscopic [FT-IR and FT-Raman] and molecular modeling (MM) study of benzene sulfonamide molecule using quantum chemical calculations

    Science.gov (United States)

    Vinod, K. S.; Periandy, S.; Govindarajan, M.

    2016-07-01

    The spectroscopic and molecular modeling (MM) study includes, FT-IR, FT-Raman and 13C NMR and 1H NMR spectra of the Benzene sulfonamide were recorded for the analysis. The observed experimental and theoretical frequencies (IR and Raman) were assigned according to their distinctive region. The present study of this title molecule have been carried out by hybrid computational calculations of HF and DFT (B3LYP) methods with 6-311+G(d,p) and 6-311++G(d,p) basis sets and the corresponding results are tabulated. The structural modifications of the compound due to the substitutions of NH2 and SO2 were investigated. The minimum energy conformers of the compound were studied using conformational analysis. The alternations of the vibrational pattern of the base structure related to the substitutions were analyzed. The thermodynamic parameters (such as zero-point vibrational energy, thermal energy, specific heat capacity, rotational constants, entropy, and dipole moment) of Benzene sulfonamide have been calculated. The donor acceptor interactions of the compound and the corresponding UV transitions are found out using NBO analysis. The NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method with B3LYP methods and the 6-311++G(d,p) basis set and their spectra were simulated and the chemical shifts related to TMS were compared. A quantum computational study on the electronic and optical properties absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by HF and DFT methods. The energy gap of the present compound was calculated related to HOMO and LUMO energies which confirm the occurring of charge transformation between the base and ligand group. Besides frontier molecular orbitals (FMO), molecular electrostatic potential (MEP) was performed. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase and

  4. A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde.

    Science.gov (United States)

    Prasad, M V S; Udaya Sri, N; Veeraiah, V

    2015-09-05

    In the present study, the FT-IR and FT-Raman spectra of 2-chloro-3-quinolinecarboxaldehyde (2Cl3QC) have been recorded in the region 4000-400 and 3500-50 cm(-1), respectively. The fundamental modes of vibrational frequencies of 2Cl3QC are assigned. Theoretical information on the optimized geometry, harmonic vibrational frequencies, infrared and Raman intensities were obtained by means of density functional theory (DFT) gradient calculations with complete relaxation in the potential energy surface using 6-31G(d,p) basis set. The vibrational frequencies which were determined experimentally from the spectral data are compared with those obtained theoretically from DFT calculations. A close agreement was achieved between the observed and calculated frequencies by refinement of the scale factors. The infrared and Raman spectra were also predicted from the calculated intensities. Thermodynamic properties like entropy, heat capacity, zero point energy, have been calculated for the molecule. The predicted first hyperpolarizability also shows that the molecule might have a reasonably good non-linear optical (NLO) behavior. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the molecule. Stability of the molecule arising from hyper conjugative interactions, charge delocalization have been analyzed using natural bond orbitals (NBO) analysis. The results show that charge in electron density (ED) in the π(∗) antibonding orbitals and E((2)) energies confirms the occurrence of ICT (intra-molecular charge transfer) within the molecule. UV-visible spectrum of the title molecule has also been calculated using TD-DFT/CAM-B3LYP/6-31G(d,p) method. The calculated energy and oscillator strength almost exactly reproduces reported experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Spectroscopic (FT-IR, FT-Raman, UV, NMR, NLO) investigation, molecular docking and molecular simulation dynamics on 1-Methyl-3-Phenylpiperazine

    Science.gov (United States)

    Subashini, K.; Periandy, S.

    2017-09-01

    The title compound was analyzed, by recording FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) spectra in solid phase, 1H and 13C NMR in CDCl3 (deuterated chloroform) and UV spectrum (200-400 nm) in solid phase and in ethanol solution. Conformational analysis was done using semi-empirical method PM6. The computed wavenumbers obtained from B3LYP and B3PW91 functionals along with 6-311++G (d, p) basis sets were scaled so as to agree with the experimental values and the scaling factors have been reported. All fundamental modes have been assigned based on the potential energy distribution (PED) values and the structure of the molecule was analyzed in terms of parameters like bond length, bond angle and dihedral angles through B3LYP and B3PW91 functionals along with 6-311++G(d,p) basis set. The observed HOMO-LUMO mappings reveal the different charge transfer possibilities within the molecule. The percentage contribution of a group to each molecular orbital was calculated using Gauss Sum program. Natural bond orbital analysis was computed and possible transition were correlated with the electronic transitions. Mulliken charges, electrostatic potential charges and natural charges are also predicted. The theoretical 1H and 13C NMR chemical shifts were computed using B3LYP functionals using 6-311++G (2d, p) basis sets. The temperature dependence of the thermodynamic properties; heat capacity, entropy and enthalpy for the title compound were also determined by B3LYP functional with 6-311++G (d, p) basis set. Molecular docking study shows that the title compound might exhibit inhibitory activity against Clostridium botulinum (2J3X). The interaction of the ligand (title molecule) with 2J3X for 2 ns duration and radial distribution function have been observed through molecular dynamics simulations.

  6. Conformational stability, spectroscopic (FT-IR, FT-Raman and UV-Vis) analysis, NLO, NBO, FMO and Fukui function analysis of 4-hexylacetophenone by density functional theory.

    Science.gov (United States)

    Saravanan, S; Balachandran, V

    2015-03-05

    The experimental and theoretical study on the structures and vibrations of 4-hexylacetophenone (abbreviated as 4HAP) are presented. The FT-IR and FT-Raman spectra of the title compound have been recorded in the region 4000-400cm(-1) and 3500-100cm(-1) respectively. The molecular structures, vibrational wavenumbers, infrared intensities and Raman activities were calculated using DFT (B3LYP and LSDA) method with 6-311++G(d,p) basis set. The most stable conformer of 4HAP is identified from the computational results. The assignments of the vibrational spectra have been carried out with the aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMEF). The linear polarizability (α) and the first hyperpolarizability (βtot) values of the investigated molecule have been computed using B3LYP and LSDA with 6-311++G(d,p) basis set. Stability of the molecule arising from hyper conjugative interaction and charge transfer delocalization has been analyzed using natural bond orbital (NBO) analysis. The molecule orbital contributions are studied by density of energy states (DOSs). UV-Vis spectrum and effects of solvents have been discussed effects of solvents have been discussed and the electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT approach. Fukui function and Mulliken analysis on atomic charges of the title compound have been calculated. Finally, electrophilic and nucleophilic descriptors of the title molecule have been calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. FT-IR, FT-Raman, UV-visible, and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol.

    Science.gov (United States)

    Chain, Fernando E; Leyton, Patricio; Paipa, Carolina; Fortuna, Mario; Brandán, Silvia A

    2015-03-05

    In this work, FT-IR, FT-Raman, UV-Visible and NMR spectroscopies and density functional theory (DFT) calculations were employed to study the structural and vibrational properties of the labdane-type diterpene 13-epi-sclareol using the hybrid B3LYP method together with the 6-31G(∗) basis set. Three stable structures with minimum energy found on the potential energy curves (PES) were optimized, and the corresponding molecular electrostatic potentials, atomic charges, bond orders, stabilization energies and topological properties were computed at the same approximation level. The complete assignment of the bands observed in the vibrational spectrum of 13-epi-sclareol was performed taking into account the internal symmetry coordinates for the three structures using the scaled quantum mechanical force field (SQMFF) methodology at the same level of theory. In addition, the force constants were calculated and compared with those reported in the literature for similar compounds. The predicted vibrational spectrum and the calculated (1)H NMR and (13)C NMR chemical shifts are in good agreement with the corresponding experimental results. The theoretical UV-Vis spectra for the most stable structure of 13-epi-sclareol demonstrate a better correlation with the corresponding experimental spectrum. The study of the three conformers by means of the theory of atoms in molecules (AIM) revealed different H bond interactions and a strong dependence of the interactions on the distance between the involved atoms. Furthermore, the natural bond orbital (NBO) calculations showed the characteristics of the electronic delocalization for the two six-membered rings with chair conformations. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Conformational analysis, spectroscopic study (FT-IR, FT-Raman, UV, 1H and 13C NMR), molecular orbital energy and NLO properties of 5-iodosalicylic acid.

    Science.gov (United States)

    Karaca, Caglar; Atac, Ahmet; Karabacak, Mehmet

    2015-02-05

    In this study, 5-iodosalicylic acid (5-ISA, C7H5IO3) is structurally characterized by FT-IR, FT-Raman, NMR and UV spectroscopies. There are eight conformers, Cn, n=1-8 for this molecule therefore the molecular geometry for these eight conformers in the ground state are calculated by using the ab-initio density functional theory (DFT) B3LYP method approach with the aug-cc-pVDZ-PP basis set for iodine and the aug-cc-pVDZ basis set for the other elements. The computational results identified that the most stable conformer of 5-ISA is the C1 form. The vibrational spectra are calculated DFT method invoking the same basis sets and fundamental vibrations are assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method with PQS program. Total density of state (TDOS) and partial density of state (PDOS) and also overlap population density of state (COOP or OPDOS) diagrams analysis for C1 conformer were calculated using the same method. The energy and oscillator strength are calculated by time-dependent density functional theory (TD-DFT) results complement with the experimental findings. Besides, charge transfer occurring in the molecule between HOMO and LUMO energies, frontier energy gap, molecular electrostatic potential (MEP) are calculated and presented. The NMR chemical shifts ((1)H and (13)C) spectra are recorded and calculated using the gauge independent atomic orbital (GIAO) method. Mulliken atomic charges of the title molecule are also calculated, interpreted and compared with salicylic acid. The optimized bond lengths, bond angles and calculated NMR and UV, vibrational wavenumbers showed the best agreement with the experimental results. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. An improved FT-TIMS method of measuring uranium isotope ratios in the uranium-bearing particles

    International Nuclear Information System (INIS)

    Chen, Yan; Wang, Fan; Zhao, Yong-Gang; Li, Li-Li; Zhang, Yan; Shen, Yan; Chang, Zhi-Yuan; Guo, Shi-Lun; Wang, Xiao-Ming; Cui, Jian-Yong; Liu, Yu-Ang

    2015-01-01

    An improved method of Fission Track technique combined with Thermal Ionization Mass Spectrometry (FT-TIMS) was established in order to determine isotope ratio of uranium-bearing particle. Working standard of uranium oxide particles with a defined diameter and isotopic composition were prepared and used to review the method. Results showed an excellent agreement with certified values. The developed method was used to analyze isotope ratio of single uranium-bearing particle in swipe samples successfully. The analysis results of uranium-bearing particles in swipe samples accorded with the operation history of the origin. - Highlights: • The developed method was successfully applied in the analysis of real swipe sample. • Uranium-bearing particles were confined in the middle of track detector. • The fission tracks of collodion film and PC film could be confirmed each other. • The thickness of collodion film should be no more than about 60 μm. • The method could avoid losing uranium-bearing particles in the etching step.

  10. Growth of intermetallics between Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layered structures

    International Nuclear Information System (INIS)

    Horváth, Barbara; Illés, Balázs; Shinohara, Tadashi

    2014-01-01

    Intermetallic growth mechanisms and rates are investigated in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. An 8–10 μm thick Sn surface finish layer was electroplated onto a Cu substrate with a 1.5–2 μm thick Ni or Ag barrier layer. In order to induce intermetallic layer growth, the samples were aged in elevated temperatures: 50 °C and 125 °C. Intermetallic layer growth was checked by focused ion beam–scanning ion microscope. The microstructures and chemical compositions of the intermetallic layers were observed with a transmission electron microscope. It has been found that Ni barrier layers can effectively block the development of Cu 6 Sn 5 intermetallics. The intermetallic growth characteristics in the Sn/Cu and Sn/Ni/Cu systems are very similar. The intermetallic layer grows towards the Sn layer and forms a discrete layer. Differences were observed only in the growth gradients and surface roughness of the intermetallic layer which may explain the different tin whiskering properties. It was observed that the intermetallic layer growth mechanisms are completely different in the Ag barrier layers compared to the Ni layers. In the case of Sn/Ag/Cu systems, the Sn and Cu diffused through the Ag layer, formed Cu 6 Sn 5 intermetallics mainly at the Sn/Ag interface and consumed the Ag barrier layer. - Highlights: • Intermetallic growth was characterised in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. • Intermetallic growth rates and roughness are similar in the Sn/Cu and Sn/Ni/Cu systems. • Sn/Ni/Cu system contains the following intermetallic layer structure Sn–Ni3Sn4–Ni3Sn2–Ni3Sn–Ni. • In the case of Sn/Ag/Cu systems the Sn and Cu diffusion consumes the Ag barrier layer. • When Cu reaches the Sn/Ag interface a large amount of Cu 6 Sn 5 forms above the Ag layer

  11. Drift and transmission FT-IR spectroscopy of forest soils: an approach to determine decomposition processes of forest litter

    International Nuclear Information System (INIS)

    Haberhauer, G.; Gerzabek, M.H.

    1999-06-01

    A method is described to characterize organic soil layers using Fourier transformed infrared spectroscopy. The applicability of FT-IR, either dispersive or transmission, to investigate decomposition processes of spruce litter in soil originating from three different forest sites in two climatic regions was studied. Spectral information of transmission and diffuse reflection FT-IR spectra was analyzed and compared. For data evaluation Kubelka Munk (KM) transformation was applied to the DRIFT spectra. Sample preparation for DRIFT is simpler and less time consuming in comparison to transmission FT-IR, which uses KBr pellets. A variety of bands characteristics of molecular structures and functional groups has been identified for these complex samples. Analysis of both transmission FT-IR and DRIFT, showed that the intensity of distinct bands is a measure of the decomposition of forest litter. Interferences due to water adsorption spectra were reduced by DRIFT measurement in comparison to transmission FT-IR spectroscopy. However, data analysis revealed that intensity changes of several bands of DRIFT and transmission FT-IR were significantly correlated with soil horizons. The application of regression models enables identification and differentiation of organic forest soil horizons and allows to determine the decomposition status of soil organic matter in distinct layers. On the basis of the data presented in this study, it may be concluded that FT-IR spectroscopy is a powerful tool for the investigation of decomposition dynamics in forest soils. (author)

  12. High-definition Fourier Transform Infrared (FT-IR) Spectroscopic Imaging of Human Tissue Sections towards Improving Pathology

    Science.gov (United States)

    Nguyen, Peter L.; Davidson, Bennett; Akkina, Sanjeev; Guzman, Grace; Setty, Suman; Kajdacsy-Balla, Andre; Walsh, Michael J.

    2015-01-01

    High-definition Fourier Transform Infrared (FT-IR) spectroscopic imaging is an emerging approach to obtain detailed images that have associated biochemical information. FT-IR imaging of tissue is based on the principle that different regions of the mid-infrared are absorbed by different chemical bonds (e.g., C=O, C-H, N-H) within cells or tissue that can then be related to the presence and composition of biomolecules (e.g., lipids, DNA, glycogen, protein, collagen). In an FT-IR image, every pixel within the image comprises an entire Infrared (IR) spectrum that can give information on the biochemical status of the cells that can then be exploited for cell-type or disease-type classification. In this paper, we show: how to obtain IR images from human tissues using an FT-IR system, how to modify existing instrumentation to allow for high-definition imaging capabilities, and how to visualize FT-IR images. We then present some applications of FT-IR for pathology using the liver and kidney as examples. FT-IR imaging holds exciting applications in providing a novel route to obtain biochemical information from cells and tissue in an entirely label-free non-perturbing route towards giving new insight into biomolecular changes as part of disease processes. Additionally, this biochemical information can potentially allow for objective and automated analysis of certain aspects of disease diagnosis. PMID:25650759

  13. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

    Science.gov (United States)

    Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

    2017-03-05

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Urea, Uric Acid, Prolactin and fT4 Concentrations in Aqueous Humor of Keratoconus Patients.

    Science.gov (United States)

    Stachon, Tanja; Stachon, Axel; Hartmann, Ulrike; Seitz, Berthold; Langenbucher, Achim; Szentmáry, Nóra

    2017-06-01

    Keratoconus is a noninflammatory disease of the cornea associated with progressive thinning and conical shape. Metabolic alterations in the urea cycle, with changes in collagen fibril stability, oxidative stress, thyroid hormones and prolactin with regulatory effect on biosynthesis and biomechanical stability of corneal stroma, may all play a role in keratoconus etiology. Our purpose was to determine urea, uric acid, prolactin and free thyroxin (fT4) concentrations in human aqueous humor (hAH) of keratoconus and cataract patients. hAH was collected from 100 keratoconus (penetrating keratoplasty) (41.9 ± 14.9 years, 69 males) and 100 cataract patients (cataract surgery) (71.2 ± 12.4 years, 58 males). Urea, uric acid, prolactin and fT4 concentrations were measured by Siemens clinical chemistry or immunoassay system. For statistical analysis, a generalized linear model (GLM) was used. Urea concentration was 11.88 ± 3.03 mg/dl in keratoconus and 16.44 ± 6.40 mg/dl in cataract patients, uric acid 2.04 ± 0.59 mg/dl in keratoconus and 2.18 ± 0.73 mg/dl in cataract groups. Prolactin concentration was 3.18 ± 0.34 ng/ml in keratoconus and 3.33 ± 0.32 ng/ml in cataract patients, fT4 20.57 ± 4.76 pmol/l in KC and 19.06 ± 3.86 pmol/l in cataract group. Urea concentration was effected through gender (p = 0.039), age (p = 0.001) and diagnosis (p = 0.025). Uric acid concentration was not effected through any of the analyzed parameters (p > 0.056). Prolactin and fT4 concentration were effected only through diagnosis (p = 0.009 and p = 0.006). Urea and prolactin concentrations are decreased, fT4 concentration is increased in aqueous humor of keratoconus patients, and uric acid concentration remains unchanged. Urea concentration in aqueous humor is also increased in older and male patients. Therefore, metabolic disorder and hormonal balance may both have an impact on keratoconus development. Further studies are necessary to assess the specific impact.

  15. Visible-light photocatalytic decolorization of reactive brilliant red X-3B on Cu{sub 2}O/crosslinked-chitosan nanocomposites prepared via one step process

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Chunhua [College of Resource and Environmental Science, Wuhan University, Wuhan 430072 (China); Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, College of Chemical and Environmental Engineering, Jianghan University, Wuhan 430056 (China); Xiao, Ling, E-mail: xiaoling9119@yahoo.cn [College of Resource and Environmental Science, Wuhan University, Wuhan 430072 (China); Liu, Li; Zhu, Huayue [College of Resource and Environmental Science, Wuhan University, Wuhan 430072 (China); Chen, Chunhua; Gao, Lin [Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, College of Chemical and Environmental Engineering, Jianghan University, Wuhan 430056 (China)

    2013-04-15

    Cu{sub 2}O/crosslinked-chitosan nanocomposites (Cu{sub 2}O/CS NCs) were in situ prepared via a simple one-step liquid phase precipitation–reduction process and characterized by XRD, FT-IR, SEM, TEM, BET, XPS and UV–vis/DRS. The characterization results showed that Cu{sub 2}O/CS NCs were almost similar spherical or ellipsoidal and the surface was rough and porous because Cu{sub 2}O particle was wrapped in chitosan. The chitosan layer was especially favorable for improving the adsorption ability of dye and molecular oxygen and restraining the recombination of electrons–holes pair. The visible-light photocatalytic decolorization behavior on Cu{sub 2}O/CS NCs was evaluated using reactive brilliant red X-3B (X-3B) as a model pollutant. The influences of various experimental factors on X-3B decolorization were investigated. It was found that the photocatalytic decolorization process on Cu{sub 2}O/CS NCs followed apparent pseudo-first-order kinetics model. The dye X-3B could be decolorized more efficiently in acidic media than in alkaline media. Cu{sub 2}O/CS NCs exhibited enhanced visible-light photocatalytic activity compared with other photocatalysts reported before under similar experimental conditions.

  16. Aging Studies of Cu-Sn Intermetallics in Cu Micropillars Used in Flip Chip Attachment onto Cu Lead Frames

    Science.gov (United States)

    Roma, Maria Penafrancia C.; Kudtarkar, Santosh; Kierse, Oliver; Sengupta, Dipak; Cho, Junghyun

    2018-02-01

    Copper micropillars plated onto a silicon die and soldered with Sn-Ag solder to a copper lead frame in a flip chip on lead package have been subjected to high-temperature storage at 150°C and 175°C for 500 h, 1000 h, and 1500 h. Cu6Sn5 and Cu3Sn intermetallic compounds were found on both sides of the solder, but the growth rates were not the same as evidenced by different values of the growth exponent n. Cu and Sn diffusion controlled the Cu3Sn growth in the Cu pillar interface ( n ≈ 0.5), while interface reactions controlled the growth in the Cu lead frame interface ( n ≈ 0.8). Increasing the aging temperature increased the growth of Cu3Sn as well as the presence of microvoids in the Cu lead frame side. Adding Ni as a barrier layer on the Cu pillar prevented the growth of Cu3Sn in the Cu pillar interface and reduced its growth rate on the lead frame side, even at higher aging temperatures.

  17. Synthesis of Cu2O, CuCl, and Cu2OCl2 nanoparticles by ultrafast ...

    Indian Academy of Sciences (India)

    2014-02-13

    Feb 13, 2014 ... 800 nm and ∼2 ps laser pulses. Cu2O NPs exhibited two-photon absorption at lower peak intensities while three-photon absorption was observed at higher peak intensities. Other samples exhibited two-photon absorption at all peak intensities. Keywords. Picosecond; laser ablation; copper complex; ...

  18. Synthesis of Cu 2 O, CuCl, and Cu2OCl 2 nanoparticles by ultrafast ...

    Indian Academy of Sciences (India)

    2014-02-13

    Feb 13, 2014 ... We have also performed nonlinear optical studies of colloidal nanoparticles using Z-scan technique at 800 nm and ∼2 ps laser pulses. Cu2O NPs exhibited two-photon absorption at lower peak intensities while three-photon absorption was observed at higher peak intensities. Other samples exhibited ...

  19. Synthesis of Cu2O, CuCl, and Cu2OCl2 nanoparticles by ultrafast ...

    Indian Academy of Sciences (India)

    2014-02-13

    Feb 13, 2014 ... combined with the highest degree of occupation and safety since fabricated NPs will be in colloidal form. Moreover ... crystal planes. Figure 1d represents the EDAX spectrum of CL-2 and spectrum demon- strates the presence of Cu and chloride peaks. Inset of figure 1d (top part) represents the UV–Vis ...

  20. Communications standards

    CERN Document Server

    Stokes, A V

    1986-01-01

    Communications Standards deals with the standardization of computer communication networks. This book examines the types of local area networks (LANs) that have been developed and looks at some of the relevant protocols in more detail. The work of Project 802 is briefly discussed, along with a protocol which has developed from one of the LAN standards and is now a de facto standard in one particular area, namely the Manufacturing Automation Protocol (MAP). Factors that affect the usage of networks, such as network management and security, are also considered. This book is divided into three se

  1. Improved quantification of important beer quality parameters based on nonlinear calibration methods applied to FT-MIR spectra.

    Science.gov (United States)

    Cernuda, Carlos; Lughofer, Edwin; Klein, Helmut; Forster, Clemens; Pawliczek, Marcin; Brandstetter, Markus

    2017-01-01

    During the production process of beer, it is of utmost importance to guarantee a high consistency of the beer quality. For instance, the bitterness is an essential quality parameter which has to be controlled within the specifications at the beginning of the production process in the unfermented beer (wort) as well as in final products such as beer and beer mix beverages. Nowadays, analytical techniques for quality control in beer production are mainly based on manual supervision, i.e., samples are taken from the process and analyzed in the laboratory. This typically requires significant lab technicians efforts for only a small fraction of samples to be analyzed, which leads to significant costs for beer breweries and companies. Fourier transform mid-infrared (FT-MIR) spectroscopy was used in combination with nonlinear multivariate calibration techniques to overcome (i) the time consuming off-line analyses in beer production and (ii) already known limitations of standard linear chemometric methods, like partial least squares (PLS), for important quality parameters Speers et al. (J I Brewing. 2003;109(3):229-235), Zhang et al. (J I Brewing. 2012;118(4):361-367) such as bitterness, citric acid, total acids, free amino nitrogen, final attenuation, or foam stability. The calibration models are established with enhanced nonlinear techniques based (i) on a new piece-wise linear version of PLS by employing fuzzy rules for local partitioning the latent variable space and (ii) on extensions of support vector regression variants (-PLSSVR and ν-PLSSVR), for overcoming high computation times in high-dimensional problems and time-intensive and inappropriate settings of the kernel parameters. Furthermore, we introduce a new model selection scheme based on bagged ensembles in order to improve robustness and thus predictive quality of the final models. The approaches are tested on real-world calibration data sets for wort and beer mix beverages, and successfully compared to

  2. Influence of Cu content on the cell biocompatibility of Ti–Cu sintered alloys

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Erlin, E-mail: zhangel@atm.neu.edu.cn [Key Lab. for Anisotropy and Texture of Materials, Education Ministry of China, Northeastern University, Shenyang 110819 (China); Jiamusi University, Jiamusi 154007 (China); Zheng, Lanlan [Jiamusi University, Jiamusi 154007 (China); Liu, Jie [Key Lab. for Anisotropy and Texture of Materials, Education Ministry of China, Northeastern University, Shenyang 110819 (China); Dept. of Prosthodontics, The Affiliated Hospital of Medical College, Qingdao University, Qingdao 266003 (China); Bai, Bing [Dept. of Prosthodontics, School of Stomatology, China Medical University, Liaoning Institute of Dental Research, Shenyang 110001 (China); Liu, Cong [Jiamusi University, Jiamusi 154007 (China)

    2015-01-01

    The cell toxicity and the cell function of Ti–Cu sintered alloys with different Cu contents (2, 5, 10 and 25 wt.%, respectively) have been investigated in comparison with commercial pure titanium in order to assess the influence of Cu content on the cell biocompatibility of the Ti–Cu alloys. The cytotoxicity was studied by examining the MG63 cell response by CCK8 assessment. The cell morphology was evaluated by acridine orange/ethidium bromide (AO/EB) fluorescence and observed under scanning electronic microscopy (SEM). The cell function was monitored by measuring the AKP activity. It has been shown by the AO/EB morphology results that the cell death on both cp-Ti sample and Ti–Cu samples is due to apoptosis rather than necrosis. Although more apoptotic cells were found on the Ti–2Cu and Ti–5Cu samples, no evidence of Cu content dependent manner of apoptosis has been found. SEM observation indicated very good cell adhesion and spread on the cp-Ti sample and the Ti–Cu samples with different Cu contents. CCK8 results displayed that increase in the Cu content in Ti–Cu alloys does not bring about any difference in the cell viability. In addition, AKP test results indicated that no difference in the differentiation of MG63 was found between the cp-Ti and the Ti–Cu samples and among the Ti–Cu samples. All results indicated that Ti–Cu alloys exhibit very good cell biocompatibility and the Cu content up to 25 wt.% in the Ti–Cu alloys has no influence on the cell proliferation and differentiation. - Highlights: • The effect of Cu content on the cell biocompatibility has been investigated. • Cu content shows no influence on the cell proliferation. • Cu content shows no effect on the cell differentiation.

  3. Influence of Cu content on the cell biocompatibility of Ti–Cu sintered alloys

    International Nuclear Information System (INIS)

    Zhang, Erlin; Zheng, Lanlan; Liu, Jie; Bai, Bing; Liu, Cong

    2015-01-01

    The cell toxicity and the cell function of Ti–Cu sintered alloys with different Cu contents (2, 5, 10 and 25 wt.%, respectively) have been investigated in comparison with commercial pure titanium in order to assess the influence of Cu content on the cell biocompatibility of the Ti–Cu alloys. The cytotoxicity was studied by examining the MG63 cell response by CCK8 assessment. The cell morphology was evaluated by acridine orange/ethidium bromide (AO/EB) fluorescence and observed under scanning electronic microscopy (SEM). The cell function was monitored by measuring the AKP activity. It has been shown by the AO/EB morphology results that the cell death on both cp-Ti sample and Ti–Cu samples is due to apoptosis rather than necrosis. Although more apoptotic cells were found on the Ti–2Cu and Ti–5Cu samples, no evidence of Cu content dependent manner of apoptosis has been found. SEM observation indicated very good cell adhesion and spread on the cp-Ti sample and the Ti–Cu samples with different Cu contents. CCK8 results displayed that increase in the Cu content in Ti–Cu alloys does not bring about any difference in the cell viability. In addition, AKP test results indicated that no difference in the differentiation of MG63 was found between the cp-Ti and the Ti–Cu samples and among the Ti–Cu samples. All results indicated that Ti–Cu alloys exhibit very good cell biocompatibility and the Cu content up to 25 wt.% in the Ti–Cu alloys has no influence on the cell proliferation and differentiation. - Highlights: • The effect of Cu content on the cell biocompatibility has been investigated. • Cu content shows no influence on the cell proliferation. • Cu content shows no effect on the cell differentiation

  4. Fabrication and structural investigation of pulse-plating Co-Cu/Cu multilayers on Ti

    International Nuclear Information System (INIS)

    Kazeminezhad, I.; Zakerin, M.; Parham, H.

    2006-01-01

    Electrodeposited Co-Cu/Cu multilayers were prepared from a bath of CuSo 4 and CoSo 4 in presence of H 3 BO 3 on Ti polycrystalline substrates. Their structures were studied using a high-angle X-ray diffractometer. The existence of satellite peaks in the spectrum indicates a sharp interface between the double layers of Cu and Co-Cu. The surface properties of the samples were also investigated by scanning electron microscope.

  5. Spectroscopic investigation on the chemical forms of Cu during the synthesis of zeolite X at low temperature

    International Nuclear Information System (INIS)

    Terzano, Roberto; Spagnuolo, Matteo; Medici, Luca; Tateo, Fabio; Vekemans, Bart; Janssens, Koen; Ruggiero, Pacifico

    2006-01-01

    The direct synthesis of zeolites in polluted soils has proved to be a promising process for the stabilization of metals inside these minerals. Nevertheless, more detailed information about this process is still needed in order to better foresee the fate of metals in treated soils. In this work, zeolite X has been synthesized under alkaline conditions in an aqueous solution containing 2500 mg kg -1 of Cu, starting from Na silicate and Al hydroxide at 60 deg. C. Aluminium, Si and Cu concentrations in the aqueous phase, during zeolite synthesis, were measured over a period of 160 h. The solid products have been characterized over time by XRD, SEM-EDX, ESR, FT-IR, and synchrotron radiation X-ray microbeam absorption near edge structure (μ-XANES) and extended X-ray absorption fine structure (μ-EXAFS) spectroscopy. It appears that the marked reduction of Cu concentration in solution is not only due to a simple precipitation effect, but also to processes connected with the formation of zeolite X which could entrap, inside its porous structure, nano- or micro-occlusions of precipitated Cu hydroxides and/or oxides. In addition, EXAFS observations strengthen the hypothesis of the presence of different Cu phases even at a short-range molecular level and suggest that some of these occlusions could be even bound to the zeolite framework. The results suggest that zeolite formation could be used to reduce the availability of metals in polluted soils

  6. Highly charged swelling mica reduces Cu bioavailability in Cu-contaminated soils

    International Nuclear Information System (INIS)

    Stuckey, Jason W.; Neaman, Alexander; Ravella, Ramesh; Komarneni, Sridhar; Martinez, Carmen Enid

    2009-01-01

    This is the first test of a highly charged swelling mica's (Na-2-mica) ability to reduce the plant-absorbed Cu in Cu-contaminated soils from Chile. Perennial ryegrass (Lolium perenne L.) was grown in two acid soils (Sector 2: pH 4.2, total Cu = 172 mg Cu kg -1 and Sector 3: pH 4.2, total Cu = 112 mg Cu kg -1 ) amended with 0.5% and 1% (w/w) mica, and 1% (w/w) montmorillonite. At 10 weeks of growth, both mica treatments decreased the shoot Cu of ryegrass grown in Sector 2 producing shoot Cu concentrations above 21-22 mg Cu kg -1 (the phytotoxicity threshold for that species), yet the mica treatments did not reduce shoot Cu concentrations when grown in Sector 3, which were at a typical level. The mica treatments improved shoot growth in Sector 3 by reducing free and extractable Cu to low enough levels where other nutrients could compete for plant absorption and translocation. In addition, the mica treatments improved root growth in both soils, and the 1% mica treatment reduced root Cu in both soils. This swelling mica warrants further testing of its ability to assist re-vegetation and reduce Cu bioavailability in Cu-contaminated surface soils. - In situ remediation of Cu-contaminated soils with a synthetic mica (Na-2-mica) will aid in re-vegetative efforts

  7. Highly charged swelling mica reduces Cu bioavailability in Cu-contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Stuckey, Jason W. [Department of Crop and Soil Sciences, Pennsylvania State University, 116 ASI Building, University Park, PA 16802 (United States); Neaman, Alexander [Facultad de Agronomia, P. Universidad Catolica de Valparaiso, Centro Regional de Estudios en Alimentos Saludables (Chile); Ravella, Ramesh; Komarneni, Sridhar [Department of Crop and Soil Sciences, Pennsylvania State University, 116 ASI Building, University Park, PA 16802 (United States); Martinez, Carmen Enid [Department of Crop and Soil Sciences, Pennsylvania State University, 116 ASI Building, University Park, PA 16802 (United States)], E-mail: cem17@psu.edu

    2009-01-15

    This is the first test of a highly charged swelling mica's (Na-2-mica) ability to reduce the plant-absorbed Cu in Cu-contaminated soils from Chile. Perennial ryegrass (Lolium perenne L.) was grown in two acid soils (Sector 2: pH 4.2, total Cu = 172 mg Cu kg{sup -1} and Sector 3: pH 4.2, total Cu = 112 mg Cu kg{sup -1}) amended with 0.5% and 1% (w/w) mica, and 1% (w/w) montmorillonite. At 10 weeks of growth, both mica treatments decreased the shoot Cu of ryegrass grown in Sector 2 producing shoot Cu concentrations above 21-22 mg Cu kg{sup -1} (the phytotoxicity threshold for that species), yet the mica treatments did not reduce shoot Cu concentrations when grown in Sector 3, which were at a typical level. The mica treatments improved shoot growth in Sector 3 by reducing free and extractable Cu to low enough levels where other nutrients could compete for plant absorption and translocation. In addition, the mica treatments improved root growth in both soils, and the 1% mica treatment reduced root Cu in both soils. This swelling mica warrants further testing of its ability to assist re-vegetation and reduce Cu bioavailability in Cu-contaminated surface soils. - In situ remediation of Cu-contaminated soils with a synthetic mica (Na-2-mica) will aid in re-vegetative efforts.

  8. Stability enhancement of Cu2S against Cu vacancy formation by Ag alloying

    Science.gov (United States)

    Barman, Sajib K.; Huda, Muhammad N.

    2018-04-01

    As a potential solar absorber material, Cu2S has proved its importance in the field of renewable energy. However, almost all the known minerals of Cu2S suffer from spontaneous Cu vacancy formation in the structure. The Cu vacancy formation causes the structure to possess very high p-type doping that leads the material to behave as a degenerate semiconductor. This vacancy formation tendency is a major obstacle for this material in this regard. A relatively new predicted phase of Cu2S which has an acanthite-like structure was found to be preferable than the well-known low chalcocite Cu2S. However, the Cu-vacancy formation tendency in this phase remained similar. We have found that alloying silver with this structure can help to reduce Cu vacancy formation tendency without altering its electronic property. The band gap of silver alloyed structure is higher than pristine acanthite Cu2S. In addition, Cu diffusion in the structure can be reduced with Ag doped in Cu sites. In this study, a systematic approach is presented within the density functional theory framework to study Cu vacancy formation tendency and diffusion in silver alloyed acanthite Cu2S, and proposed a possible route to stabilize Cu2S against Cu vacancy formations by alloying it with Ag.

  9. Automatic and rapid identification of glycopeptides by nano-UPLC-LTQ-FT-MS and proteomic search engine.

    Science.gov (United States)

    Giménez, Estela; Gay, Marina; Vilaseca, Marta

    2017-01-30

    Here we demonstrate the potential of nano-UPLC-LTQ-FT-MS and the Byonic™ proteomic search engine for the separation, detection, and identification of N- and O-glycopeptide glycoforms in standard glycoproteins. The use of a BEH C18 nanoACQUITY column allowed the separation of the glycopeptides present in the glycoprotein digest and a baseline-resolution of the glycoforms of the same glycopeptide on the basis of the number of sialic acids. Moreover, we evaluated several acquisition strategies in order to improve the detection and characterization of glycopeptide glycoforms with the maximum number of identification percentages. The proposed strategy is simple to set up with the technology platforms commonly used in proteomic labs. The method allows the straightforward and rapid obtention of a general glycosylated map of a given protein, including glycosites and their corresponding glycosylated structures. The MS strategy selected in this work, based on a gas phase fractionation approach, led to 136 unique peptides from four standard proteins, which represented 78% of the total number of peptides identified. Moreover, the method does not require an extra glycopeptide enrichment step, thus preventing the bias that this step could cause towards certain glycopeptide species. Data are available via ProteomeXchange with identifier PXD003578. We propose a simple and high-throughput glycoproteomics-based methodology that allows the separation of glycopeptide glycoforms on the basis of the number of sialic acids, and their automatic and rapid identification without prior knowledge of protein glycosites or type and structure of the glycans. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Rapid authentication and identification of different types of A. roxburghii by Tri-step FT-IR spectroscopy.

    Science.gov (United States)

    Chen, Ying; Huang, Jinfang; Yeap, Zhao Qin; Zhang, Xue; Wu, Shuisheng; Ng, Chiew Hoong; Yam, Mun Fei

    2018-03-24

    Anoectochilus roxburghii (Wall.) Lindl. (Orchidaceae) is a precious traditional Chinese medicinal herb and has been perennially used to treat various illness. However, there were unethical sellers who adulterated wild A. roxburghii with tissue cultured and cultivated ones. Therefore, there is an urgent need for an effective authentication method to differentiate between these different types of A. roxburghii. In this research, the infrared spectroscopic tri-step identification approach including Fourier transform infrared spectroscopy (FT-IR), Second derivative infrared spectra (SD-IR) and two-dimensional correlation infrared spectra (2D-IR) was used to develop a simple and rapid method to discriminate between wild, cultivated and tissue cultivated A. roxburghii plant. Through this study, all three types of A. roxburghii plant were successfully identified and discriminated through the infrared spectroscopic tri-step identification method. Besides that, all the samples of wild, cultivated and tissue cultivated A. roxburghii plant were analysed with the Soft Independent Modelling of Class Analogy (SIMCA) pattern recognition technique to test and verify the experimental results. The results showed that the three types of A. roxburghii can be discriminated clearly as the recognition rate was 100% for all three types and the rejection rate was more than 60%. 70% of the validated samples were also identified correctly by the SIMCA model. The SIMCA model was also validated by comparing 70 standard herbs to the model. As a result, it was demonstrated that the macroscopic IR fingerprint method and the classification analysis could discriminate not only between the A. roxburghi samples and the standard herbs, it could also distinguish between the three different types of A. roxburghi plant in a direct, rapid and holistic manner. Copyright © 2017. Published by Elsevier B.V.

  11. Achieving Standardization

    DEFF Research Database (Denmark)

    Henningsson, Stefan

    2016-01-01

    competitive, national customs and regional economic organizations are seeking to establish a standardized solution for digital reporting of customs data. However, standardization has proven hard to achieve in the socio-technical e-Customs solution. In this chapter, the authors identify and describe what has......International e-Customs is going through a standardization process. Driven by the need to increase control in the trade process to address security challenges stemming from threats of terrorists, diseases, and counterfeit products, and to lower the administrative burdens on traders to stay...... to be harmonized in order for a global company to perceive e-Customs as standardized. In doing so, they contribute an explanation of the challenges associated with using a standardization mechanism for harmonizing socio-technical information systems....

  12. Achieving Standardization

    DEFF Research Database (Denmark)

    Henningsson, Stefan

    2014-01-01

    competitive, national customs and regional economic organizations are seeking to establish a standardized solution for digital reporting of customs data. However, standardization has proven hard to achieve in the socio-technical e-Customs solution. In this chapter, the authors identify and describe what has......International e-Customs is going through a standardization process. Driven by the need to increase control in the trade process to address security challenges stemming from threats of terrorists, diseases, and counterfeit products, and to lower the administrative burdens on traders to stay...... to be harmonized in order for a global company to perceive e-Customs as standardized. In doing so, they contribute an explanation of the challenges associated with using a standardization mechanism for harmonizing socio-technical information systems....

  13. Training Standardization

    International Nuclear Information System (INIS)

    Agnihotri, Newal

    2003-01-01

    The article describes the benefits of and required process and recommendations for implementing the standardization of training in the nuclear power industry in the United States and abroad. Current Information and Communication Technologies (ICT) enable training standardization in the nuclear power industry. The delivery of training through the Internet, Intranet and video over IP will facilitate this standardization and bring multiple benefits to the nuclear power industry worldwide. As the amount of available qualified and experienced professionals decreases because of retirements and fewer nuclear engineering institutions, standardized training will help increase the number of available professionals in the industry. Technology will make it possible to use the experience of retired professionals who may be interested in working part-time from a remote location. Well-planned standardized training will prevent a fragmented approach among utilities, and it will save the industry considerable resources in the long run. It will also ensure cost-effective and safe nuclear power plant operation

  14. A novel coping metal material CoCrCu alloy fabricated by selective laser melting with antimicrobial and antibiofilm properties

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Ling [Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Memarzadeh, Kaveh [Institute of Dentistry, Barts and The London School of Medicine & Dentistry, Queen Mary University of London, Newark Street, London E1 2AT (United Kingdom); Zhang, Shuyuan; Sun, Ziqing; Yang, Chunguang [Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Ren, Guogang [University of Hertfordshire, Hatfield AL10 9AB (United Kingdom); Allaker, Robert P., E-mail: r.p.allaker@qmul.ac.uk [Institute of Dentistry, Barts and The London School of Medicine & Dentistry, Queen Mary University of London, Newark Street, London E1 2AT (United Kingdom); Yang, Ke, E-mail: kyang@imr.ac.cn [Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China)

    2016-10-01

    Objective: The aim of this study was to fabricate a novel coping metal CoCrCu alloy using a selective laser melting (SLM) technique with antimicrobial and antibiofilm activities and to investigate its microstructure, mechanical properties, corrosion resistance and biocompatibility. Methods: Novel CoCrCu alloy was fabricated using SLM from a mixture of commercial CoCr based alloy and elemental Cu powders. SLM CoCr without Cu served as control. Antibacterial activity was analyzed using standard antimicrobial tests, and antibiofilm properties were investigated using confocal laser scanning microscope. Cu distribution and microstructure were determined using scanning electron microscope, optical microscopy and X-ray diffraction. Corrosion resistance was evaluated by potential dynamic polarization and biocompatibility measured using an MTT assay. Results: SLM CoCrCu alloys were found to be bactericidal and able to inhibit biofilm formation. Other factors such as microstructure, mechanical properties, corrosion resistance and biocompatibility were similar to those of SLM CoCr alloys. Significance: The addition of appropriate amounts of Cu not only maintains normal beneficial properties of CoCr based alloys, but also provides SLM CoCrCu alloys with excellent antibacterial and antibiofilm capabilities. This material has the potential to be used as a coping metal for dental applications. - Highlights: • Novel CoCrCu alloys were fabricated by using selective laser melting (SLM). • SLM CoCrCu alloys showed satisfied antimicrobial and antibiofilm activities. • SLM CoCrCu alloys have no cytotoxic effect on normal cells. • Other properties of SLM CoCrCu alloys were similar to SLM CoCr alloys. • SLM CoCrCu alloys have the potential to be used as coping metals.

  15. A novel coping metal material CoCrCu alloy fabricated by selective laser melting with antimicrobial and antibiofilm properties

    International Nuclear Information System (INIS)

    Ren, Ling; Memarzadeh, Kaveh; Zhang, Shuyuan; Sun, Ziqing; Yang, Chunguang; Ren, Guogang; Allaker, Robert P.; Yang, Ke

    2016-01-01

    Objective: The aim of this study was to fabricate a novel coping metal CoCrCu alloy using a selective laser melting (SLM) technique with antimicrobial and antibiofilm activities and to investigate its microstructure, mechanical properties, corrosion resistance and biocompatibility. Methods: Novel CoCrCu alloy was fabricated using SLM from a mixture of commercial CoCr based alloy and elemental Cu powders. SLM CoCr without Cu served as control. Antibacterial activity was analyzed using standard antimicrobial tests, and antibiofilm properties were investigated using confocal laser scanning microscope. Cu distribution and microstructure were determined using scanning electron microscope, optical microscopy and X-ray diffraction. Corrosion resistance was evaluated by potential dynamic polarization and biocompatibility measured using an MTT assay. Results: SLM CoCrCu alloys were found to be bactericidal and able to inhibit biofilm formation. Other factors such as microstructure, mechanical properties, corrosion resistance and biocompatibility were similar to those of SLM CoCr alloys. Significance: The addition of appropriate amounts of Cu not only maintains normal beneficial properties of CoCr based alloys, but also provides SLM CoCrCu alloys with excellent antibacterial and antibiofilm capabilities. This material has the potential to be used as a coping metal for dental applications. - Highlights: • Novel CoCrCu alloys were fabricated by using selective laser melting (SLM). • SLM CoCrCu alloys showed satisfied antimicrobial and antibiofilm activities. • SLM CoCrCu alloys have no cytotoxic effect on normal cells. • Other properties of SLM CoCrCu alloys were similar to SLM CoCr alloys. • SLM CoCrCu alloys have the potential to be used as coping metals.

  16. Robust calibration transfer in noninvasive ethanol measurements, Part I: Mathematical basis for spectral distortions in Fourier transform near-infrared spectroscopy (FT-NIR).

    Science.gov (United States)

    Ridder, Trent D; Ver Steeg, Benjamin J; Price, Glenn L

    2014-01-01

    Multivariate calibration transfer in spectroscopy is an active area of interest. Many current approaches rely on the measurement of a subset of calibration samples on each instrument produced, an approach that can be impractical in many applications. Furthermore, such methods attempt to model implicitly, rather than explicitly, interinstrument differences. In Part I of this work, a Fourier transform near-infrared spectroscopy (FT-NIR) system designed to perform noninvasive ethanol measurements is discussed. Optical distortions caused by self-apodization, shear, and off-axis detector field of view (FOV) are examined and equations describing their effects are given. The effects of shear and off-axis detector FOV are shown to yield nonlinear distortions of the amplitude and wavenumber axes of measured spectra that cannot be accommodated by typical wavenumber calibration procedures or background correction. The distortions forecast by these equations are verified using laboratory measurements, and an analysis of the spectral complexity caused by the distortions is presented. The theoretical and experimental aspects presented in Part I are incorporated into a new calibration transfer method whose benefits are illustrated in Part II using noninvasive alcohol measurements. Although this work discusses a specific FT-NIR instrument and application, the methods developed form a general framework for modeling the distortions of other types of optical spectrometers to improve instrument standardization and multivariate calibration transfer.

  17. The use of UV, FT-IR and Raman spectra for the identification of the newest penem analogs: solutions based on mathematic procedure and the density functional theory.

    Science.gov (United States)

    Cielecka-Piontek, J; Lewandowska, K; Barszcz, B; Paczkowska, M

    2013-02-15

    The application of ultraviolet, FT-IR and Raman spectra was proposed for identification studies of the newest penem analogs (doripenem, biapenem and faropenem). An identification of the newest penem analogs based on their separation from related substances was achieved after the application of first derivative of direct spectra in ultraviolet which permitted elimination of overlapping effects. A combination of experimental and theoretical studies was performed for analyzing the structure and vibrational spectra (FT-IR and Raman spectra) of doripenem, biapenem and faropenem. The calculations were conducted using the density functional theory with the B3LYP hybrid functional and 6-31G(d,p) basis set. The confirmation of the applicability of the DFT methodology for interpretation of vibrational IR and Raman spectra of the newest penem analogs contributed to determination of changes of vibrations in the area of the most labile bonds. By employing the theoretical approach it was possible to eliminate necessity of using reference standards which - considering the instability of penem analogs - require that correction coefficients are factored in. Copyright © 2012 Elsevier B.V. All rights reserved.

  18. The spectroscopic (FT-IR, FT-Raman, (l3)C, (1)H NMR and UV) and NBO analyses of 4-bromo-1-(ethoxycarbonyl)piperidine-4-carboxylic acid.

    Science.gov (United States)

    Vitnik, Vesna D; Vitnik, Željko J

    2015-03-05

    In this work, we will report a combined experimental and theoretical study on molecular and vibrational structure of 4-bromo-1-(ethoxycarbonyl)piperidine-4-carboxylic acid (BEPA). BEPA has been characterized by FT-IR, FT-Raman, (1)H NMR, (13)C NMR and UV spectroscopy. The FT-IR and FT-Raman spectra of BEPA were recorded in the solid phase. The optimized geometry was calculated by B3LYP and M06-2X methods using 6-311G(d,p) basis set. The FT-IR and FT-Raman spectra of BEPA were calculated at the same level and were interpreted in terms of Potential Energy Distribution (PED) analysis. The scaled theoretical wavenumber showed very good agreement with the experimental values. The (1)H and (l3)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge-Independent Atomic Orbital (GIAO) method. Stability of the molecule arising from hyperconjugative interactions and charge delocalization has been analyzed using Natural Bond Orbital (NBO) analysis. Density plots over the highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) energy surface directly identifies the donor and acceptor atoms in the molecule. It also provides information about the charge transfer within the molecule. To obtain chemical reactivity of the molecule, the molecular electrostatic potential (MEP) surface map is plotted over the optimized geometry of the molecule. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. High spin states in Cu

    Indian Academy of Sciences (India)

    September 2000 physics pp.L471–L478. High spin states in. 63. Cu. B MUKHERJEE. ½,¾. , S MURALITHAR. ½. , R P SINGH. ½. , R KUMAR. ½. , K RANI. ½. ,. S C PANCHOLI. ¿ and R K BHOWMIK. ½. ½. Nuclear Science Centre, P.B. No. 10502, New Delhi 110 067, India. 2. Jawaharlal Nehru University, New Delhi 110 ...

  20. Cyclotron production of Cu-61

    Czech Academy of Sciences Publication Activity Database

    Lebeda, Ondřej; Ráliš, Jan; Seifert, Daniel

    2013-01-01

    Roč. 40, 2 Supplement (2013), S323-S323 ISSN 1619-7070. [Annual Congress of the European Association of Nuclear Medicine (EANM). 19.10.2013-23.10.2013, Lyon] R&D Projects: GA TA ČR TA02010797 Institutional support: RVO:61389005 Keywords : cyclotron U-120M * PET * Cu-61 Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders

  1. Cu uptake and turnover in both Cu-acclimated and non-acclimated rainbow trout (Oncorhynchus mykiss)

    DEFF Research Database (Denmark)

    Grosell, M.; Hogstrand, C.; Wood, C.M.

    1997-01-01

    Cu-64 accumulation and total Cu concentration were measured in plasma, red blood cells, gills, liver, kidney and bile during 65 h of exposure to Cu-64 at 20 mu g of Cu per liter, in non acclimated and Cu acclimated (28 days of preexposure) rainbow trout (Oncorhynchus mykiss) fitted with a dorsal...... aortic catheter. By measuring both Cu-64 accumulation and total Cu concentrations, we were able to analyse the ongoing uptake and turnover of ambient Cu, independent of any Cu already present in the fish. Plasma accounted for at least 90% of the Cu-64 labelled Cu present in the blood and Cu......-acclimation clearly involves changes in copper accumulation kinetics in the plasma. The acclimated fish showed a 65% reduced Cu-64 accumulation after 65 h and an increased turnover of Cu in the plasma compared to the non-acclimated fish. Total Cu in the plasma increased by 59% after 3 h of exposure in the non...

  2. Salinity-Based Toxicity of CuO Nanoparticles, CuO-Bulk and Cu Ion to Vibrio anguillarum

    Directory of Open Access Journals (Sweden)

    Alice Rotini

    2017-10-01

    Full Text Available Bacteria are used in ecotoxicology for their important role in marine ecosystems and their quick, reproducible responses. Here we applied a recently proposed method to assess the ecotoxicity of nanomaterials on the ubiquitous marine bacterium Vibrio anguillarum, as representative of brackish and marine ecosystems. The test allows the determination of 6-h EC50 in a wide range of salinity, by assessing the reduction of bacteria actively replicating and forming colonies. The toxicity of copper oxide nanoparticles (CuO NPs at different salinities (5-20-35 ‰ was evaluated. CuSO4 5H2O and CuO bulk were used as reference toxicants (solubility and size control, respectively. Aggregation and stability of CuO NP in final testing dispersions were characterized; Cu2+ dissolution and the physical interactions between Vibrio and CuO NPs were also investigated. All the chemical forms of copper showed a clear dose-response relationship, although their toxicity was different. The order of decreasing toxicity was: CuSO4 5H2O > CuO NP > CuO bulk. As expected, the size of CuO NP aggregates increased with salinity and, concurrently, their toxicity decreased. Results confirmed the intrinsic toxicity of CuO NPs, showing modest Cu2+ dissolution and no evidence of CuO NP internalization or induction of bacterial morphological alterations. This study showed the V. anguillarum bioassay as an effective tool for the risk assessment of nanomaterials in marine and brackish environments.

  3. Identification and characterization of salmonella serotypes using DNA spectral characteristics by fourier transform infrared (FT-IR) spectroscopy

    Science.gov (United States)

    Analysis of DNA samples of Salmonella serotypes (Salmonella Typhimurium, Salmonella Enteritidis, Salmonella Infantis, Salmonella Heidelberg and Salmonella Kentucky) were performed using Fourier transform infrared spectroscopy (FT-IR) spectrometer by placing directly in contact with a diamond attenua...

  4. Application of FT-IR Absorption Spectroscopy to Characterize Waste and Bio-Fuels for Pyrolysis and Gasification

    Czech Academy of Sciences Publication Activity Database

    Kalisz, S.; Svoboda, Karel; Robak, Z.; Baxter, D.; Andersen, L. K.

    2008-01-01

    Roč. 8, - (2008), s. 51-52 ISSN 1733-4381 Institutional research plan: CEZ:AV0Z40720504 Keywords : ft-Iir spectroscopy * bio-fuels * gasification Subject RIV: CI - Industrial Chemistry, Chemical Engineering

  5. Aerial Survey of Vessel Usage and Marine Animal Occurrence between Ft. Pierce and Key West Florida, 1992-2004

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — An aerial survey between Ft Pierce and Key West Florida was performed aboard US Coast Guard helicopters and fixed wing aircraft from September 1992 through March...

  6. Gyrokinetic full f analysis of electric field dynamics and poloidal velocity in the FT2-tokamak configuration

    International Nuclear Information System (INIS)

    Leerink, S.; Heikkinen, J. A.; Janhunen, S. J.; Kiviniemi, T. P.; Nora, M.; Ogando, F.

    2008-01-01

    The ELMFIRE gyrokinetic simulation code has been used to perform full f simulations of the FT-2 tokamak. The dynamics of the radial electric field and the creation of poloidal velocity in the presence of turbulence are presented.

  7. Simple Precipitation Synthesis of Pure Cu3V2O8 Nanoparticles and Investigation of their Optical Properties

    Directory of Open Access Journals (Sweden)

    M. Ghiyasiyan-Arani

    2015-10-01

    Full Text Available Copper vanadate nanostructures were prepared via ex-situ precipitation approach in presence of Schiff-base ligand (N,N׳ -buthylenebis(acetylacetone iminatodianion = acacbn as a new capping agent. The effect of different Cu sources and pH on the size, morphology and size distribution of copper vanadate nanostructures was investigated. The as-prepared products were characterized using X-ray diffraction (XRD, scanning electron microscopy (SEM, Fourier transform infrared (FT-IR spectrum, Electron Dispersive X-ray spectroscopy (EDX and ultraviolet– visible (UV–Vis spectroscopy. The optical properties of different samples were compared.

  8. New Production Routes for Medical Isotopes 64Cu and 67Cu Using Accelerator Neutrons

    Science.gov (United States)

    Kin, Tadahiro; Nagai, Yasuki; Iwamoto, Nobuyuki; Minato, Futoshi; Iwamoto, Osamu; Hatsukawa, Yuichi; Segawa, Mariko; Harada, Hideo; Konno, Chikara; Ochiai, Kentaro; Takakura, Kosuke

    2013-03-01

    We have measured the activation cross sections producing 64Cu and 67Cu, promising medical radioisotopes for molecular imaging and radioimmunotherapy, by bombarding a natural zinc sample with 14 MeV neutrons. We estimated the production yields of 64Cu and 67Cu by fast neutrons from \\text{natC(d,n) with 40 MeV 5 mA deuterons. We used the present result together with the evaluated cross section of Zn isotopes. The calculated 64Cu yield is 1.8 TBq (175 g 64Zn) for 12 h of irradiation; the yields of 67Cu by 67Zn(n,p)67Cu and 68Zn(n,x)67Cu were 249 GBq (184 g 67Zn) and 287 GBq (186 g 68Zn) at the end of 2 days of irradiation, respectively. From the results, we proposed a new route to produce 67Cu with very little radionuclide impurity via the 68Zn(n,x)67Cu reaction, and showed the 64Zn(n,p)64Cu reaction to be a promising route to produce 64Cu. Both 67Cu and 64Cu are noted to be produced using fast neutrons.

  9. Application of FT-IR spectroscopy on breast cancer serum analysis

    Science.gov (United States)

    Elmi, Fatemeh; Movaghar, Afshin Fayyaz; Elmi, Maryam Mitra; Alinezhad, Heshmatollah; Nikbakhsh, Novin

    2017-12-01

    Breast cancer is regarded as the most malignant tumor among women throughout the world. Therefore, early detection and proper diagnostic methods have been known to help save women's lives. Fourier Transform Infrared (FT-IR) spectroscopy, coupled with PCA-LDA analysis, is a new technique to investigate the characteristics of serum in breast cancer. In this study, 43 breast cancer and 43 healthy serum samples were collected, and the FT-IR spectra were recorded for each one. Then, PCA analysis and linear discriminant analysis (LDA) were used to analyze the spectral data. The results showed that there were differences between the spectra of the two groups. Discriminating wavenumbers were associated with several spectral differences over the 950-1200 cm- 1(sugar), 1190-1350 cm- 1 (collagen), 1475-1710 cm- 1 (protein), 1710-1760 cm- 1 (ester), 2800-3000 cm- 1 (stretching motions of -CH2 & -CH3), and 3090-3700 cm- 1 (NH stretching) regions. PCA-LDA performance on serum IR could recognize changes between the control and the breast cancer cases. The diagnostic accuracy, sensitivity, and specificity of PCA-LDA analysis for 3000-3600 cm- 1 (NH stretching) were found to be 83%, 84%, 74% for the control and 80%, 76%, 72% for the breast cancer cases, respectively. The results showed that the major spectral differences between the two groups were related to the differences in protein conformation in serum samples. It can be concluded that FT-IR spectroscopy, together with multivariate data analysis, is able to discriminate between breast cancer and healthy serum samples.

  10. Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test.

    Science.gov (United States)

    Jafarzadeh, Tahereh-Sadat; Erfan, Mohammad; Behroozibakhsh, Marjan; Fatemi, Mostafa; Masaeli, Reza; Rezaei, Yashar; Bagheri, Hossein; Erfan, Yasaman

    2015-01-01

    Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR) spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm). Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length) were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan) was performed at the top and bottom (depth=2 mm) surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

  11. Application of FT-ICR MS Equipped with Quadrupole Detection for Analysis of Crude Oil.

    Science.gov (United States)

    Cho, Eunji; Witt, Matthias; Hur, Manhoi; Jung, Maeng-Joon; Kim, Sunghwan

    2017-11-21

    Resolving power is a critical factor determining the quality of ultrahigh-resolving power mass spectra of crude oil. In this study, 7T Fourier-transform ion cyclotron mass spectrometry (FT-ICR MS), equipped with quadrupole detection, was applied and evaluated for crude oil analysis for the first time. Four spectra were obtained from two oil samples using two ionization methods. Resolving power of 1500000 was observed at m/z 400 with 4 s transient signal. Comparison with literature reports revealed that the achieved resolving power was comparable with or superior to those obtained from instruments using higher magnetic fields but without quadrupole detection. A total of 6000-10000 peaks with an S/N ratio of 3 or higher were observed from the obtained spectra and over 97% of the peaks could be assigned to appropriate chemical formulas with an error within 1 ppm. Double bond equivalents vs carbon number plots generated from the obtained data agreed well with those previously reported without quadrupole detection. Mass accuracy values of the assigned elemental formulas were examined and the average root-mean-square error was calculated to be only 160 ppb. Low unassignment rate of the observed peaks and strong agreement with previously reported results suggests that unwanted harmonics of reduced frequency are not significant for the data obtained with quadrupole detection. Overall, the data presented in this study show that FT-ICR MS equipped with quadrupole detection can be a powerful tool to examine complex mixtures like crude oil. To the best of our knowledge, this is the first paper reporting application of FT-ICR MS equipped with quadrupole detection for the oil analysis.

  12. Evaluation of Polymerization Efficacy in Composite Resins via FT-IR Spectroscopy and Vickers Microhardness Test

    Directory of Open Access Journals (Sweden)

    Tahereh-Sadat Jafarzadeh

    2015-12-01

    Full Text Available Background and aims. Polymerization efficacy affects the properties and performance of composite resin restorations.The purpose of this study was to evaluate the effectiveness of polymerization of two micro-hybrid, two nano-hybrid and one nano-filled ormocer-based composite resins, cured by two different light-curing systems, using Fourier transformation infrared (FT-IR spectroscopy and Vickers microhardness testing at two different depths (top surface, 2 mm. Materials and methods. For FT-IR spectrometry, five cylindrical specimens (5mm in diameter × 2 mm in length were prepared from each composite resin using Teflon molds and polymerized for 20 seconds. Then, 70-μm wafers were sectioned at the top surface and at2mm from the top surface. The degree of conversion for each sample was calculated using FT-IR spectroscopy. For Vickers micro-hardness testing, three cylindrical specimens were prepared from each composite resin and polymerized for 20 seconds. The Vickers microhardness test (Shimadzu, Type M, Japan was performed at the top and bottom (depth=2 mm surfaces of each specimen. Three-way ANOVA with independent variables and Tukey tests were performed at 95% significance level. Results. No significant differences were detected in degree of conversion and microhardness between LED and QTH light-curing units except for the ormocer-based specimen, CeramX, which exhibited significantly higher DC by LED. All the composite resins showed a significantly higher degree of conversion at the surface. Microhardness was not significantly affected by depth, except for Herculite XRV Ultra and CeramX, which showed higher values at the surface. Conclusion. Composite resins containing nano-particles generally exhibited more variations in degree of conversion and microhardness.

  13. Måling af fremdriften i arbejdsmiljøarbejdet - Tunge løft og ensidigt gentaget arbejde

    DEFF Research Database (Denmark)

    Fallentin, Niels; Jensen, Chris; Hasle, Peter

    En undersøgelse af virksomhedernes aktiviteter vedrørende tunge løft og ensidigt gentage arbejde baseret på telefoninterview og virksomhedsbesøg i en stikprøve af virksomheder.......En undersøgelse af virksomhedernes aktiviteter vedrørende tunge løft og ensidigt gentage arbejde baseret på telefoninterview og virksomhedsbesøg i en stikprøve af virksomheder....

  14. Application of FT-IR microspectroscopy to the study of an injectable composite for bone and dental surgery.

    OpenAIRE

    Weiss, Pierre; Bohic, Sylvain; Lapkowski, Mieczyslaw; Daculsi, Guy

    1998-01-01

    Hydroxypropylmethylcellulose (HPMC) of high-viscosity grade is used as a ligand for a bioactive calcium phosphate ceramic (the filler) in a ready-to-use injectable sterilized biomaterial for bone and dental surgery. Application of physico-chemical methods such as XPS, NMR, or Raman spectroscopy encounters difficulties when used to study such a multiphased material. This paper reports on the application of FT-IR microspectroscopy (FT-IRM) for the investigation of inorganic and organic phases o...

  15. Quantification and spatial distribution of salicylic acid in film tablets using FT-Raman mapping with multivariate curve resolution

    OpenAIRE

    Haslet Eksi-Kocak; Sibel Ilbasmis Tamer; Sebnem Yilmaz; Merve Eryilmaz; Ismail Hakkı Boyaci; Ugur Tamer

    2018-01-01

    In this study, we proposed a rapid and sensitive method for quantification and spatial distribution of salicylic acid in film tablets using FT-Raman spectroscopy with multivariate curve resolution (MCR). For this purpose, the constituents of film tablets were identified by using FT-Raman spectroscopy, and then eight different concentrations of salicylic acid tablets were visualized by Raman mapping. MCR was applied to mapping data to expose the active pharmaceutical ingredients in the presenc...

  16. Cu Purification Using an Extraction Resin for Determination of Isotope Ratios by Multicollector ICP-MS

    Directory of Open Access Journals (Sweden)

    Akio Makishima

    2014-06-01

    Full Text Available A new simple and quick method has been established for separation of Cu from solutions using an extraction chromatographic resin utilizing Aliquat® 336 (commercially available as TEVA™ resin and Cu(I. This method involves the use of a one milliliter column containing 0.33 mL TEVA™ resin on 0.67 mL Amberchrom® CG-71C acrylic resin. Copper was adsorbed on the column by forming Cu(I with 0.15% ascorbic acid in 0.05 mol·L−1 HBr, while other major elements except Zn showed no adsorption. After removal of the major elements (Na, Mg, Al, P, K, Ca, Cr, Mn, Fe, Co and Ni, Cu was recovered using 2 mol·L−1 HNO3. The recovery yield and total blank were 102% ± 2% and 0.25 ng, respectively. To evaluate the separation method, Cu isotope ratios were determined by a standard-sample-standard bracketing method using multicollector inductively coupled plasma-mass spectrometry (ICP-MS, with a repeatability of 0.04‰ and 0.25‰ (SD, for the standard solution and the solutions from low S (<0.1% S silicate standards, respectively.

  17. Facile preparation of polyethylenimine-tannins coated SiO2 hybrid materials for Cu2+ removal

    Science.gov (United States)

    Huang, Qiang; Liu, Meiying; Zhao, Jiao; Chen, Junyu; Zeng, Guangjian; Huang, Hongye; Tian, Jianwen; Wen, Yuanqing; Zhang, Xiaoyong; Wei, Yen

    2018-01-01

    Polyethylenimine-tannins coated SiO2 (SiO2@PEI-TA) hybrid materials have been prepared via a single-step multifunctional coating with polyethylenimine (PEI) and tannins (TA), and characterized by transmission electron microscope (TEM), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), and X-ray photoelectron spectroscopy (XPS). The as-prepared SiO2@PEI-TA composites were examined as adsorbents to remove the Cu2+ from aqueous solution. The effects of contact time, initial Cu2+ concentration, solution pH and temperature, on Cu2+ adsorption have been investigated. The results show that the adsorption of Cu2+ onto SiO2@PEI-TA is dependent on the contact time, Cu2+ concentration, pH and temperature. The SiO2@PEI-TA composites show a 2.4-fold increase in adsorption capacity, implying that the introduction of PEI-TA coating is in favor of the Cu2+ adsorption. Based on the analysis of kinetic data, the kinetics of Cu2+ adsorption is more accurately described by the pseudo-second-order model. The equilibrium data are analyzed by Langmuir and Freundlich isotherms. Results of isotherms show that the better agreement is Freundlich isotherm model with correlation coefficient of 0.9914, which suggests that the adsorption of Cu2+ onto SiO2@PEI-TA is mainly a heterogeneous adsorption process. Thermodynamic analyses show that the adsorption interaction is actually a spontaneous and endothermic chemical process, which might involve the chemical chelation between Cu2+ and functional groups (amine and carboxyl groups) on the surface of SiO2@PEI-TA. In addition, the Cu2+ ions could desorb from SiO2@PEI-TA by using acid solution and the adsorption efficiency remains at high level after five adsorption-desorption recycles. These results provide potential applications of these novel adsorbents for the removal of heavy metal Cu2+ from aqueous solution and also provide strong evidence to support the adsorption mechanism proposed in the study.

  18. Bimetallic AgCu/Cu2O hybrid for the synergetic adsorption of iodide from solution.

    Science.gov (United States)

    Mao, Ping; Liu, Ying; Liu, Xiaodong; Wang, Yuechan; Liang, Jie; Zhou, Qihang; Dai, Yuexuan; Jiao, Yan; Chen, Shouwen; Yang, Yi

    2017-08-01

    To further improve the capacity of Cu 2 O to absorb I - anions from solution, and to understand the difference between the adsorption mechanisms of Ag/Cu 2 O and Cu/Cu 2 O adsorbents, bimetallic AgCu was doped into Cu 2 O through a facile solvothermal route. Samples were characterized and employed to adsorb I - anions under different experimental conditions. The results show that the Cu content can be tuned by adding different volumes of Ag sols. After doping bimetallic AgCu, the adsorption capacity of the samples can be increased from 0.02 mmol g -1 to 0.52 mmol g -1 . Moreover, the optimal adsorption is reached within only 240 min. Meanwhile, the difference between the adsorption mechanisms of Ag/Cu 2 O and Cu/Cu 2 O adsorbents was verified, and the cooperative adsorption mechanism of the AgCu/Cu 2 O hybrid was proposed and verified. In addition, the AgCu/Cu 2 O hybrid showed excellent selectivity, e.g., its adsorption efficiencies are 85.1%, 81.9%, 85.9% and 85.7% in the presence of the Cl - , CO 3 2- , SO 4 2- and NO 3 - competitive anions, respectively. Furthermore, the AgCu/Cu 2 O hybrid can worked well in other harsh environments (e.g., acidic, alkaline and seawater environments). Therefore, this study is expected to promote the development of Cu 2 O into a highly efficient adsorbent for the removal of iodide from solution. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. FT-IR and Computational Study of Di-2-pyridyl Ketone Nicotinoylhydrazone

    Directory of Open Access Journals (Sweden)

    Neema Ani Mangalam

    2010-10-01

    Full Text Available Di-2-pyridyl ketone nicotinoylhydrazone was prepared by condensation between appropriate aldehyde/ketone with the respective acid hydrazide. The FT-IR spectrum is recorded and analysed. The vibrational frequencies were computed using the HF/6-31G(d and B3LYP/6-31G(d basis and compared with experimental data. The infrared intensities and first hyperpolarizability are reported. The calculated data suggest an extended π-electron delocalization over the pyridyl and nicotinoyl hydrazone moieties which are responsible for the nonlinearity of the molecule. Optimized geometrical parameters (DFT of the title compound are in agreement with similar reported structures.

  20. Typing some of lactic acid bacteria in Syria using PCR and FT-IR techniques

    International Nuclear Information System (INIS)

    Al-Mariri, A.; Sharabi, N. D.

    2008-11-01

    Lactic Acid Bacteria (LAB) are considered to be the most useful microorganisms. They are beneficial in flavoring foods, inhibiting pathogenic as well as spoilage bacteria in food products. The isolates of LAB were obtained from traditional Syrian dairy products (white cheese and curdled yogurt) obtained from different regions in Syria. The isolates were subjected to phenotypic characterization analyses. The PCR technique of bacterial DNA was evaluated as an advanced tool for the identification of LAB. It was found that strains: E. faecium, E. faecalis and S. thermophilus dominate in white cheese and in yogurt. Our results demonstrated that we could identify LAB using Fourier transform infrared spectroscopy (FT-IR) patterns. (Authors)

  1. Clinical study of FT-207 suppository for head and neck malignancies

    International Nuclear Information System (INIS)

    Tomioka, Masashi; Usami, Masami; Sakamoto, Ayako

    1982-01-01

    Futraful suppository 1.5g per day was administered to 33 patients with head and neck malignancies. Among 33 cases which entered into the study, 16 cases were evaluated. Out of 16 evaluable cases, complete responses (CRs) were obtained in 4 cases and partial responses (PRs) in 7 cases. An overall response rate including 4 CRs and 7 PRs was 68.8%. Side effects due to FT-207 suppository were developed in 14 cases out of 33 patients (42.4%) Side effects such as anal pain, anorexia, diarrhea, pigmentation, exanthema and nail change were observed. No severe side effect was encountered. (author)

  2. [Application of FT-IR pattern recognition method for the quality control of pharmaceutical ingredients].

    Science.gov (United States)

    Horgos, József; Kóger, Péter; Zelkó, Romána

    2009-01-01

    Nowadays infrared spectroscopy and chemometrics have proven their effectiveness for both qualitative and quantitative analyses in different fields like agriculture, food, chemical and oil industry. Furier Transformation Infrared Spectroscopy (FT-IR) combined with Attenuated Total Reflectance (ATR) plate is a fast identification instrument. It is suitable for analysis of solid and liquid phase, too. Associated with chemometrics, it would be a powerful tool for the pharmaceutical wholesalers to detect the insufficient quality of pharmaceutical ingredients. In the present study beside the review of the infra red technology, pharmaceutical ingredients were examined with the help of our spectra library.

  3. Using FT-IR Spectroscopy to Elucidate the Structures of Ablative Polymers

    Science.gov (United States)

    Fan, Wendy

    2011-01-01

    The composition and structure of an ablative polymer has a multifaceted influence on its thermal, mechanical and ablative properties. Understanding the molecular level information is critical to the optimization of material performance because it helps to establish correlations with the macroscopic properties of the material, the so-called structure-property relationship. Moreover, accurate information of molecular structures is also essential to predict the thermal decomposition pathways as well as to identify decomposition species that are fundamentally important to modeling work. In this presentation, I will describe the use of infrared transmission spectroscopy (FT-IR) as a convenient tool to aid the discovery and development of thermal protection system materials.

  4. Typing some of lactic acid bacteria in Syria using PCR and FT-IR techniques

    International Nuclear Information System (INIS)

    Al-Mariri, A.; Sharabi, N. D.

    2010-01-01

    Lactic Acid Bacteria (LAB) are considered to be the most useful microorganisms. They are beneficial in flavoring foods, inhibiting pathogenic as well as spoilage bacteria in food products. The isolates of LAB were obtained from traditional Syrian dairy products (white cheese and curdled yogurt) obtained from different regions in Syria. The isolates were subjected to phenotypic characterization analyses. The PCR technique of bacterial DNA was evaluated as an advanced tool for the identification of LAB. It was found that strains: E. faecium, E. faecalis and S. thermophilus dominate in white cheese and in yogurt. Our results demonstrated that we could identify LAB using Fourier transform infrared spectroscopy (FT-IR) patterns. (author)

  5. Study on the bywalled plasma near the FT-2 tokamak limiter

    International Nuclear Information System (INIS)

    Budnikov, V.N.; Gerasimenko, G.V.; Esipov, L.A.; Levitskij, A.N.; Sakharov, I.E.; Shatalin, S.V.

    1987-01-01

    Results od investigation into the bywalled plasma near the FT-2 tokamak limiter, conducted using the ternary probe method are presented. Plasma charged particle concentration radial profiles, results of measuring the electron temperature and azimuthal electric field are presented. It is shown, that at l > 2mm, where l is the distance up to the limiter, concentration practically does not depend on the longitudinal coordinate and near the limiter (l < 20 mm) a sharp drop of plasma charged particle concentration measured values (∼ 2-fold) is observed. Neoclassical mechanism of filling the depletion area (the probe shade) is confirmed

  6. Authenticity study of Phyllanthus species by NMR and FT-IR Techniques coupled with chemometric methods

    Directory of Open Access Journals (Sweden)

    Maiara S. Santos

    2012-01-01

    Full Text Available The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as "quebra-pedras" in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, ¹H HR-MAS NMR and ¹H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques.

  7. Spherical accretion of matter by charged black holes on f(T) Gravity

    Science.gov (United States)

    Rodrigues, M. E.; Junior, E. L. B.

    2018-03-01

    We studied the spherical accretion of matter by charged black holes on f(T) Gravity. Considering the accretion model of a isentropic perfect fluid we obtain the general form of the Hamiltonian and the dynamic system for the fluid. We have analysed the movements of an isothermal fluid model with p=ω e and where p is the pressure and e the total energy density. The analysis of the cases shows the possibility of spherical accretion of fluid by black holes, revealing new phenomena as cyclical movement inside the event horizon.

  8. Pentalum SpiDAR Deployment at SWiFT FY17.

    Energy Technology Data Exchange (ETDEWEB)

    Westergaard, Carsten [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Pol, Suhas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Pereira, Tassia [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Castillo, Ricardo [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-12-01

    The Texas Tech University ( TTU ) research group is actively studying the wake development of wind turbines, as part of developing innovative wake control strategies to improve the performance of wind farms. Recently, the team received a set of five new gro und lidars to perform field measurements at the Sandia National Laboratories SWiFT site. This document describes tests details including configurations, timeframe, hardware, and the required collaboration from the Sandia team. This test plan will facili tate the coordination between both TTU and the Sandia team in terms of site accessibility, staff training, and data sharing to meet the specific objectives of the tests.

  9. Characterization of laser-treated Opuntia using FT-IR spectroscopy and thermal analysis

    Science.gov (United States)

    Mejías Díaz, K. D.; Flores Reyes, T.; Ponce Cabrera, L.; Domínguez Sánchez, M.; Arronte García, M.; de Posada Piñán, E.

    2013-07-01

    This paper presents the characterization of Opuntia samples whose thorns were removed by laser pulses. The characterization was performed by Fourier transform infrared (FT-IR) spectroscopy and differential scanning calorimetry (DSC). In this study we performed a comparative analysis of samples before and after treatment by using a Nd:YAG laser emitting at 1064 nm with an energy variable of up to 0.9 J. It was determined that no significant morphological or compositional changes had taken place in the cactus epidermis due to the laser treatment.

  10. Measurement of single moving particle temperatures with an FT-IR spectrometer

    DEFF Research Database (Denmark)

    Clausen, Sønnik; Sørensen, L.H.

    1996-01-01

    A conventional scanning FT-IR spectrometer is used to measure the blackbody radiation through a rapidly moving pinhole in an experiment simulating a dying hot particle. The effects and errors from source movements are analyzed and verified through experiments. The importance of the scanning...... by a factor of 2-10 compared with results from a typical two-color pyrometer. A novel method is presented for measuring emission spectra from single moving particles passing the field of view of the spectrometer in a random manner....

  11. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil). Dept. de Quimica; Boffo, Elisangela F. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Inst. de Quimica; Figueira, Glyn M., E-mail: maiarassantos@yahoo.com.br [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Centro Pluridisciplinar de Pesquisas Quimicas, Biologicas e Agricolas

    2012-07-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, {sup 1}H HR-MAS NMR and {sup 1}H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  12. Spherically Symmetric Geometries in f(T and f(R Gravitational Theories

    Directory of Open Access Journals (Sweden)

    Gamal G. L. Nashed

    2015-01-01

    Full Text Available Using the well know relation between Ricci scalar, R, and torsion scalar, T, that is, R=-T-2∇αTα, we show that, for any spherically symmetric spacetime whose (i scalar torsion vanishing, that is, T=TμναSαμν=0 or (ii total derivative term, that is, ∇αTα with Tα is the contraction of the torsion, vanishing, or (iii the combination of scalar torsion and total derivative term vanishing, could be solution for f(T and f(R gravitational theories.

  13. Manufacturable CuIn(Ga)Se{sub 2}-based solar cells via development of co-sputtered CuInSe{sub 2} absorber layers

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Ingrid Eisgruber

    1999-03-20

    Yield and reproducibility remain issues in CuIn(Ga)Se{sub 2} (CIGS) photovoltaic module fabrication. While small-area cells (<1 cm{sup 2}) over 18% efficient have been reported, the best large-area manufactured devices (>1 ft{sup 2}) are 11% efficient with about 60% yield. If improvements in large-area manufacturing can accomplish 15% efficiency and 90% yield, the result is a doubling in throughput leading to a reduction in cost per watt of over 50%. The challenge now facing the photovoltaics industry is to bring the efficiencies of small-area cells and large-area industrial modules closer together and to raise manufacturing yields.

  14. [Effect of solcoseryl and combined therapy of solcoseryl and FT-207 for mice bearing meth-A tumor].

    Science.gov (United States)

    Iwasa, H; Mimura, K; Ohsaki, Y; Kanabe, S; Hiraide, H; Mizoguchi, O; Tamaki, K; Kurokawa, T; Hatsuse, K; Kadota, T; Ezoe, I; Tsuru, S; Zinnaka, Y

    1983-02-01

    The effects of a combined chemotherapy of solcoseryl and FT-207 on tumor growth, delayed hypersensitivity and cell population of the spleen were studied using inbred BALB/c mice. Meth-A tumor cells (2 X 10(6] were inoculated into the back of 5 to 6 week old BALB/c male mouse. Animals were divided into three groups: Solcoseryl group, in which 0.04 mg of solcoseryl was injected intravenously three times before inoculation and four times after inoculation; Combined group, in which 1.2 mg of FT-207 and 0.04 mg of solcoseryl were injected intravenously four times after inoculation; FT-207 group, in which 1.2 mg of FT-207 was injected four times after inoculation, with out solcoseryl administration. Following results were obtained: Solcoseryl group showed enhanced immunity and tumor suppression; Decreased immunity due to FT-207 was recovered by administration of solcoseryl but no tumor suppression was observed and, Decreased T-cell population of spleen due to FT-207 was recovered by administration of solcoseryl. These facts suggested that solcoseryl was useful because of making recovery possible from decreased immunity due to chemotherapy.

  15. Inflorescence Development and the Role of LsFT in Regulating Bolting in Lettuce (Lactuca sativa L.

    Directory of Open Access Journals (Sweden)

    Zijing Chen

    2018-01-01

    Full Text Available Lettuce (Lactuca sativa L. is one of the most important leafy vegetable that is consumed during its vegetative growth. The transition from vegetative to reproductive growth is induced by high temperature, which has significant economic effect on lettuce production. However, the progression of floral transition and the molecular regulation of bolting are largely unknown. Here we morphologically characterized the inflorescence development and functionally analyzed the FLOWERING LOCUS T (LsFT gene during bolting regulation in lettuce. We described the eight developmental stages during floral transition process. The expression of LsFT was negatively correlated with bolting in different lettuce varieties, and was promoted by heat treatment. Overexpression of LsFT could recover the late-flowering phenotype of ft-2 mutant. Knockdown of LsFT by RNA interference dramatically delayed bolting in lettuce, and failed to respond to high temperature. Therefore, this study dissects the process of inflorescence development and characterizes the role of LsFT in bolting regulation in lettuce.

  16. Inflorescence Development and the Role of LsFT in Regulating Bolting in Lettuce (Lactuca sativa L.)

    Science.gov (United States)

    Chen, Zijing; Han, Yingyan; Ning, Kang; Ding, Yunyu; Zhao, Wensheng; Yan, Shuangshuang; Luo, Chen; Jiang, Xiaotang; Ge, Danfeng; Liu, Renyi; Wang, Qian; Zhang, Xiaolan

    2018-01-01

    Lettuce (Lactuca sativa L.) is one of the most important leafy vegetable that is consumed during its vegetative growth. The transition from vegetative to reproductive growth is induced by high temperature, which has significant economic effect on lettuce production. However, the progression of floral transition and the molecular regulation of bolting are largely unknown. Here we morphologically characterized the inflorescence development and functionally analyzed the FLOWERING LOCUS T (LsFT) gene during bolting regulation in lettuce. We described the eight developmental stages during floral transition process. The expression of LsFT was negatively correlated with bolting in different lettuce varieties, and was promoted by heat treatment. Overexpression of LsFT could recover the late-flowering phenotype of ft-2 mutant. Knockdown of LsFT by RNA interference dramatically delayed bolting in lettuce, and failed to respond to high temperature. Therefore, this study dissects the process of inflorescence development and characterizes the role of LsFT in bolting regulation in lettuce. PMID:29403510

  17. The surface condition effect of Cu2O flower/grass-like nanoarchitectures grown on Cu foil and Cu film

    Science.gov (United States)

    2013-01-01

    Cu2O flower/grass-like nanoarchitectures (FGLNAs) were fabricated directly on two category specimens of Cu foils and Cu film using thermal oxidation method. The FGLNAs are approximately 3.5 to 12 μm in size, and their petals are approximately 50 to 950 nm in width. The high compressive stress caused by a large oxide volume in the Cu2O layer on the specimen surface played an important role in the growth of FGLNAs. The effects of surface conditions, such as the surface stresses, grain size, and surface roughness of Cu foil and Cu film specimens, on the FGLNA growth were discussed in detail. PACS 81. Materials science; 81.07.-b Nanoscale materials and structures: fabrication and characterization; 81.16.Hc Catalytic methods PMID:24164860

  18. FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: vigabatrin.

    Science.gov (United States)

    Edwin, Bismi; Joe, I Hubert

    2013-10-01

    Vibrational analysis of anti-epileptic drug vigabatrin, a structural GABA analog was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers were studied using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bond orbital analysis and optimized molecular structure show clear evidence for the effect of electron charge transfer on the activity of the molecule. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Good consistency is found between the calculated results and experimental data for the electronic absorption as well as IR and Raman spectra. The blue-shifting of the C-C stretching wavenumber reveals that the vinyl group is actively involved in the conjugation path. The NBO analysis confirms the occurrence of intramolecular hyperconjugative interactions resulting in ICT causing stabilization of the system. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Advanced discriminating criteria for natural organic substances of cultural heritage interest: spectral decomposition and multivariate analyses of FT-Raman and FT-IR signatures.

    Science.gov (United States)

    Daher, Céline; Bellot-Gurlet, Ludovic; Le Hô, Anne-Solenn; Paris, Céline; Regert, Martine

    2013-10-15

    Natural organic substances are involved in many aspects of the cultural heritage field. Their presence in different forms (raw, heated, mixed), with various conservation states, constitutes a real challenge regarding their recognition and discrimination. Their characterization usually involves the use of separative techniques which imply destructive sampling and specific analytical preparations. Here we propose a non destructive approach using FT-Raman and infrared spectroscopies for the identification and differentiation of natural organic substances. Because of their related functional groups, they usually present similar vibrational signatures. Nevertheless the use of appropriate signal treatment and statistical analysis was successfully carried out to overcome this limitation, then proposing new objective discriminating methodology to identify these substances. Spectral decomposition calculations were performed on the CH stretching region of a large set of reference materials such as resins, oils, animal glues, and gums. Multivariate analyses (Principal Component Analyses) were then performed on the fitting parameters, and new discriminating criteria were established. A set of previously characterized archeological resins, with different surface aspects or alteration states, was analyzed using the same methodology. These testing samples validate the efficiency of our discriminating criteria established on the reference corpus. Moreover, we proved that some alteration or ageing of organic materials is not an issue to their recognition. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. QM/MM methodology, docking and spectroscopic (FT-IR/FT-Raman, NMR, UV) and Fukui function analysis on adrenergic agonist.

    Science.gov (United States)

    Uma Maheswari, J; Muthu, S; Sundius, Tom

    2015-02-25

    The Fourier transform infrared, FT-Raman, UV and NMR spectra of Ternelin have been recorded and analyzed. Harmonic vibrational frequencies have been investigated with the help of HF with 6-31G (d,p) and B3LYP with 6-31G (d,p) and LANL2DZ basis sets. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO method. The polarizability (α) and the first hyperpolarizability (β) values of the investigated molecule have been computed using DFT quantum mechanical calculations. Stability of the molecule arising from hyper conjugative interactions, and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The electron density-based local reactivity descriptors such as Fukui functions were calculated to explain the chemical selectivity or reactivity site in Ternelin. Finally the calculated results were compared to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra. Molecular docking studies have been carried out in the active site of Ternelin and reactivity with ONIOM was also investigated. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Layered structure analysis of multilayers by X-ray reflectometry using the Cu-Kβ line

    International Nuclear Information System (INIS)

    Usami, Katsuhisa; Ueda, Kazuhiro; Hirano, Tatsumi; Hoshiya, Hiroyuki; Narishige, Shinji.

    1997-01-01

    The suitability of X-ray reflectometry using the Cu-K β line for layered structure analysis of NiFe/Cu/NiFe/Ta layered films was studied. Structural parameters such as film thickness, density, and interface width can be determined more accurately than by Cu-K α1 X-ray reflectometry, owing to the abnormal dispersion effect. The standard deviations in determination of film thicknesses were within ±0.3% for NiFe and Ta films and ±0.03 nm for 2 nm Cu film. Those for the densities and interface widths were within ±2% and ±0.04 nm for all films, respectively. Analysis of some layered films regarding the change in Cu film thickness showed that in all these samples the density of the films most closely reflected the density of bulk material, and the interface width between the upper NiFe and Cu films increased with increasing Cu film thickness. (author)

  2. Reactivity of thiazolidine-2-thione towards Cu /Cu : Synthesis and ...

    Indian Academy of Sciences (India)

    crystallography. Yield 60%. 2.3 Synthesis of [Cu(κ2-N,N'-bipy)2(κ1-ONO2)](NO3). (2). To a blue solution of copper(II) nitrate (0.025 g, 0.10 mmol) in ethanol (2 mL) was added a solution of thiazolidine-2-thione (0.11g, 0.10 mmol) in ethanol (2. mL). To the mixture was added two drops of dimethyl formamide. The colour of the ...

  3. The Category Cued Recall test in very mild Alzheimer's disease

    DEFF Research Database (Denmark)

    Vogel, Asmus; Mortensen, E.L.; Gade, A.

    2007-01-01

    Episodic memory tests that measure cued recall may be particularly effective in the diagnosis of early Alzheimer's disease (AD) because they examine both episodic and semantic memory functions. The Category Cued Recall (CCR) test provides superordinate semantic cues at encoding and retrieval......, and high discriminative validity has been claimed for this test. The aim of this study was to investigate the discriminative validity for this test when compared with the 10-word memory list from Alzheimer's Disease Assessment Scale (ADAS-cog) that measures free recall. The clinical diagnosis of AD...... was taken as the standard. It was also investigated whether the two episodic memory tests correlated with measures of semantic memory. The tests were administered to 35 patients with very mild AD (Mini Mental State Examination score > 22) and 28 control subjects. Both tests had high sensitivity (>88...

  4. Multigenerational effects of copper nanomaterials (CuONMs) are different of those of CuCl2: exposure in the soil invertebrate Enchytraeus crypticus.

    Science.gov (United States)

    Bicho, Rita C; Santos, Fátima C F; Scott-Fordsmand, Janeck J; Amorim, Mónica J B

    2017-08-16

    Nanomaterials (NMs) are recommended to be tested in longer term exposures. Multigenerational (MG) studies are scarce and particularly important because effects can be transferred to the next generation. The current risk assessment framework does not include MG effects and this is a caveat for persistent materials. Here, the effects of copper NMs (CuONMs) and copper salt (CuCl 2 ) were assessed in a MG exposure (4 generations in spiked soil + 2 generations in clean soil, F1 to F7 generations in total), with the standard soil model Enchytraeus crypticus, using relevant reproduction test effect concentrations (EC 10 , EC 50 ), monitoring survival and reproduction. This represented ca. 1 year continuous exposure tests. MG effects varied with effect concentration and test materials: CuONMs caused increased toxicity for EC 10 exposed organisms (EC 50 did not change), and transfer to clean media reset effects, whereas CuCl 2 reduced toxicity for EC 10 and EC 50 , but the transfer to clean media "revived" the initial effects, i.e. close to EC 50 levels in F7. Clearly CuONMs and CuCl 2 cause different mechanisms of toxicity or response in the long term, not predictable based on short term or one generation studies. The present contributes for the improvement of risk assessment, adding important information for the long term exposure and effects.

  5. Spatiotemporal Stability of Cu-ATSM and FLT Positron Emission Tomography Distributions During Radiation Therapy

    Energy Technology Data Exchange (ETDEWEB)

    Bradshaw, Tyler J.; Yip, Stephen; Jallow, Ngoneh [Department of Medical Physics, School of Medicine and Public Health, University of Wisconsin, Madison, Wisconsin (United States); Forrest, Lisa J. [Department of Surgical Sciences, School of Veterinary Medicine, University of Wisconsin, Madison, Wisconsin (United States); Jeraj, Robert, E-mail: rjeraj@wisc.edu [Department of Medical Physics, School of Medicine and Public Health, University of Wisconsin, Madison, Wisconsin (United States); Department of Human Oncology, School of Medicine and Public Health, University of Wisconsin, Madison, Wisconsin (United States)

    2014-06-01

    Purpose: In dose painting, in which functional imaging is used to define biological targets for radiation therapy dose escalation, changes in spatial distributions of biological properties during treatment can compromise the quality of therapy. The goal of this study was to assess the spatiotemporal stability of 2 potential dose painting targets—hypoxia and proliferation—in canine tumors during radiation therapy. Methods and Materials: Twenty-two canine patients with sinonasal tumors (14 carcinoma and 8 sarcoma) were imaged before hypofractionated radiation therapy with copper(II)-diacetyl-bis(N4-methylthiosemicarbazone) (Cu-ATSM) positron emission tomography/computed tomography (PET/CT) for hypoxia and 3′-deoxy-3′-{sup 18}F-fluorothymidine (FLT) PET/CT for proliferation. The FLT scans were repeated after 2 fractions and the Cu-ATSM scans after 3 fractions. Midtreatment PET/CT images were deformably registered to pretreatment PET/CT images. Voxel-based Spearman correlation coefficients quantified the spatial stability of Cu-ATSM and FLT uptake distributions between pretreatment and midtreatment scans. Paired t tests determined significant differences between the patients' respective Cu-ATSM and FLT correlations coefficients. Standardized uptake value measures were also compared between pretreatment and midtreatment scans by use of paired t tests. Results: Spatial distributions of Cu-ATSM and FLT uptake were stable through midtreatment for both sarcomas and carcinomas: the population mean ± standard deviation in Spearman correlation coefficient was 0.88 ± 0.07 for Cu-ATSM and 0.79 ± 0.13 for FLT. The patients' Cu-ATSM correlation coefficients were significantly higher than their respective FLT correlation coefficients (P=.001). Changes in Cu-ATSM SUV measures from pretreatment to midtreatment were histology dependent: carcinomas experienced significant decreases in Cu-ATSM uptake (P<.05), whereas sarcomas did not (P>.20). Both histologies

  6. A nanocomplex of Cu(II) with theophylline drug; synthesis, characterization, and anticancer activity against K562 cell line

    Science.gov (United States)

    Sahlabadi, Maryam; Daryanavard, Marzieh; Hadadzadeh, Hassan; Amirghofran, Zahra

    2018-03-01

    A new mononuclear of copper (II), [Cu(theophylline)2(H2O)3]·2H2O, has been synthesized by reaction of theophylline (1,3-dimethyl-7H-purine-2,6-dione) with copper (II) nitrate in water. Further, its nanocomplex has been prepared through the three different methods including sonication, grinding, and a combination thereof, sonication-grinding. The prepared nanocomplex was characterized using different techniques including FT-IR, UV-Vis, X-ray diffraction (XRD) analysis, and field-emission scanning electron microscopy (FE-SEM). Moreover, the anticancer activity of the precursor complex, nanocomplex, free theophylline ligand, and the starting copper salt (Cu(NO3)2·3H2O) was investigated against the K562 cell line. The results show that the nanocomplex is an effective nano metal-based anticancer agent with IC50 = 11.7 μM.

  7. Facile synthesis of dendritic Cu by electroless reaction of Cu-Al alloys in multiphase solution

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ying; Liang, Shuhua, E-mail: liangxaut@gmail.com; Yang, Qing; Wang, Xianhui

    2016-11-30

    Highlights: • Nano- or micro-scale fractal dendritic copper (FDC) was synthesized by electroless immersing of Cu-Al alloys in CuCl{sub 2} + HCl. • FDC size increases with the increase of Al content in Cu-Al alloys immersed in CuCl{sub 2} + HCl solution. • Nanoscale Cu{sub 2}O was found at the edge of FDC. Nanoporous copper (NPC) can also be obtained by using Cu{sub 17}Al{sub 83} alloy. • The potential difference between CuAl{sub 2} and α-Al phase and the replacement reaction in multiphase solution are key factors. - Abstract: Two-dimensional nano- or micro-scale fractal dendritic coppers (FDCs) were synthesized by electroless immersing of Cu-Al alloys in hydrochloric acid solution containing copper chloride without any assistance of template or surfactant. The FDC size increases with the increase of Al content in Cu-Al alloys immersed in CuCl{sub 2} + HCl solution. Compared to Cu{sub 40}Al{sub 60} and Cu{sub 45}Al{sub 55} alloys, the FDC shows hierarchical distribution and homogeneous structures using Cu{sub 17}Al{sub 83} alloy as the starting alloy. The growth direction of the FDC is <110>, and all angles between the trunks and branches are 60°. Nanoscale Cu{sub 2}O was found at the edge of FDC. Interestingly, nanoporous copper (NPC) can also be obtained through Cu{sub 17}Al{sub 83} alloy. Studies showed that the formation of FDC depended on two key factors: the potential difference between CuAl{sub 2} intermetallic and α-Al phase of dual-phase Cu-Al alloys; a replacement reaction that usually occurs in multiphase solution. The electrochemical experiment further proved that the multi-branch dendritic structure is very beneficial to the proton transfer in the process of catalyzing methanol.

  8. Numerical analysis of air effect on the powder flow dynamics in the FT4 Powder Rheometer

    Directory of Open Access Journals (Sweden)

    Nan Wenguang

    2017-01-01

    Full Text Available The FT4 powder rheometer of Freeman Technology is widely used nowadays in industry for characterisation of particle flow under dynamic conditions of shear strain rate. It measures the work (termed flow energy required to penetrate a rotating impeller into a powder bed. However, little is known about its underlying powder mechanics, i.e. the relationship between the flow energy and the prevailing local shear stress. This has recently been studied, but only for very simple and ideal systems amenable to analysis by DEM. We analyse the effect of gas flow through the powder bed on the flow behaviour of cohesionless particles in FT4 by DEM-CFD simulation. The results show that the relative particle velocities induced by the mean shear speed, is of the same order as that produced by the root of granular temperature. The shear stress in both cases with and without gas flow could be quantified by the inertial number. The flow energy correlates well with the shear stress in front of the blade, and both increase with the inertial number and could be significantly reduced by the upward gas flow.

  9. FT-IR and X-ray spectroscopic investigations of Na-diclofenac-cyclodextrins interactions

    Science.gov (United States)

    Bratu, I.; Astilean, S.; Ionesc, Corina; Indrea, E.; Huvenne, J. P.; Legrand, P.

    1998-01-01

    The association of DCF-Na (the salt of the 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid) with β-CD (cyclodextrin) in some therapeutic formulas can contribute to the optimisation of the physico-chemical and pharmaceutical properties of the parent drug. The understanding of the interaction between DCF with β-CD represents the objective of this study. FT-IR spectroscopy is one of the methods which clarify the nature of these interactions in complexes of such type. Therefore the changes in FT-IR spectra of binary dispersed systems DCF/ β-CD in physical mixture and coprecipitate from methanol (molar ratios: 1/1, 1/2, 2/3, 3/4, 7/4) were analysed. The analysis of the broadening of the X-ray powder diffraction line has been applied to investigate the average effective crystallite size, the mean square of the microstrain caused by distortions within β-CD crystallite and the fault probability in the binary dispersed DCF/ β-CD coprecipitate system.

  10. FT-IR microspectroscopy in rapid identification of bacteria in pure and mixed culture

    Science.gov (United States)

    Fontoura, Inglid; Belo, Ricardo; Sakane, Kumiko; Cardoso, Maria Angélica Gargione; Khouri, Sônia; Uehara, Mituo; Raniero, Leandro; Martin, Airton A.

    2010-02-01

    In recent years FT-IR microspectroscopy has been developed for microbiology analysis and applied successfully in pure cultures of microorganisms to rapidly identify strains of bacteria, yeasts and fungi. The investigation and characterization of microorganism mixed cultures is also of growing importance, especially in hospitals where it is common to poly-microbial infections. In this work, the rapid identification of bacteria in pure and mixed cultures was studied. The bacteria were obtained from the Institute Oswaldo Cruz culture collection at Brazil. Escherichia coli ATCC 10799 and Staphylococcus aureus ATCC 14456 were analyzed, 3 inoculations were examined in triplicate: Escherichia coli, Staphylococcus aureus and a mixed culture of them. The inoculations were prepared according to McFarland 0.5, incubated at 37 ° C for 6 hours, diluted in saline, placed in the CaF2 window and store for one hour at 50°C to obtain thin film. The measurement was performed by Spectrum Spotlight 400 (Perkin-Elmer) equipment in the range of 4000-900 cm-1, with 32 scans using a transmittance technique with point and image modes. The data were processed (baseline, normalization, calculation of first derivate followed by smoothing with 9 point using a Savitzky-Golay algorithm) and a cluster analysis were done by Ward's algorithm and an excellent discrimination between pure and mixed culture was obtained. Our preliminary results indicate that the FT-IR microspectroscopy associated with cluster analysis can be used to discriminate between pure and mixed culture.

  11. NIR-FT-Raman spectroscopic studies of hexammine and pentammine chromium(III) complexes

    Science.gov (United States)

    Chen, Yuying; Christensen, Daniel H.; Sørensen, Georg O.; Nielsen, Ole Faurskov; Jacobsen, Claus J. H.; Hyldtoft, Jens

    1994-03-01

    The NIR-FT-Raman spectra are presented for the hexammine [Cr(NH 3) 6]X 3 (where X = Br -, NO -3), pentamminechloro [Cr(NH 3) 5Cl]X 2 (where X = Cl -, ClO -4), and pentammineaqua [Cr(NH 3) 5(H 2O)]X 3 (where X = ClO -4, CF 3SO -3) chromium(III) complexes. The NIR-FT-Raman spectra, with an excitation wavelength of 1064 nm, were obtained at room temperature without problems from the strongly colored samples, which often cause problems with excitation by lasers in the visible region. All the Raman frequencies observed from the complexes have been assigned to the skeleton vibrational region from 100 to 600 cm -1. The symmetry and the general valence force constants for the bonds chromium(III)nitrogen, chromium(III)oxygen and chromium(III)chloro have been obtained. The nature of the metalligand bond between chromium(III) ammine complexes has been compared with recent results obtained for similar cobalt(III) ammine complexes.

  12. Determination of the Mechanical Properties of Rubber by FT-NIR

    Directory of Open Access Journals (Sweden)

    Rattapol Pornprasit

    2016-01-01

    Full Text Available Mechanical tests, for example, tensile and hardness tests, are usually used to evaluate the properties of rubber materials. In this work, mechanical properties of selected rubber materials, that is, natural rubber (NR, styrene butadiene rubber (SBR, nitrile butadiene rubber (NBR, and ethylene propylene diene monomer (EPDM, were evaluated using a near infrared (NIR spectroscopy technique. Here, NR/NBR and NR/EPDM blends were first prepared. All of the samples were then scanned using a FT-NIR spectrometer and fitted with an integration sphere working in a diffused reflectance mode. The spectra were correlated with hardness and tensile properties. Partial least square (PLS calibration models were built from the spectra datasets with preprocessing techniques, that is, smoothing and second derivative. This indicated that reasonably accurate models, that is, with a coefficient of determination [R2] of the validation greater than 0.9, could be achieved for the hardness and tensile properties of rubber materials. This study demonstrated that FT-NIR analysis can be applied to determine hardness and tensile values in rubbers and rubber blends effectively.

  13. High pressure FT-IR spectroscopy for biomedical and cancer research

    Science.gov (United States)

    Wong, Patrick T. T.

    1994-07-01

    By resolving technical and methodological problems, we are now able to obtain extremely high quality infrared spectra of animal and human tissues and cells as a function of pressure. This allows us to analyze the spectra in great details in terms of structural and dynamic properties at the molecular level in a wide range of biological and biomedical problems. For instance, in our cancer research we found that many structural modifications of cellular molecules in the malignant transformation are common to all the cancers that we have studied to data. Recently, large scale evaluation of the use of high-pressure FT-IR spectroscopy for the prescreening of cancer as well as preinvasive lesions of the cervix has been initiated in our laboratory. In order to optimize the specificity of the FT-IR technology for cervical screening, we have systematically studied and analyzed the high-pressure infrared spectra of individual abnormal lessons of the cervix. The results of one of these studies, differentiation between malignancy and inflammation in the human uterine cervix are given in this paper.

  14. Application of FT-IR spectroscopy to assess physiological stress in rugby players during fatigue test

    Directory of Open Access Journals (Sweden)

    Paulo Cesar Caetano Júnior

    Full Text Available AbstractIntroduction: The diagnosis based on salivary biomarkers provides information about the physiological condition. However, the clinical trials used to analyze these biomarkers are relatively expensive and laborious. Thus, the purpose of this study was to identify the physiological stress in players using Fourier transform infrared spectroscopy (FT-IR. Methods Thirteen male rugby players were submitted to the treadmill fatigue test and saliva collections were performed before and immediately after test. The FT-IR spectra of saliva samples were analyzed by the second derivative and cluster analysis. Results From the results of cluster analysis were possible to discriminate the spectra of saliva before and after physical effort using the spectral region between 1490 to 1420 cm–1. Only the saliva spectra from two players were not discriminated in pre-exercise group and post-exercise group, which are in agreement with lowest value of heart rates. Conclusion The second derivative showed differences between the average spectra of saliva samples collected pre and post-test, which explain the spectra discrimination by the cluster analysis using a specific infrared region for the identification of physiological stress.

  15. Discrimination of Corsican honey by FT-Raman spectroscopy and chemometrics

    Directory of Open Access Journals (Sweden)

    Fernández Pierna, JA.

    2011-01-01

    Full Text Available Honey is a complex and challenging product to analyze due mainly to its composition consisting on various botanical sources. The discrimination of the origin of honey is of prime importance in order to reinforce the consumer trust in this typical food product. But this is not an easy task as usually no single chemical or physical parameter is sufficient. The aim of our paper is to investigate whether FT-Raman spectroscopy as spectroscopic fingerprint technique combined with some chemometric tools can be used as a rapid and reliable method for the discrimination of honey according to their source. In addition to that, different chemometric models are constructed in order to discriminate between Corsican honeys and honey coming from other regions in France, Italy, Austria, Germany and Ireland based on their FT-Raman spectra. These regions show a large variation in their plants. The developed models include the use of exploratory techniques as the Fisher criterion for wavenumber selection and supervised methods as Partial Least Squares-Discriminant Analysis (PLS-DA or Support Vector Machines (SVM. All these models showed a correct classification ratio between 85% and 90% of average showing that Raman spectroscopy combined to chemometric treatments is a promising way for rapid and non-expensive discrimination of honey according to their origin.

  16. FT-IR Microscopy Of Biomineralization At 20µ Spatial Resolution

    Science.gov (United States)

    Mendelsohn, Richard; Hassankhani, Alborz; Pleshko, Nancy; DiCarlo, Edward; Boskey, Adele

    1989-12-01

    FT-IR microscopy offers certain advantages for the study of normal and pathological biomineralizing tissue samples. These include the identification and quantitation of the mineral phase and the determination of the secondary structure of the protein constituents. A drawback of the method is difficulty in interpretation of spectra from samples containing unknown quantities of unknown constituents. We have circumvented this problem by studying the main components of mineralizing tissue, collagen (95% of the protein phase) and hydroxyapatite (main mineral constituent) whose strongest IR bands absorb in relatively clean spectral regions. Samples were prepared for IR microscopy by surgical removal of tissue, fixation in formalin or ethanol, embedding in PMMA or epoxy, and the microtoming of thin (5-8μ) sections. Bulk embedding agent was mostly removed with methyl acetate. The sample was squeezed between BaF2 windows for IR studies. Any remaining PMMA or epoxy was removed by spectral subtraction. To evaluate the utility of FT-IR microscopy for study of biomineralization, two systems were examined:

  17. FT-IR microspectroscopy characterization of supports for enzyme immobilization in biosensing applications

    Science.gov (United States)

    Portaccio, M.; Della Ventura, B.; Gabrovska, K.; Marinov, I.; Godjevargova, T.; Mita, D. G.; Lepore, M.

    2010-04-01

    The investigation of materials suitable for enzyme immobilization in biosensing applications has a widespread interest. There are many studies on physico-chemical properties of these materials at macroscopic level but few studies have been devoted to examine and correlate these properties at microscopic level. FT-IR spectroscopy with Micro-Attenuated Total Reflection (Micro-ATR) approach can be extremely useful for understanding a variety of aspects of materials which can be used for optimising immobilization procedures. Moreover, this experimental approach is particularly simple to use (no sample preparation is required) and minimally invasive. Using a Perkin Elmer Spectrum One FT-IR spectrometer equipped with a mercury-cadmium-telluride detector and a micro-ATR element we investigated different materials used for immobilization procedures with various enzymes widely used for biosensing in environmental and clinical applications. In particular, composite membranes constituted by a chemically modified poly-acrylonitrile (PAN) membrane plus layers of tethered chitosan of different molecular weight have been examined. Also silica gel matrices without and with glucose oxidase have been investigated. Spectra have been analysed and the contribution of principal functional groups has been evidenced.

  18. Chemical fingerprinting of Arabidopsis using Fourier transform infrared (FT-IR) spectroscopic approaches.

    Science.gov (United States)

    Gorzsás, András; Sundberg, Björn

    2014-01-01

    Fourier transform infrared (FT-IR) spectroscopy is a fast, sensitive, inexpensive, and nondestructive technique for chemical profiling of plant materials. In this chapter we discuss the instrumental setup, the basic principles of analysis, and the possibilities for and limitations of obtaining qualitative and semiquantitative information by FT-IR spectroscopy. We provide detailed protocols for four fully customizable techniques: (1) Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS): a sensitive and high-throughput technique for powders; (2) attenuated total reflectance (ATR) spectroscopy: a technique that requires no sample preparation and can be used for solid samples as well as for cell cultures; (3) microspectroscopy using a single element (SE) detector: a technique used for analyzing sections at low spatial resolution; and (4) microspectroscopy using a focal plane array (FPA) detector: a technique for rapid chemical profiling of plant sections at cellular resolution. Sample preparation, measurement, and data analysis steps are listed for each of the techniques to help the user collect the best quality spectra and prepare them for subsequent multivariate analysis.

  19. Estimating cocoa bean parameters by FT-NIRS and chemometrics analysis.

    Science.gov (United States)

    Teye, Ernest; Huang, Xingyi; Sam-Amoah, Livingstone K; Takrama, Jemmy; Boison, Daniel; Botchway, Francis; Kumi, Francis

    2015-06-01

    Rapid analysis of cocoa beans is an important activity for quality assurance and control investigations. In this study, Fourier transform near infrared spectroscopy (FT-NIRS) and chemometric techniques were attempted to estimate cocoa bean quality categories, pH and fermentation index (FI). The performances of the models were optimised by cross-validation and examined by identification rate (%), correlation coefficient (Rpre) and root mean square error of prediction (RMSEP) in the prediction set. The optimal identification model by back propagation artificial neural network (BPANN) was 99.73% at 5 principal components. The efficient variable selection model derived by synergy interval back propagation artificial neural network regression (Si-BPANNR) was superior for pH and FI estimation. Si-BPANNR model for pH was Rpre=0.98 and RMSEP=0.06, while for FI was Rpre=0.98 and RMSEP=0.05. The results demonstrated that FT-NIRS together with BPANN and Si-BPANNR model could successfully be used for cocoa beans examination. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. The Cloning and Functional Characterization of Peach CONSTANS and FLOWERING LOCUS T Homologous Genes PpCO and PpFT.

    Directory of Open Access Journals (Sweden)

    Xiang Zhang

    Full Text Available Flowering is an essential stage of plant growth and development. The successful transition to flowering not only ensures the completion of plant life cycles, it also serves as the basis for the production of economically important seeds and fruits. CONSTANS (CO and FLOWERING LOCUS T (FT are two genes playing critical roles in flowering time control in Arabidopsis. Through homology-based cloning and rapid-amplifications of cDNA ends (RACE, we obtained full-lengths cDNA sequences of Prunus persica CO (PpCO and Prunus persica FT (PpFT from peach (Prunus persica (L. Batsch and investigated their functions in flowering time regulation. PpCO and PpFT showed high homologies to Arabidopsis CO and FT at DNA, mRNA and protein levels. We showed that PpCO and PpFT were nucleus-localized and both showed transcriptional activation activities in yeast cells, consistent with their potential roles as transcription activators. Moreover, we established that the over-expression of PpCO could restore the late flowering phenotype of the Arabidopsis co-2 mutant, and the late flowering defect of the Arabidopsis ft-1 mutant can be rescued by the over-expression of PpFT, suggesting functional conservations of CO and FT genes in peach and Arabidopsis. Our results suggest that PpCO and PpFT are homologous genes of CO and FT in peach and they may function in regulating plant flowering time.

  1. The effect of nano-TiO2 photocatalysis on the antioxidant activities of Cu, Zn-SOD at physiological pH.

    Science.gov (United States)

    Zheng, Wen; Zou, Hai-Feng; Lv, Shao-Wu; Lin, Yan-Hong; Wang, Min; Yan, Fei; Sheng, Ye; Song, Yan-Hua; Chen, Jie; Zheng, Ke-Yan

    2017-09-01

    Security issues of nanoparticles on biological toxicity and potential environmental risk have attracted more and more attention with the rapid development and wide applications of nanotechnology. In this work, we explored the effect and probable mechanism of nano-TiO 2 on antioxidant activity of copper, zinc superoxide dismutase (Cu, Zn-SOD) under natural light and mixed light at physiological pH. Nano-TiO 2 was prepared by sol-hydrothermal method, and then characterized by X-ray Diffraction (XRD) and Transmission electron micrographs (TEM). The Cu, Zn-SOD was purified by sephadex G75 chromatography and qualitatively analyzed by sodium dodecyl sulfate polypropylene amide gel electrophoresis (SDS-PAGE). The effect and mechanism were elucidated base on Fourier Transform Infrared Spectrometer (FT-IR), Circular Dichroism (CD), zeta potential, and electron spin resonance (ESR) methods. Accompanying the results of FT-IR, CD and zeta potential, it could be concluded that nano-TiO 2 had no effect on the antioxidant activity of Cu, Zn-SOD by comparing the relative activity under natural light at physiological pH. But the relative activity of Cu, Zn-SOD significantly decreased along with the increase of nano-TiO 2 concentration under the mixed light. The results of ESR showed the cause of this phenomenon was the Cu(II) in the active site of Cu, Zn-SOD was reduced to Cu(I) by H 2 O 2 and decreased the content of active Cu, Zn-SOD. The reduction can be inhibited by catalase. Excess O 2 ·- produced by nano-TiO 2 photocatalysis under mixed light accumulated a mass of H 2 O 2 through disproportionation reaction in this experimental condition. The results show that nano-TiO 2 cannot affect the antioxidant activity of Cu, Zn-SOD in daily life. The study on the effect of nano-TiO 2 on Cu, Zn-SOD will provide a valid theory support for biological safety and the toxicological effect mechanism of nanomaterials on enzyme. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. A Ratiometric Fluorescence Universal Platform Based on N, Cu Codoped Carbon Dots to Detect Metabolites Participating in H2O2-Generation Reactions.

    Science.gov (United States)

    Ma, Yunsu; Cen, Yao; Sohail, Muhammad; Xu, Guanhong; Wei, Fangdi; Shi, Menglan; Xu, Xiaoman; Song, Yueyue; Ma, Yujie; Hu, Qin

    2017-09-27

    In this work, a new kind of N, Cu codoped carbon dots (N/Cu-CDs) was prepared via a facile one-pot hydrothermal method by using citric acid monohydrate, copper acetate monohydrate and diethylenetriamine. The prepared N/Cu-CDs with a high quantum yield (50.1%) showed excitation-independent emission at 460 nm. The structure and fluorescence properties of N/Cu-CDs were characterized by high-resolution transmission electron microscopy, fluorescence spectrofluorometer, FT-IR spectrometer, UV-visible spectrophotometer and X-ray photoelectron spectroscopy. N/Cu-CDs were applied to establishing a ratiometric fluorescence probe toward H 2 O 2 based on the inner filter effect (IFE) between N/Cu-CDs and DAP (2,3-diaminophenazine, the oxidative product of o-phenylenediamine (OPD)), and provided a ratiometric fluorescence universal platform for detection of the metabolites participating in H 2 O 2 -generation reactions (cholesterol and xanthine). The proposed method was demonstrated to be ultrasensitive and highly selective for cholesterol and xanthine assay with detection limits of 0.03 and 0.10 μM, respectively. The fluorescence probe built was applied to the determination of cholesterol and xanthine in human serum with satisfactory results.

  3. Iotron development of Cu67 radioisotope

    Energy Technology Data Exchange (ETDEWEB)

    Ehst, David A. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-10-31

    The collaboration has developed a method of producing the Cu-67 medical isotope for beta therapy of cancers such as non-Hodgkins melanoma. In particular we have used electron linac production of intense gamma ray beams to convert Zn-68 into Cu-67 in metal targets. The targets are subsequently processed by separating the Cu isotope from the Zn metal using sublimation, with ceramic components to avoid contamination of the final product.

  4. Frequency standards

    CERN Document Server

    Riehle, Fritz

    2006-01-01

    Of all measurement units, frequency is the one that may be determined with the highest degree of accuracy. It equally allows precise measurements of other physical and technical quantities, whenever they can be measured in terms of frequency.This volume covers the central methods and techniques relevant for frequency standards developed in physics, electronics, quantum electronics, and statistics. After a review of the basic principles, the book looks at the realisation of commonly used components. It then continues with the description and characterisation of important frequency standards

  5. Application of e-beam welding in W/Cu divertor project for EAST

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wanjing, E-mail: wjwang@ipp.ac.cn [Institute of Plasma Physics, Chinese Academy of Sciences (ASIPP), Hefei, Anhui (China); Li, Qiang; Zhao, Sixiang; Xu, Yue; Wei, Ran; Cao, Lei; Yao, Damao [Institute of Plasma Physics, Chinese Academy of Sciences (ASIPP), Hefei, Anhui (China); Qin, Sigui; Peng, Lingjian; Shi, Yingli; Pan, Ningjie; Liu, Guohui [Advanced Technology and Materials Company - AT& M, Beijing (China); Li, Hui [Beijing Zhongke Electric Co. Ltd., Beijing (China); Luo, Guang-Nan [Institute of Plasma Physics, Chinese Academy of Sciences (ASIPP), Hefei, Anhui (China)

    2015-10-15

    Highlights: • To develop the actively cooled W/Cu components, we have to meet the application of EBW. • In this work, the microstructure of the fusion zone and the mechanical properties of Cu−Cu and Cu−Ni joint welded by EBW have been investigated. • In the practice of quality control, it was found that under present standard the helium leak detection is unreliable. Thus the UT has been introduced and the premier results have shown it's effective. • In addition, the control of configuration tolerance has also been investigated. And a solidified welding procedure with jigs was established before the batch production. - Abstract: In the development of EAST actively cooled W/Cu components, the ITER-grade CuCrZr has been chosen as the heat sink material for its good thermomechanics properties. To realize the seal joint of the heat sink, a large number of electron beam welding (EBW) of CuCrZr/CuCrZr or CuCrZr/Inconel625 has been carried out. In the quality control of the W/Cu components, the helium leak detection at thermal condition has been performed on the entire components before delivery. However, in the operation of EAST device some micro leak on the components was detected indicating that the helium leak detection under present standard was unreliable for the quality control. Therefore, the ultrasonic non-destructive testing technique was introduced to exclude the defects. In addition, the welding shrinkage and bending has also been investigated to meet the required tight tolerances for plasma-facing components in vacuum vessel.

  6. Spatial part-set cuing facilitation.

    Science.gov (United States)

    Kelley, Matthew R; Parasiuk, Yuri; Salgado-Benz, Jennifer; Crocco, Megan

    2016-07-01

    Cole, Reysen, and Kelley [2013. Part-set cuing facilitation for spatial information. Journal of Experimental Psychology: Learning, Memory, & Cognition, 39, 1615-1620] reported robust part-set cuing facilitation for spatial information using snap circuits (a colour-coded electronics kit designed for children to create rudimentary circuit boards). In contrast, Drinkwater, Dagnall, and Parker [2006. Effects of part-set cuing on experienced and novice chess players' reconstruction of a typical chess midgame position. Perceptual and Motor Skills, 102(3), 645-653] and Watkins, Schwartz, and Lane [1984. Does part-set cuing test for memory organization? Evidence from reconstructions of chess positions. Canadian Journal of Psychology/Revue Canadienne de Psychologie, 38(3), 498-503] showed no influence of part-set cuing for spatial information when using chess boards. One key difference between the two procedures was that the snap circuit stimuli were explicitly connected to one another, whereas chess pieces were not. Two experiments examined the effects of connection type (connected vs. unconnected) and cue type (cued vs. uncued) on memory for spatial information. Using chess boards (Experiment 1) and snap circuits (Experiment 2), part-set cuing facilitation only occurred when the stimuli were explicitly connected; there was no influence of cuing with unconnected stimuli. These results are potentially consistent with the retrieval strategy disruption hypothesis, as well as the two- and three-mechanism accounts of part-set cuing.

  7. CRISPR/Cas9-mediated targeted mutagenesis of GmFT2a delays flowering time in soya bean.

    Science.gov (United States)

    Cai, Yupeng; Chen, Li; Liu, Xiujie; Guo, Chen; Sun, Shi; Wu, Cunxiang; Jiang, Bingjun; Han, Tianfu; Hou, Wensheng

    2018-01-01

    Flowering is an indication of the transition from vegetative growth to reproductive growth and has considerable effects on the life cycle of soya bean (Glycine max). In this study, we employed the CRISPR/Cas9 system to specifically induce targeted mutagenesis of GmFT2a, an integrator in the photoperiod flowering pathway in soya bean. The soya bean cultivar Jack was transformed with three sgRNA/Cas9 vectors targeting different sites of endogenous GmFT2a via Agrobacterium tumefaciens-mediated transformation. Site-directed mutations were observed at all targeted sites by DNA sequencing analysis. T1-generation soya bean plants homozygous for null alleles of GmFT2a frameshift mutated by a 1-bp insertion or short deletion exhibited late flowering under natural conditions (summer) in Beijing, China (N39°58', E116°20'). We also found that the targeted mutagenesis was stably heritable in the following T2 generation, and the homozygous GmFT2a mutants exhibited late flowering under both long-day and short-day conditions. We identified some 'transgene-clean' soya bean plants that were homozygous for null alleles of endogenous GmFT2a and without any transgenic element from the T1 and T2 generations. These 'transgene-clean' mutants of GmFT2a may provide materials for more in-depth research of GmFT2a functions and the molecular mechanism of photoperiod responses in soya bean. They will also contribute to soya bean breeding and regional introduction. © 2017 The Authors. Plant Biotechnology Journal published by Society for Experimental Biology and The Association of Applied Biologists and John Wiley & Sons Ltd.

  8. Lack of Association between Cu T-380A Intrauterine Device and Secondary Infertility in Iran

    Science.gov (United States)

    Abdinasab, Mahnaz; Dehghani Firouzabadi, Razieh; Farajkhoda, Tahmineh; Abdoli, Ali Mohammad

    2017-01-01

    Background The appropriate choice of a contraceptive method has been a major issue in reproductive health research. Cu T intrauterine device (Cu T IUD) has been introduced as one of the most effective contraceptive methods in the world, however, the relationship between prior use of Cu T IUD and secondary infertility has not been evaluated in Iran. To examine the association of Cu T-380A IUD and secondary infertility in Iran. Materials and Methods A retrospective cohort study was conducted from December 2010 to September 2011 in the Research and Clinical Center for Infertility, Shahid Sadoughi University of Medical Sciences, Yazd, Iran. A total of 750 married women (15-49 years old) with at least one parity, whom were referred to four educational healthcare centers of Shahid Sadoughi University of Medical Sciences, were selected as participants. They were divided into two groups (case and control) based on previous history of using Cu T-380A IUD. Data were gathered using a standard reliable questionnaire along with a face-to-face interview and were analyzed with descriptive and analytical (χ²) tests. Results Mean period of Cu T-380A IUD usage in the case group was 57.46 ± 47.74 months and mean time length from Cu T-380A IUD removal to pregnancy was 14.87 ± 5.18 months in this group. We observed no relationship between the use of Cu T-380A IUD and frequency of secondary infertility (3.5% in the case group versus 2.7% in the control group, P=0.52). Conclusion Given the relatively large sample size studied here, it is unlikely that Cu T-380A IUD results in secondary infertility and may be used by Iranian women as a safe contraceptive method. PMID:28042414

  9. Synthesis, Characterization and Catalytic Activity of Cu/Cu2O Nanoparticles Prepared in Aqueous Medium

    Directory of Open Access Journals (Sweden)

    Sayed M. Badawy

    2015-07-01

    Full Text Available Copper/Copper oxide (Cu/Cu2O nanoparticles were synthesized by modified chemical reduction method in an aqueous medium using hydrazine as reducing agent and copper sulfate pentahydrate as precursor. The Cu/Cu2O nanoparticles were characterized by X-ray Diffraction (XRD, Energy Dispersive X-ray Fluorescence (EDXRF, Scanning Electron Microscope (SEM, and Transmission Electron Microscope (TEM. The analysis revealed the pattern of face-centered cubic (fcc crystal structure of copper Cu metal and cubic cuprites structure for Cu2O. The SEM result showed monodispersed and agglomerated particles with two micron sizes of about 180 nm and 800 nm, respectively. The TEM result showed few single crystal particles of face-centered cubic structures with average particle size about 11-14 nm. The catalytic activity of Cu/Cu2O nanoparticles for the decomposition of hydrogen peroxide was investigated and compared with manganese oxide MnO2. The results showed that the second-order equation provides the best correlation for the catalytic decomposition of H2O2 on Cu/Cu2O. The catalytic activity of hydrogen peroxide by Cu/Cu2O is less than the catalytic activity of MnO2 due to the presence of copper metal Cu with cuprous oxide Cu2O. © 2015 BCREC UNDIP. All rights reservedReceived: 6th January 2015; Revised: 14th March 2015; Accepted: 15th March 2015How to Cite: Badawy, S.M., El-Khashab, R.A., Nayl, A.A. (2015. Synthesis, Characterization and Catalytic Activity of Cu/Cu2O Nanoparticles Prepared in Aqueous Medium. Bulletin of Chemical Reaction Engineering & Catalysis, 10 (2: 169-174. (doi:10.9767/bcrec.10.2.7984.169-174 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.10.2.7984.169-174  

  10. Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone.

    Science.gov (United States)

    Arockia doss, M; Savithiri, S; Rajarajan, G; Thanikachalam, V; Saleem, H

    2015-09-05

    The structural and spectroscopic studies of 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone (PDPOSC) were made by adopting B3LYP/HF levels theory using 6-311++G(d,p) basis set. The FT-IR and Raman spectra were recorded in solid phase, the fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. DFT method indicates that B3LYP is superior to HF method for molecular vibrational analysis. UV-vis spectrum of the compound was recorded in different solvents in the region of 200-800 nm and the electronic properties such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies were evaluated by time-dependent DFT (TD-DFT) approach. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The hyperconjugative interaction energy (E((2))) and electron densities of donor (i) and acceptor (j) bonds were calculated using NBO analysis. In addition, MEP and atomic charges of carbon, nitrogen and oxygen were calculated using B3LYP/6-311++G(d,p) level theory. Moreover, thermodynamic properties of the title compound were calculated by B3LYP/HF, levels using 6-311++G(d,p) basis set. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Relevant Standards

    Indian Academy of Sciences (India)

    .86: Ethernet over LAPS. Standard in China and India. G.7041: Generic Framing Procedure (GFP). Supports Ethernet as well as other data formats (e.g., Fibre Channel); Protocol of ... IEEE 802.3x for flow control of incoming Ethernet data ...

  12. Magnetic properties in a partially oxidized nanocomposite of Cu-CuCl

    International Nuclear Information System (INIS)

    Li Qi; Zhang Shiwei; Zhang Yan; Chen Chinping

    2006-01-01

    Magnetism of a very thin antiferromagnetic (AFM) surface CuO has been investigated with partially oxidized nanocomposites of Cu-CuCl, ∼200 nm. The samples are characterized by x-ray diffraction, x-ray photoelectron spectroscopy, x-ray-excited Auger electron spectroscopy, transmission electron microscopy and magnetic measurements. The characterizations indicate that the composites have a core-shell structure. Before oxidation, it is (Cu) core /(CuCl) shell , and after oxidation it is (Cu) core /(Cu 2 O+CuCl+minute CuO) shell . The magnetic measurements have revealed that a ferromagnetic (FM)-like open hysteresis exists at temperatures below the freezing point, T F . In the high field region, a paramagnetic (PM) response appears without showing any sign of saturation. Also, the field dependent magnetization (M-H) measurement is PM-like at T>T F . These interesting magnetic properties are shown to arise from the AFM CuO on the outer surface. They are attributed to the uncompensated surface spins of Cu 2+ and the effect of random surface potential. More interestingly, the magnetic susceptibility is greatly enhanced in the presence of Cl - anions at T F , according to the field-cooled/zero-field-cooled (FC/ZFC) measurements. This further supports the point that the disorder or frustration effect of the impurity would reduce the AFM ordering of CuO and increase the level of uncompensated spins

  13. Cu clustering stage before the crystallization in Fe-Si-B-Nb-Cu amorphous alloys

    DEFF Research Database (Denmark)

    Ohnuma, M.; Hono, K.; Onodera, H.

    1999-01-01

    The Cu clustering stage before the crystallization of Fe-Si-B-Nb-Cu amorphous alloys have been studied by three dimensional atom probe (3DAP) small-angle neutron scattering (SANS) and high sensitive differential calorimetry (DSC). Cu clustering occurs prior to the onset of the primary...

  14. Giant Cu 2p Resonances in CuO Valence-Band Photoemission

    NARCIS (Netherlands)

    Tjeng, L.H.; Chen, C.T.; Ghijsen, J.; Rudolf, P.; Sette, F.

    1991-01-01

    We report the observation of a giant resonance in the Cu 2p resonant-photoemission spectra of CuO. The study allows the unambiguous identification of the local Cu 3d8 configuration in the valence-band photoemission spectrum, providing conclusive evidence for the charge-transfer nature of the

  15. Phase relationships in Cu-rich corner of the Cu-Cr-Zr phase diagram

    International Nuclear Information System (INIS)

    Zeng, K.J.; Haemaelaeinen, M.; Lilius, K.

    1995-01-01

    In the available experimental information on the Cu-Cr-Zr ternary system, there exist different opinions concerning the phase relationships in the Cu-rich corner of Cu-Cr-Zr phase diagram. Glazov et al. and Zakharov et al. investigated the Cu-rich corner of the Cu-Cr-Zr phase diagram within the composition range up to 3.5 Cr and 3.5 Zr (wt. %). A quasi-eutectic reaction L → (Cu) + αCr 2 Zr was observed to occur at 1,020 C and several isothermal sections were constructed within the temperature range from 600 to 1,000 C to show the (Cu)-αCr 2 Zr two phase equilibrium. Therefore, a pseudobinary Cu-Cr 2 Zr system was supposed. Afterwards, Dawakatsu et al, Fedorov et al, and Kuznetsov et al studied the cu-rich corner of the phase diagram in a wider composition range up to 5 Cr and 20 Zr (at.%). Contrary to Glazov et al. and Zakharov et al., they found no Cr 2 Zr phase in their samples. Hence, the pseudobinary Cu-Cr 2 Zr system does not exist. In this study an experimental investigation is presented on the phase relationships in Cu-rich corner of the Cu-Cr-Zr phase diagram at 940 C in order to clear up the confusion

  16. Coupled growth of Al-Al2Cu eutectics in Al-Cu-Ag alloys

    International Nuclear Information System (INIS)

    Hecht, U; Witusiewicz, V; Drevermann, A

    2012-01-01

    Coupled eutectic growth of Al and Al 2 Cu was investigated in univariant Al-Cu-Ag alloys during solidification with planar and cellular morphology. Experiments reveal the dynamic selection of small spacings, below the minimum undercooling spacing and show that distinct morphological features pertain to nearly isotropic or anisotropic Al-Al 2 Cu interfaces.

  17. Life Cycle Analysis of the Production of FT-Fuels. 4 Different Scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Blinge, M. [Chalmers University of Technology (Sweden); Rehnlund, B. [Atrax Energi AB (Sweden); Larsen, U.; Lundorf, P.; Ivarsson, A.; Schramm, J. [Technical University of Denmark (Denmark)

    2006-11-15

    This paper deals with aspects concerning the life cycle aspects regarding Fischer-Tropsch (FT) fuels. Four different scenarios are being analysed based on Life Cycle Assessment (LCA) figures. The results etc presented below emanates from a project undertaken by the International Energy Agency's (IEA) Implementing Agreement on Advanced Motor Fuels (IEA/AMF). The project has been carried out as an IEA/AMF annex, number XXXI, with financial support from the USA, Finland and Denmark. Some important results from the scenario studies based on the evaluated LCA data are: Production and use of GTL fuel has the potential of contributing about the same or slightly less greenhouse gas to the atmosphere than production and use of conventional diesel; Production and use of CTL emits more than twice as much greenhouse gases compared to traditional fuels; Production and use of BTL reduces the emissions of greenhouse gases by 60-90 %; To substitute 15 % of the EU 15 countries fuel consumption would an area of 310 000 km2 be cultivated with Salix. This corresponds to an area of the size of Poland. It would also require 122 FTplants of 1,6 GW; Theoretically, it is possible supply the worlds need for energy with biomass. However, planning the production, the localization of plants, building the infrastructure, this will take time and requires heavy long-term investments; The demand for Natural gas is increasing and there is no way for the US to meet an increased demand from supplying the vehicle fleet with F-T fuels from domestic reserves. With the political situation in the Middle East and in Venezuela, it doesn't seem likely that this solution will ease the US problems with reducing their oil dependences. The IEA/AMF project has also included emission tests on road vehicles fuelled by FT-Gasoline. These tests have been performed by The Technical University of Denmark and will be presented in another presentation at the ISAF XVI, 'Emissions from Road Vehicles Fuelled

  18. Laser Photolytic Approach to Cu/polymer Sols and Cu/polymer Nanocomposites with Amorphous Cu Phase.

    Czech Academy of Sciences Publication Activity Database

    Pola, Josef; Ouchi, A.; Bakardjieva, Snejana; Urbanová, Markéta; Boháček, Jaroslav; Šubrt, Jan

    2007-01-01

    Roč. 192, 2-3 (2007) , s. 84-92 ISSN 1010-6030 Institutional research plan: CEZ:AV0Z40720504; CEZ:AV0Z40320502 Keywords : Cu-polymer nanocomposite * laser solution photolysis * amorphous Cu phase Subject RIV: CH - Nuclear ; Quantum Chemistry Impact factor: 1.911, year: 2007

  19. Radiationless Raman versus Auger behavior at the $Cu L_{3}$ resonance of CuO and $Cu_{2}O$

    CERN Document Server

    Ghiringhelli, G; Ohresser, P; Brookes, N B

    2000-01-01

    We have investigated the behavior of the 2p3p3p and 2p3s3p Auger lines of CuO and Cu/sub 2/O scanning the photon energy across the Cu L/sub 3/ resonance. For both samples, when the excitation energy is below the L/sub 3/ resonance, we observe the 2p3p3p and 2p3s3p peaks at constant binding energy. This behavior is typical of nonradiative resonant Raman scattering. If the photon energy is raised above the L /sub 3/ maximum, the two samples behave in different ways. In CuO, the Auger peaks are always observed at constant binding energy, while in Cu/sub 2/O their kinetic energy first reaches a maximum at correspondence with the absorption threshold, and then stabilizes at a value slightly higher than the off-resonance Auger peaks. These differences are interpreted in terms of the different electronic structure of the Auger intermediate state at resonance. In CuO, the intermediate state corresponds to a single 2p/sub 3/2/ core hole, with the Cu 3d band completely filled. On the contrary, in Cu/sub 2/O the interme...

  20. Antimicrobial Cu-bearing stainless steel scaffolds

    International Nuclear Information System (INIS)

    Wang, Qiang; Ren, Ling; Li, Xiaopeng; Zhang, Shuyuan; Sercombe, Timothy B.; Yang, Ke

    2016-01-01

    Copper-bearing stainless steel scaffolds with two different structures (Body Centered Cubic and Gyroid labyrinth) at two solid fractions (25% and 40%) were fabricated from both 316L powder and a mixture of 316L and elemental Cu powder using selective laser melting, and relative 316L scaffolds were served as control group. After processing, the antimicrobial testing demonstrated that the 316L-Cu scaffolds presented excellent antimicrobial activity against Escherichia coli and Staphylococcus aureus, and the cell viability assay indicated that there was no cytotoxic effect of 316L-Cu scaffolds on rat marrow mesenchymal stem cells. As such, these have the potential to reduce implant-associated infections. The Cu was also found to homogeneously distribute within the microstructure by scanning electronic microcopy. The addition of Cu would not significantly affect its strength and stiffness compared to 316L scaffold, and the stiffness of all the scaffolds (3-20GPa) is similar to that of bone and much less than that of bulk stainless steel. Consequently, fabrication of such low stiffness porous structures, especially coupled with the addition of antimicrobial Cu, may provide a new direction for medical stainless steels. - Highlights: • 316L-Cu scaffolds were fabricated by using selective laser melting (SLM). • 316L-Cu scaffolds showed satisfied antimicrobial activities. • 316L-Cu scaffolds have no cytotoxic effect on normal cells. • Other properties of 316L-Cu scaffolds were similar to 316L scaffolds. • 316L-Cu scaffolds have the potential to be used in orthopedic applications.

  1. Reconstruction from scalar-tensor theory and the inhomogeneous equation of state in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Said, Jackson Levi [University of Malta, Institute of Space Sciences and Astronomy, Msida (Malta); University of Malta, Department of Physics, Msida (Malta)

    2017-12-15

    General relativity (GR) characterizes gravity as a geometric properly exhibited as curvature on spacetime. Teleparallelism describes gravity through torsional properties, and can reproduce GR at the level of equations. Similar to f(R) gravity, on taking a generalization, f(T) gravity can produce various modifications its gravitational mechanism. The resulting field equations are inherently distinct to f(R) gravity in that they are second order. In the present work, f(T) gravity is examined in the cosmological context with a number of solutions reconstructed by means of an auxiliary scalar field. To do this, various forms of the Hubble parameter are considered with an f(T) Lagrangian emerging for each instance. In addition, the inhomogeneous equation of state (EoS) is investigated with a particular Hubble parameter model used to show how this can be used to reconstruct the f(T) Lagrangian. Observationally, the auxiliary scalar field and the exotic terms in the FRW field equations give the same results, meaning that the variation in the Hubble parameter may be interpreted as the need to reformulate gravity in some way, as in f(T) gravity. (orig.)

  2. The Arabidopsis floral repressor BFT delays flowering by competing with FT for FD binding under high salinity.

    Science.gov (United States)

    Ryu, Jae Yong; Lee, Hyo-Jun; Seo, Pil Joon; Jung, Jae-Hoon; Ahn, Ji Hoon; Park, Chung-Mo

    2014-02-01

    Soil salinity is one of the most serious agricultural problems that significantly reduce crop yields in the arid and semi-arid regions. It influences various phases of plant growth and developmental processes, such as seed germination, leaf and stem growth, and reproductive propagation. Salt stress delays the onset of flowering in many plant species. We have previously reported that the Arabidopsis BROTHER OF FT AND TFL1 (BFT) acts as a floral repressor under salt stress. However, the molecular mechanisms underlying the BFT function in the salt regulation of flowering induction is unknown. In this work, we found that BFT delays flowering under high salinity by competing with FLOWERING LOCUS T (FT) for binding to the FD transcription factor. The flowering time of FD-deficient fd-2 mutant was insensitive to high salinity. BFT interacts with FD in the nucleus via the C-terminal domain of FD, which is also required for the interaction of FD with FT, and interferes with the FT-FD interaction. These observations indicate that BFT constitutes a distinct salt stress signaling pathway that modulates the function of the FT-FD module and possibly provides an adaptation strategy that fine-tunes photoperiodic flowering under high salinity.

  3. Non-destructive technique for determining the viability of soybean (Glycine max) seeds using FT-NIR spectroscopy.

    Science.gov (United States)

    Kusumaningrum, Dewi; Lee, Hoonsoo; Lohumi, Santosh; Mo, Changyeun; Kim, Moon S; Cho, Byoung-Kwan

    2018-03-01

    The viability of seeds is important for determining their quality. A high-quality seed is one that has a high capability of germination that is necessary to ensure high productivity. Hence, developing technology for the detection of seed viability is a high priority in agriculture. Fourier transform near-infrared (FT-NIR) spectroscopy is one of the most popular devices among other vibrational spectroscopies. This study aims to use FT-NIR spectroscopy to determine the viability of soybean seeds. Viable and artificial ageing seeds as non-viable soybeans were used in this research. The FT-NIR spectra of soybean seeds were collected and analysed using a partial least-squares discriminant analysis (PLS-DA) to classify viable and non-viable soybean seeds. Moreover, the variable importance in projection (VIP) method for variable selection combined with the PLS-DA was employed. The most effective wavelengths were selected by the VIP method, which selected 146 optimal variables from the full set of 1557 variables. The results demonstrated that the FT-NIR spectral analysis with the PLS-DA method that uses all variables or the selected variables showed good performance based on the high value of prediction accuracy for soybean viability with an accuracy close to 100%. Hence, FT-NIR techniques with a chemometric analysis have the potential for rapidly measuring soybean seed viability. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  4. Coupling catalytic hydrolysis and oxidation of HCN over HZSM-5 modified by metal (Fe,Cu) oxides

    Science.gov (United States)

    Hu, Yanan; Liu, Jiangping; Cheng, Jinhuan; Wang, Langlang; Tao, Lei; Wang, Qi; Wang, Xueqian; Ning, Ping

    2018-01-01

    In this work, a series of metal oxides (Fe,Cu) modified HZSM-5 catalysts were synthesized by incipient-wetness impregnation method and then characterized by XRD, N2 adsorption-desorption, H2-TPR, NH3-TPD, UV-vis, FT-IR and XPS measurements. The catalytic hydrolysis and oxidation behaviors toward HCN were investigated. The results indicated that the Fe-Cu/HZSM-5 catalysts exhibited more excellent performence on coupling catalytic hydrolysis and oxidation of HCN than HZSM-5, Fe/HZSM-5, Cu/HZSM-5, and both nearly 100% HCN conversion and 80% N2 selectivity were obtained at about 250 °C. The improved catalytic performance could be ascribed to the creation of highly dispersed iron and copper composites on the surface of the HZSM-5 support, the excellent redox and regulated acid properties of the active ingredients. Moreover, the highly N2 selectivity could be attributed to the good interaction between the Fe and Cu nanocomposites which was facilitated to the NH3-SCR (selective catalytic reduction of NO by NH3) reaction.

  5. Band structure and phase stability of the copper oxides Cu2O, CuO, and Cu4O3

    Science.gov (United States)

    Heinemann, Markus; Eifert, Bianca; Heiliger, Christian

    2013-03-01

    The p-type semiconductor copper oxide has three distinct phases Cu2O, CuO, and Cu4O3 with different morphologies and oxidation states of the copper ions. We investigate the structural stability and electronic band structure of all three copper oxide compounds using ab initio methods within the framework of density functional theory and consider different exchange correlation functionals. While the local density approximation (LDA) fails to describe the semiconducting states of CuO and Cu4O3, the LDA+U and HSE06 hybrid functional describe both compounds as indirect semiconductors. Using the HSE06 hybrid functional we calculate the electronic band structure in the full Brillouin zone for all three copper oxide compounds.

  6. Facile synthesis of 2D CuO nanoleaves for the catalytic elimination of hazardous and toxic dyes from aqueous phase: a sustainable approach.

    Science.gov (United States)

    Bhattacharjee, Archita; Begum, Shamima; Neog, Kashmiri; Ahmaruzzaman, M

    2016-06-01

    This article reports for the first time a facile, green synthesis of 2D CuO nanoleaves (NLs) using the amino acid, namely aspartic acid, and NaOH by a microwave heating method. The amino acid acts as a complexing/capping agent in the synthesis of CuO NLs. This method resulted in the formation of self-assembled 2D CuO NLs with an average length and width of ~300-400 and ~50-82 nm, respectively. The as-synthesized 2D CuO NLs were built up from the primary CuO nanoparticles by oriented attachment growth mechanism. The CuO NLs were characterized by an X-ray diffraction (XRD) method, transmission electron microscopy (TEM), selected-area electron diffraction (SAED) pattern, and Fourier transform infrared spectroscopy (FT-IR). The optical properties were investigated using UV-visible spectroscopy. For the first time, rose bengal and eosin Y dyes were degraded photochemically by solar irradiation using CuO NLs as a photocatalyst. The synthesized CuO NLs act as an efficient photocatalyst in the degradation of rose bengal and eosin Y dye under direct sunlight. The degradation of both the dyes, namely rose bengal and eosin Y, took place within 120 and 45 min, respectively, using CuO NLs as a photocatalyst, whereas commercial CuO, SnO2 quantum dots (QDs), and commercial SnO2 took more than 120 and 45 min for the degradation of rose bengal and eosin Y, respectively. The synthesized CuO NLs showed a superior photocatalytic activity as compared to that of commercial CuO, SnO2 QDs, and commercial SnO2. The reusability of the CuO NLs as a photocatalyst in the degradation of dyes was investigated, and it was evident that the catalytic efficiency decreases to a small extent (5-6 %) after the fifth cycle of operation.

  7. FT-IR microscopical analysis with synchrotron radiation: The microscope optics and system performance

    International Nuclear Information System (INIS)

    Reffner, J.A.; Martoglio, P.A.; Williams, G.P.

    1995-01-01

    When a Fourier transform infrared (FT-IR) microspectrometer was first interfaced with the National Synchrotron Light Source (NSLS) in September 1993, there was an instant realization that the performance at the diffraction limit had increased 40-100 times. The synchrotron source transformed the IR microspectrometer into a true IR microprobe, providing high-quality IR spectra for probe diameters at the diffraction limit. The combination of IR microspectroscopy and synchrotron radiation provides a powerful new tool for molecular spectroscopy. The ability to perform IR microspectroscopy with synchrotron radiation is still under development at Brookhaven National Laboratory, but several initial studies have been completed that demonstrate the broad-ranging applications of this technology and its potential for materials characterization

  8. A versatile 50 ft-lb-sec reaction wheel for TRMM and XTE missions

    Science.gov (United States)

    Bialke, Bill

    A 50 ft-lb-sec Reaction Wheel is being manufactured by ITHACO, Inc. for NASA's X-ray Timing Explorer (XTE) and Tropical Rainfall Measuring Mission (TRMM) missions, using the same mechanical assemblies as a similar Reaction Wheel developed by ITHACO for the Air Force's Advanced Research and Global Observation Satellite (ARGOS) (P91-1) mission. The versatile design allows variation in motor torque and speed capability with no mechanical modifications. State of the art ball bearing technology is combined with flight proven materials and conventional fabrication techniques to produce a relaible and manufacturable wheel assembly. An ironless armature brushless DC motor is incorporated for high efficiency and minimum weight. Comprehensive tradeoff analyses from the Reaction Wheel development are discussed for each component, and performance characteristics are presented for design variations from a high torque Reaction Wheel used in a three axis stabilized spacecraft to a low torque Momentum Wheel used in a momentum biased attitude Control System.

  9. [Studies of black roller pen inks by NIR FT-Raman spectrometry].

    Science.gov (United States)

    Wang, Z G; Sun, S Q; Zhou, Q; Wang, C H

    2001-12-01

    36 kinds of black roller pen inks collected from Chinese market were analyzed by NIR FT-Raman spectroscopic technique and they were divided into 10 groups (from A to J group) according to their characteristic Raman spectra. Based on studying main component of roller pen inks and peculiarity of Raman spectrum by documents, the main Raman peaks of each group of roller ball inks were interpreted particularly. It have also been investigated that the influence factors from paper matrix, humidity of the samples, laser power and writing time, especially the forth item showed some relationships of the peak intensity ratio with the relative age of inks. This method is speediness, convenience, high sensitivity and no ink-extraction process. The insufficiency of the method is that fluorescence and heat background comes forth when a few samples were irradiated by laser.

  10. Impact Ft-Mw Spectroscopy of Organic Rings: Investigation of the Conformational Landscape

    Science.gov (United States)

    Wachsmuth, Dennis; Grabow, Jens-Uwe; Lesarri, Alberto

    2014-06-01

    Organic rings are common building blocks in biologically active molecules. In contrast to six-membered rings, cycloalkanes with seven or more ring atoms have a less rigid structure which allows for conformational diversity and complex internal dynamics. The broadband itshape in-phase/quadrature-phase-modulation passage-acquired-coherence technique \\upshape (IMPACT) FT-microwave spectroscopy is the ideal experimental method to gain insight into the conformational freedom and structure of these cyclic motifs. The combination of high spectral resolution (tool when it comes to the investigation of fine or hyperfine effects and/or wide tunelling splittings. In this communication we will present the rotational spectra of several organic seven-membered rings, reporting on their conformational preferences and molecular structures.

  11. Influence of Sample Temperature for Measurement Accuracy with FT-NIR Spectroscopy.

    Science.gov (United States)

    Dvořák, Lukáš; Fajman, Martin; Sustova, Kvetoslava

    2017-03-01

    This study monitored the influence of milk samples temperature on the measuring accuracy of FT-NIR spectroscopy in milk content analysis. Reference methods were used to determine dry matter, fat, protein, and lactose content in cow's milk. Milk samples were measured in reflectance mode on an integrating sphere with the use of a compression cuvette and a transflectance cuvette, ensuring a beam trajectory length of h = 0.2 mm. The samples were measured at 18, 20, 22, 24, and 40°C, and analyses were performed at 100 scans at a resolution of 8 cm-1. The measurements were influenced by the temperatures of the samples during the evaluation of all analyzed constituents (P determination of milk constituents requires maintaining, during analysis, the temperature conditions of the samples and the conditions for which the spectrophotometer calibration was designed.

  12. Chemical composition and binary mixture of human urinary stones using FT-Raman spectroscopy method

    Science.gov (United States)

    Selvaraju, R.; Raja, A.; Thiruppathi, G.

    2013-10-01

    In the present study the human urinary stones were observed in their different chemical compositions of calcium oxalate monohydrate, calcium oxalate dihydrate, calcium phosphate, struvite (magnesium ammonium phosphate), uric acid, cystine, oxammite (ammonium oxalate monohydrate), natroxalate (sodium oxalate), glushinkite (magnesium oxalate dihydrate) and moolooite (copper oxalate) were analyzed using Fourier Transform-Raman (FT-Raman) spectroscopy. For the quantitative analysis, various human urinary stone samples are used for ratios calculation of binary mixtures compositions such as COM/COD, HAP/COD, HAP/COD, Uric acid/COM, uric acid/COD and uric acid/HAP. The calibration curve is used for further analysis of binary mixture of human urinary stones. For the binary mixture calculation the various intensities bands at 1462 cm-1 (ICOM), 1473 cm-1 (ICOD), 961 cm-1 (IHAP) and 1282 cm-1 (IUA) were used.

  13. Meat Entree Item Production Guides Developed for Use in Ft. Lee Interim Central Food Preparation Facility

    Science.gov (United States)

    1975-03-01

    454 Col-Flo-67 Starch 0.70 Stock or water, cold 32.96 Pepper, black 0.01 Caramel coloring 0.01 Soup A gravy base, 0*56 beef 0.50 23.50...Type I, Class 1, 2 or 3 8. Flour, wheat, pastry - 7287-165-6898 FED-N-F-481, Type 1, Class B, Style 2 9. Food coloring, caramel - 8950-12940-782-2181...starch Stock or cold water Pepper, black Caramel coloring Soup ft gravy base, beef flavored 1.75 0.50 227 87.65 25.00 11350 0.04 0.01 5 O.O’l

  14. ΛCDM model in f(T) gravity: reconstruction, thermodynamics and stability

    Energy Technology Data Exchange (ETDEWEB)

    Salako, I.G.; Kpadonou, A.V.; Houndjo, M.J.S.; Tossa, J. [Institut de Mathématiques et de Sciences Physiques (IMSP), 01 BP 613, Porto-Novo (Benin); Rodrigues, M.E., E-mail: ines.salako@imsp-uac.org, E-mail: esialg@gmail.com, E-mail: vkpadonou@gmail.com, E-mail: sthoundjo@yahoo.fr, E-mail: joel.tossa@imsp-uac.org [Faculdade de Física, Universidade Federal do Pará, 66075-110, Belém, Pará (Brazil)

    2013-11-01

    We investigate some cosmological features of the ΛCDM model in the framework of the generalized teleparallel theory of gravity f(T) where T denotes the torsion scalar. Its reconstruction is performed giving rise to an integration constant Q and other input parameters according to which we point out more analysis. Thereby, we show that for some values of this constant, the first and second laws of thermodynamics can be realized in the equilibrium description, for the universe with the temperature inside the horizon equal to that at the apparent horizon. Moreover, still within these suitable values of the constant, we show that the model may be stable using the de Sitter and Power-Law cosmological solutions.

  15. Design of FIR Hilbert transformers using prescribed subfilters and nested FT technique

    Science.gov (United States)

    Tai, Yang-Lung; Liu, Jie-Cherng; Chou, Hsien-Hsin

    2015-07-01

    In this article, a transformation (subfilter) for designing finite impulse response (FIR) Hilbert transformers (HTs) is proposed. With our approach, except simple search procedures, neither optimisation nor any filter design algorithm is needed to obtain the transformation. The proposed subfilter requires only two multipliers regardless of the subfilter order. For the frequency transformation design, the purpose of the subfilter is to provide a "rough" shape of the desired HT; the two coefficients of the subfilter can be implemented as the form of sum of power of two (SOPOT) with only a few bits, thus leading to a multiplierless realisation. Moreover, by applying the transformation on the subfilter again, a technique named as nested frequency transformation (nested FT) is introduced. This technique can further reduce the number of multipliers needed in the overall HT.

  16. Differentiation of mycobacterial species by FT-IR (Fourier transform infrared spectroscopy)

    International Nuclear Information System (INIS)

    Cuellar Gil, Jorge Andres; Coronado Rios, Sandra Milena; Arrubla, Roberto Carlos

    2011-01-01

    Spectroscopy Fourier transform infrared (FT-IR) was used to differentiate 10 species of mycobacteria. Mycobacterium intracellulare and M. fortuitum (ATCC). M. flavensces, M. smegmatis, M. chelone, M. gordonae, M. triviale, M. vaccae, M. terrae and M. nonchromogenicum (IP). For gender differentiation staphylococcus aureus, streptococcus viridans and streptococcus pyogenes, klebsiella pneumoniae y escherichia coli were included as controls, each species was run for triplicate in KBr and ATR. The spectra were analyzed with the method of principal components to make the first derivatives of first order (D1) in the transmission mode using KBR pellet and ATR base, and a spectral library of the first derivative of ATR was kept. The detection sensitivity was 100% with KBr and the level of differentiation was 100% in three of the four samples problems.

  17. The Thomson scattering experiment pulsed by CO2 laser in FT

    International Nuclear Information System (INIS)

    Bartolini, L.; Fornetti, G.; Nardi, M.; Occhionero, G.; Ferri de Collibus, M.

    1987-01-01

    An experiment carried out to measure the plasma ion temperature Tsub(i) in the tokamak FT in Frascati by Collective Thomson Scattering. A tandem laser system generates two single mode beams (10.6μ) one of which is pulsed and amplified up to levels of 5 MW, 1μs and actively frequency locked to a second continuous wave low pressure CO 2 laser. The pulse beam crosses the plasma and the forward scattered light is collected at angles between 1 degrees centigrade and 1.6 degrees centigrade. An heterodyne technique in which the c.w. beam is the local oscillator is used to measure the Doppler enlarged spectral density of the signal. The experimental apparatus is described and the results are reported and discussed

  18. FT-IR microscopical analysis with synchrotron radiation: The microscope optics and system performance

    Energy Technology Data Exchange (ETDEWEB)

    Reffner, J.A.; Martoglio, P.A. [Spectra-Tech, Inc., Shelton, CT (United States); Williams, G.P. [Brookhaven National Lab., Upton, NY (United States)

    1995-01-01

    When a Fourier transform infrared (FT-IR) microspectrometer was first interfaced with the National Synchrotron Light Source (NSLS) in September 1993, there was an instant realization that the performance at the diffraction limit had increased 40-100 times. The synchrotron source transformed the IR microspectrometer into a true IR microprobe, providing high-quality IR spectra for probe diameters at the diffraction limit. The combination of IR microspectroscopy and synchrotron radiation provides a powerful new tool for molecular spectroscopy. The ability to perform IR microspectroscopy with synchrotron radiation is still under development at Brookhaven National Laboratory, but several initial studies have been completed that demonstrate the broad-ranging applications of this technology and its potential for materials characterization.

  19. Rapid Analysis of Deoxynivalenol in Durum Wheat by FT-NIR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Annalisa De Girolamo

    2014-11-01

    Full Text Available Fourier-transform-near infrared (FT-NIR spectroscopy has been used to develop quantitative and classification models for the prediction of deoxynivalenol (DON levels in durum wheat samples. Partial least-squares (PLS regression analysis was used to determine DON in wheat samples in the range of <50–16,000 µg/kg DON. The model displayed a large root mean square error of prediction value (1,977 µg/kg as compared to the EU maximum limit for DON in unprocessed durum wheat (i.e., 1,750 µg/kg, thus making the PLS approach unsuitable for quantitative prediction of DON in durum wheat. Linear discriminant analysis (LDA was successfully used to differentiate wheat samples based on their DON content. A first approach used LDA to group wheat samples into three classes: A (DON ≤ 1,000 µg/kg, B (1,000 < DON ≤ 2,500 µg/kg, and C (DON > 2,500 µg/kg (LDA I. A second approach was used to discriminate highly contaminated wheat samples based on three different cut-off limits, namely 1,000 (LDA II, 1,200 (LDA III and 1,400 µg/kg DON (LDA IV. The overall classification and false compliant rates for the three models were 75%–90% and 3%–7%, respectively, with model LDA IV using a cut-off of 1,400 µg/kg fulfilling the requirement of the European official guidelines for screening methods. These findings confirmed the suitability of FT-NIR to screen a large number of wheat samples for DON contamination and to verify the compliance with EU regulation.

  20. Effect of Water on HEMA Conversion by FT-IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    TS. Jafarzadeh Kashi

    2007-09-01

    Full Text Available Objective: The use of HEMA as a biocompatible material in dentin bonding systems and its potential for clinical applications has been well established. Excess water can affect conversion of bonding resins. The aim of this study was to survey the effect of water on the degree of conversion of HEMA by Fourier Transform Infra-red Spectroscopy (FT-IR.Materials and Methods: In this experimental study, distilled water was added in amounts of 0, 0.05, 0.1, 0.2, and 0.4 ml to 1 ml of curable HEMA solution. Six repetitions per wa-ter ratio were made and investigated. Each sample was polymerized for 60 seconds. De-gree of conversion was obtained from the absorbance IR-Spectrum of the materials before and after polymerization by FT-IR spectroscopy. One way ANOVA and Tukey-HSD were carried out to compare and detect any differences among groups.Results: Statistical analysis indicates highly significant difference between pairs of groups at level (P<0.001. The results showed a trend of decreasing in HEMA conversion with increasing water. Degree of conversion changes significantly within the 0.05 ml to 0.2 ml water range. However, degree of conversion did not change after reaching 0.02 ml and before 0.05.Conclusion: Degree of conversion of HEMA decreased by increasing water. The most dramatic effect of water on the polymerization process occurs within a range which exists under clinical conditions. The reason that the degree of conversion did not show signifi-cant result before 0.05 ml may be related to the hydrophilic nature of HEMA.

  1. Characterization of Paracoccidioides brasiliensis by FT-IR spectroscopy and nanotechnology

    Science.gov (United States)

    Ferreira, Isabelle; Ferreira-Strixino, Juliana; Castilho, Maiara L.; Campos, Claudia B. L.; Tellez, Claudio; Raniero, Leandro

    2016-01-01

    Paracoccidioides brasiliensis, the etiological agent of paracoccidioidomycosis, is a dimorphic fungus existing as mycelia in the environment (or at 25 °C in vitro) and as yeast cells in the human host (or at 37 °C in vitro). Because mycological examination of lesions in patients frequently is unable to show the presence of the fungus and serological tests can misdiagnose the disease with other mycosis, the development of new approach's for molecular identification of P. brasiliensis spurges is needed. This study describes the use of a gold nanoprobe of a known gene sequence of P. brasiliensis as a molecular tool to identify P. brasiliensis by regular polymerase chain reaction (PCR) associated with a colorimetric methods. This approach is suitable for testing in remote areas because it does not require any further step than gene amplification, being safer and cheaper than electrophoresis methods. The proposed test showed a color change of the PCR reaction mixture from red to blue in negative samples, whereas the solution remains red in positive samples. We also performed a Fourier Transform Infrared (FT-IR) Spectroscopy analysis to characterize and compare the chemical composition between yeast and mycelia forms, which revealed biochemical differences between these two forms. The analysis of the spectra showed that differences were distributed in chemical bonds of proteins, lipids and carbohydrates. The most prominent difference between both forms was vibration modes related to 1,3-β-glucan usually found in mycelia and 1,3-α-glucan found in yeasts and also chitin forms. In this work, we introduce FT-IR as a new method suitable to reveal overall differences that biochemically distinguish each form of P. brasiliensis that could be additionally used to discriminate biochemical differences among a single form under distinct environmental conditions.

  2. Characterization of Paracoccidioides brasiliensis by FT-IR spectroscopy and nanotechnology.

    Science.gov (United States)

    Ferreira, Isabelle; Ferreira-Strixino, Juliana; Castilho, Maiara L; Campos, Claudia B L; Tellez, Claudio; Raniero, Leandro

    2016-01-05

    Paracoccidioides brasiliensis, the etiological agent of paracoccidioidomycosis, is a dimorphic fungus existing as mycelia in the environment (or at 25°C in vitro) and as yeast cells in the human host (or at 37°C in vitro). Because mycological examination of lesions in patients frequently is unable to show the presence of the fungus and serological tests can misdiagnose the disease with other mycosis, the development of new approach's for molecular identification of P. brasiliensis spurges is needed. This study describes the use of a gold nanoprobe of a known gene sequence of P. brasiliensis as a molecular tool to identify P. brasiliensis by regular polymerase chain reaction (PCR) associated with a colorimetric methods. This approach is suitable for testing in remote areas because it does not require any further step than gene amplification, being safer and cheaper than electrophoresis methods. The proposed test showed a color change of the PCR reaction mixture from red to blue in negative samples, whereas the solution remains red in positive samples. We also performed a Fourier Transform Infrared (FT-IR) Spectroscopy analysis to characterize and compare the chemical composition between yeast and mycelia forms, which revealed biochemical differences between these two forms. The analysis of the spectra showed that differences were distributed in chemical bonds of proteins, lipids and carbohydrates. The most prominent difference between both forms was vibration modes related to 1,3-β-glucan usually found in mycelia and 1,3-α-glucan found in yeasts and also chitin forms. In this work, we introduce FT-IR as a new method suitable to reveal overall differences that biochemically distinguish each form of P. brasiliensis that could be additionally used to discriminate biochemical differences among a single form under distinct environmental conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Atomistic models of Cu diffusion in CuInSe2 under variations in composition

    Science.gov (United States)

    Sommer, David E.; Dunham, Scott T.

    2018-03-01

    We construct an analytic model for the composition dependence of the vacancy-mediated Cu diffusion coefficient in undoped CuInSe2 using parameters from density functional theory. The applicability of this model is supported numerically with kinetic lattice Monte Carlo and Onsager transport tensors. We discuss how this model relates to experimental measurements of Cu diffusion, arguing that our results can account for significant contributions to the bulk diffusion of Cu tracers in non-stoichiometric CuInSe2.

  4. Cu-Doping Effects in CdI(2) Nanocrystals: The Role of Cu-Agglomerates.

    Science.gov (United States)

    Miah, M Idrish

    2008-11-22

    Cu-doping effects in CdI(2) nanocrystals are studied experimentally. We use the photostimulated second harmonic generation (PSSHG) as a tool to investigate the effects. It is found that the PSSHG increases with increasing Cu content up to 0.6% and then decreases due to the formation of the Cu-agglomerates. The PSSHG for the crystal with Cu content higher than 1% reduces to that for the undoped CdI(2) crystal. The results suggest that a crucial role of the Cu-metallic agglomerates is involved in the processes as responsible for the observed effects.

  5. Cu-Doping Effects in CdI2Nanocrystals: The Role of Cu-Agglomerates

    Directory of Open Access Journals (Sweden)

    Miah M

    2008-01-01

    Full Text Available Abstract Cu-doping effects in CdI2nanocrystals are studied experimentally. We use the photostimulated second harmonic generation (PSSHG as a tool to investigate the effects. It is found that the PSSHG increases with increasing Cu content up to 0.6% and then decreases due to the formation of the Cu-agglomerates. The PSSHG for the crystal with Cu content higher than 1% reduces to that for the undoped CdI2crystal. The results suggest that a crucial role of the Cu-metallic agglomerates is involved in the processes as responsible for the observed effects.

  6. Significant improvement of electrochemical performance of Cu ...

    Indian Academy of Sciences (India)

    Abstract. In this paper, we reveal that the intrinsic low electronic conductivity of the pristine LiVPO4F is overcome with conductive Cu-coating. The existence of nano-Cu is confirmed with X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS). The morphology and particle size are observed by scanning electron.

  7. Anelastic relaxation in irradiated Cu-Be

    International Nuclear Information System (INIS)

    Rehn, L.E.; Wiedersich, H.; Granato, A.V.

    1985-05-01

    Ultrasonic velocity measurements were made after thermal neutron irradiation of single-crystal Cu specimens containing 700 or 3700 appM Be. Ultrasonic attenuation was measured in similar specimens after 3 MeV electron irradiation. Three anelastic relaxation processes due to self-interstitial-Be complexes were observed. Cu-Be 1 was found to occur near liquid helium temperature; the temperature dependence of the velocity change suggests that reorientation of the Cu-Be 1 complex may involve quantum mechanical tunneling. Cu-Be produced an attenuation peak at approx.2.5 K at a frequency of 10 MHz. Cu-Be 3 appeared simultaneously with 2 as a shoulder on the high temperature side of the 2.5 K attenuation peak

  8. Bioakumulasi logam berat Cu oleh Bacillus sp

    Directory of Open Access Journals (Sweden)

    Riesta Primaharinastiti

    2012-02-01

    Full Text Available The research was conducted to investigate the ability of Bacillus sp in accumulating Cu and how much it can be acumulated. Themedium used to growth the bacterium was Nutrient Broth and Atomic Absorption Spectrophotometry methods was used to assay theCu, both in the cells and medium. The result of this study showed that Bacillus sp incubated in the Nutrient Broth medium containing10 ppm of Cu, with continuous stirring in the room temperature was able to reduce Cu in the medium 8.912–12.623% and accumulateCu in the cell 0.1149–0.1400 %/mg cells. Based on this result, it is necessary to develop more studies to find out what factors thatinfluence the accumulation process and to optimize the bioprocess.

  9. Fabrication of W-Cu nanocomposite by reduction of WO3-CuO

    International Nuclear Information System (INIS)

    Kim, D.-G.; Shim, W.-S.; Kim, Y.D.; Kim, J.S.

    2001-01-01

    W-Cu composites are promising materials for the heat-sink application used in microelectronic devices due to the characteristics of low thermal expansion coefficient of W and high thermal conductivity of Cu. The content of Cu should be less than 20 wt% to sustain the thermal expansion coefficient similar to that of semiconductor. For the heat-sink applications, the fabrication process of W-15 wt% Cu composite was investigated. The fine and homogeneous oxide composite powders were fabricated by high-energy ball milling method and nano-sized W-Cu composite powders were produced with reduction process at various temperatures. The reduction characteristics and microstructure were analyzed through XRD, SEM, EDS and TEM. The W-Cu nanocomposite powders fabricated by reduction process exhibited high sinterability resulted from the refinement of W grain size, homogenization and full densification of W-Cu composite. (author)

  10. Interfacial Reaction of Sn-Ag-Cu Lead-Free Solder Alloy on Cu: A Review

    Directory of Open Access Journals (Sweden)

    Liu Mei Lee

    2013-01-01

    Full Text Available This paper reviews the function and importance of Sn-Ag-Cu solder alloys in electronics industry and the interfacial reaction of Sn-Ag-Cu/Cu solder joint at various solder forms and solder reflow conditions. The Sn-Ag-Cu solder alloys are examined in bulk and in thin film. It then examines the effect of soldering conditions to the formation of intermetallic compounds such as Cu substrate selection, structural phases, morphology evolution, the growth kinetics, temperature and time is also discussed. Sn-Ag-Cu lead-free solder alloys are the most promising candidate for the replacement of Sn-Pb solders in modern microelectronic technology. Sn-Ag-Cu solders could possibly be considered and adapted in miniaturization technologies. Therefore, this paper should be of great interest to a large selection of electronics interconnect materials, reliability, processes, and assembly community.

  11. Synthesis of Cu2O from CuO thin films: Optical and electrical properties

    Directory of Open Access Journals (Sweden)

    Dhanya S. Murali

    2015-04-01

    Full Text Available Hole conducting, optically transparent Cu2O thin films on glass substrates have been synthesized by vacuum annealing (5×10−6 mbar at 700 K for 1 hour of magnetron sputtered (at 300 K CuO thin films. The Cu2O thin films are p-type and show enhanced properties: grain size (54.7 nm, optical transmission 72% (at 600 nm and Hall mobility 51 cm2/Vs. The bulk and surface Valence band spectra of Cu2O and CuO thin films are studied by temperature dependent Hall effect and Ultra violet photo electron Spectroscopy (UPS. CuO thin films show a significant band bending downwards (due to higher hole concentration than Cu2O thin films.

  12. Analyses of crack growth along interface of patterned wafer-level Cu-Cu bonds

    DEFF Research Database (Denmark)

    Tvergaard, Viggo; Hutchinson, John W.

    2009-01-01

    A preliminary theoretical study is carried out of the role of micron-scale patterning on the interface toughness of bonded Cu-to-Cu nanometer-scale films. The work is motivated by the experimental studies of [Tadepalli, R., Turner. K.T., Thompson, C.V., 2008b. Effects of patterning on the interface...... toughness of wafer-level Cu-Cu bonds. Acta Materialia 56, 438-447; Tadepalli, R., Turner, K.T., Thompson, C.V., 2008c. Mixed-mode interface toughness of wafer-level Cu-Cu bonds using asymmetric chevron test. J. Mech. Phys. Solids 56, 707-718.] wherein 400 nm Cu films were deposited in a variety of patterns...... contribution to the macroscopic interface toughness measured by Tadepalli, Turner and Thompson. Highlighted in this study is the difficulty of accurately representing plastic yielding in the thin films and the challenge of capturing the full range of scales in a computational model....

  13. Reactions in Electrodeposited Cu/Sn and Cu/Ni/Sn Nanoscale Multilayers for Interconnects

    Directory of Open Access Journals (Sweden)

    Pay Ying Chia

    2016-05-01

    Full Text Available Miniaturization of electronic devices has led to the development of 3D IC packages which require ultra-small-scale interconnections. Such small interconnects can be completely converted into Cu-Sn based intermetallic compounds (IMCs after reflow. In an effort to improve IMC based interconnects, an attempt is made to add Ni to Cu-Sn-based IMCs. Multilayer interconnects consisting of stacks of Cu/Sn/Cu/Sn/Cu or Cu/Ni/Sn/Ni/Sn/Cu/Ni/Sn/Ni/Cu with Ni = 35 nm, 70 nm, and 150 nm were electrodeposited sequentially using copper pyrophosphate, tin methanesulfonic, and nickel Watts baths, respectively. These multilayer interconnects were investigated under room temperature aging conditions and for solid-liquid reactions, where the samples were subjected to 250 °C reflow for 60 s and also 300 °C for 3600 s. The progress of the reaction in the multilayers was monitored by using X-ray Diffraction, Scanning Electron Microscope, and Energy dispersive X-ray Spectroscopy. FIB-milled samples were also prepared for investigation under room temperature aging conditions. Results show that by inserting a 70 nanometres thick Ni layer between copper and tin, premature reaction between Cu and Sn at room temperature can be avoided. During short reflow, the addition of Ni suppresses formation of Cu3Sn IMC. With increasing Ni thickness, Cu consumption is decreased and Ni starts acting as a barrier layer. On the other hand, during long reflow, two types of IMC were found in the Cu/Ni/Sn samples which are the (Cu,Ni6Sn5 and (Cu,Ni3Sn, respectively. Details of the reaction sequence and mechanisms are discussed.

  14. Analysis of factors influencing Cu(II sorption by clinoptiolite

    Directory of Open Access Journals (Sweden)

    Šljivić-Ivanović Marija Z.

    2013-01-01

    Full Text Available Experimental design methodology represents a powerful tool for the analysis and optimization of various processes. Immobilization of toxic substances by sorption onto low-cost materials gained a lot of attention in the last decade. Fundamental knowledge about sorption processes and their practical use can be improved by experimental planning and statistical analysis. In this study, the effects of initial metal concentration and pH, as well as the sorbent mass and particle size, on Cu(II sorption by natural clinoptilolite were evaluated and compared. Full factorial experimental design at two levels was applied. Statistically significant factors were determined considering residual Cu(II concentrations as a system response. The Pareto graphs of standardized effects, Main effect plots and Interaction plots were created using statistical software. Initial sorbate concentration, sorbent mass and their interaction were recognized as statistically significant, at 95 % confidence level. Main effect plot approved that sorbent mass increase and initial Cu(II concentration decrease caused reduction of residual Cu(II concentration in solution. On the other hand, the change of initial solution pH and sorbent particle size didn’t provoke significant response changes. Bearing in mind that pH is the factor with large effect on heavy metal sorption, insignificant influence of initial pH detected in this study can be explained by buffering properties of the applied clinoptilolite and relatively narrow pH range chosen in order to prevent sorbent dissolution on one side and sorbate precipitation on the other. By regression analysis, the mathematical model for process description was derived. The correlation between predicted and experimental values was high (R2>0.99. In the investigated ranges of parameters, the obtained empirical equation can be applied for the prediction of system response.

  15. A novel coping metal material CoCrCu alloy fabricated by selective laser melting with antimicrobial and antibiofilm properties.

    Science.gov (United States)

    Ren, Ling; Memarzadeh, Kaveh; Zhang, Shuyuan; Sun, Ziqing; Yang, Chunguang; Ren, Guogang; Allaker, Robert P; Yang, Ke

    2016-10-01

    The aim of this study was to fabricate a novel coping metal CoCrCu alloy using a selective laser melting (SLM) technique with antimicrobial and antibiofilm activities and to investigate its microstructure, mechanical properties, corrosion resistance and biocompatibility. Novel CoCrCu alloy was fabricated using SLM from a mixture of commercial CoCr based alloy and elemental Cu powders. SLM CoCr without Cu served as control. Antibacterial activity was analyzed using standard antimicrobial tests, and antibiofilm properties were investigated using confocal laser scanning microscope. Cu distribution and microstructure were determined using scanning electron microscope, optical microscopy and X-ray diffraction. Corrosion resistance was evaluated by potential dynamic polarization and biocompatibility measured using an MTT assay. SLM CoCrCu alloys were found to be bactericidal and able to inhibit biofilm formation. Other factors such as microstructure, mechanical properties, corrosion resistance and biocompatibility were similar to those of SLM CoCr alloys. The addition of appropriate amounts of Cu not only maintains normal beneficial properties of CoCr based alloys, but also provides SLM CoCrCu alloys with excellent antibacterial and antibiofilm capabilities. This material has the potential to be used as a coping metal for dental applications. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Skin effect suppression for Cu/CoZrNb multilayered inductor

    Science.gov (United States)

    Sato, Noriyuki; Endo, Yasushi; Yamaguchi, Masahiro

    2012-04-01

    The Cu/Co85Zr3Nb12 multilayer is studied as a conductor of a spiral inductor to suppress the skin effect at the 5 GHz range (matches IEEE 802.11 a standard) using negative-permeability in CoZrNb films beyond the ferromagnetic resonance frequency. The skin effect suppression becomes remarkable when the thickness of Cu in each period of the multilayer, tCu, is less than the skin depth of Cu at the targeting frequency. For the 5 GHz operation, tCu ≤ 750 nm. The resistance of the Cu/CoZrNb multilayered spiral inductor decreases as much as 8.7%, while keeping the same inductance of 1.1 nH as that of a similar air core. Accordingly, Q = 16. Therefore, the proposed method can contribute to realize a high-Q spiral inductor. We also study the potentially applicable frequency of this method. Given a soft magnetic material with Ms = 105 emu/cc and Hk = 5 Oe, the method can be applied at 700 MHz, the lowermost carrier frequency band for the 4th generation cellular phone system.

  17. Toxicity of CuO nanoparticles and Cu ions to tight epithelial cells from Xenopus laevis (A6)

    DEFF Research Database (Denmark)

    Thit, Amalie; Selck, Henriette; Bjerregaard, Henning F.

    2013-01-01

    ) was used to investigate toxicity of copper (Cu) in 3 different forms; Cu ions (Cu2+), CuO NPs (6 nm) and poly-dispersed CuO NPs (100 nm, poly-CuO). Continuous exposures at concentrations of 143–200 μM demonstrated that cytotoxicity differed among the 3 Cu forms tested and that the effects depend on cell...... state (dividing or differentiated). Dividing cells treated with poly-CuO, CuO NPs (6 nm) or Cu2+ showed cell cycle arrest and caused significant increase in cell death via apoptosis after 48 h, 6 and 7 days of treatment, respectively. Treatment with either CuO NPs (6 nm) or Cu2+ caused significant...

  18. High-loading, 1800 ft/sec tip speed transonic compressor fan stage. 1: Aerodynamic and mechanical design

    Science.gov (United States)

    Morris, A. L.; Halle, J. E.; Kennedy, E. E.

    1972-01-01

    A single stage fan with a tip speed of 1800 ft/sec (548.6m/sec) and hub/tip ratio of 0.5 was designed to produce a pressure ratio of 2.285:1 with an adiabatic efficiency of 84.0%. The design flow per inlet annulus area is 38.7 lbm/sq ft-sec (188.9KG/sqm-sec). Rotor blades have modified multiple-circular-arc and precompression airfoil sections. The stator vanes have multiple-circular-arc airfoil sections.

  19. Evaluation of the β+ decay log ft value with inclusion of the neutron–proton pairing and particle number conservation

    International Nuclear Information System (INIS)

    Kerrouchi, S.; Allal, N.H.; Fellah, M.; Oudih, M.R.

    2015-01-01

    The particle number fluctuation effects, which are inherent to the Bardeen–Cooper–Schrieffer (BCS) theory, on the beta decay log ft values are studied in the isovector case. Expressions of the transition probabilities, of Fermi as well as Gamow–Teller types, which strictly conserve the particle number are established using a projection method. The probabilities are calculated for some transitions of isobars such as N ≃ Z. The obtained results are compared to values obtained before the projection. The nuclear deformation effect on the log ft values is also studied. (author)

  20. Fractal formation of a Y-Ba-Cu-O thin film on SrTiO3

    International Nuclear Information System (INIS)

    Chow, L.; Chen, J.; Desai, V.; Sundaram, K.; Arora, S.

    1989-01-01

    Fractal formation has been observed after thermal annealing of the rf-sputtered Y-Ba-Cu-O thin film on SrTiO 3 substrate. Through energy-dispersive x-ray analysis, it was found that the composition of the fractal was YBa 2 Cu 3 O x and the surrounding film composition wasY 2 Ba 2 Cu 3 O x . The fractal dimensions D ranging from 1.26 to 1.65 were obtained using the standard sandbox method with different thresholds