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Sample records for synthesis spectral studies

  1. Synthesis and Spectral Study of Novel Norfloxacin Derivatives

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    Pradeep Yadav

    2008-01-01

    Full Text Available Reaction of [1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl-quinolone-3-carboxylic acid (norfloxacin with thiazole / benzothiazole diazonium chloride to get new piperazine substituted norfloxacin derivative. These norfloxacin derivatives were further condensed with various β-diketone to get novel acid derivatives of 1-Ethyl-6-fluoro-4-oxo-7- [4 (thiazol-2-yldiazenyl-piperzin-1-yl]-1,4-dihydro-quinoline-3-carboxylic acid (6a-e and 7-(4-(benzo[d]thiazol-2-yldiazenylpiperazin-1-yl-1-ethyl-6-fluoro-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid (6 f-j. Structures of these compounds were established on the basis of spectral studies viz. IR, 1H NMR etc.

  2. Synthesis, spectral studies, antimicrobial and insect antifeedant potent keto oxiranes

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    Ganesamoorthy Thirunarayanan

    2016-09-01

    Full Text Available A series of ee (αS, βR biphenyl keto oxiranes (biphenyl-4-yl[3-(substituted phenyloxiran-2-yl]methanones have been synthesized by phase transfer catalysed epoxidation of biphenyl 2E-chalcones. The yields of oxiranes are more than 95%. The synthesized oxiranes have been characterized by IR, 1H, 13C and GC–MS spectra. The spectral data are correlated with Hammett substituent constants and Swain–Lupton parameters. From the regression analyses, the effect of substituent on the group frequencies has been predicted. The antimicrobial and insect antifeedant activities of all synthesized oxiranes have been evaluated.

  3. Synthesis, Spectral and Anthelmintic Activity Studies on Some Novel Imidazole Derivatives

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    Rajiv Dahiya

    2008-01-01

    Full Text Available Present study describes the synthesis of a novel series of 3,5-diiodo-4-(5-nitro-1H-2-imidazolylbenzoyl amino acids and di/tri/tetrapeptides using diisopropylcarbodiimide/dicyclohexylcarbodiimide (DIPC/DCC as coupling agents and N-methylmorpholine/triethylamine (NMM/TEA as bases. Structure elucidation of all the newly synthesized compounds was done by elemental analysis and IR, 1H NMR, 13C NMR and mass spectral data. Synthesized imidazolopeptides were screened for their anthelmintic activity and found to possess moderate to good bioactivity against earthworms Megascoplex konkanensis, Pontoscotex corethruses and Eudrilus eugeniea when compared to reference drugs - albendazole and mebendazole at dose level of 2 mg mL−1.

  4. Synthesis, XRD, TEM, EPR, and Optical Absorption Spectral Studies of CuZnO2 Nanocompound

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    T. Ravindra Reddy

    2014-01-01

    Full Text Available Synthesis of nano CuZnO2 compound is carried out by thermal decomposition method. The crystalline phase of the material is characterized by XRD. The calculated unit cell constants are a=3.1 Å and c=3.4786 Å and are of tetragonal structure. The unit cell constants are different from wurtzite (hexagonal which indicate that a nanocompound is formed. Further TEM images reveal that the metal ion is in tetragonal structure with oxygen ligands. The prepared CuZnO2 is then characterized for crystallite size analysis by employing transmission electron microscopy (TEM. The size is found to be 100 nm. Uniform bright rings are noticed in the TEM picture suggesting that the nanocrystals have preferential instead of random orientations. The selected-area electron diffraction (SAED pattern clearly indicates the formation of CuO-ZnO nanocompound. The nature of bonding is studied by electron paramagnetic resonance (EPR. The covalency character is about 0.74 and thus the compound is electrically less conductive. Optical absorption spectral studies suggest that Cu(II is placed in tetragonal elongation crystal field. The spin-orbit coupling constant, λ, is calculated using the EPR and optical absorption spectral results suggest some covalent bond between metal and ligand. Near infrared (NIR spectra are due to hydroxyl and water fundamentals.

  5. Synthesis, magnetic and spectral studies of lanthanide(III) chloride complexes of hydrazones of isonicotinic acid hydrazide

    International Nuclear Information System (INIS)

    Agarwal, R.K.; Agarwal, Himanshu; Prasad, Ram

    1996-01-01

    The synthesis, magnetic and spectral properties of trivalent lanthanide chlorides with N-isonicotinamidobenzalaldimine (INH-BENZ), N-isonicotinamidoanisalaldimine (INH-ANSL) and N-isonicotinamido-p-dimethylaminobenzalaldimine (INH-PDAB) are described. 13 refs., 2 tabs

  6. Biogenic silver nanoparticles using Rhinacanthus nasutus leaf extract: synthesis, spectral analysis, and antimicrobial studies

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    Pasupuleti VR

    2013-09-01

    Full Text Available Visweswara Rao Pasupuleti,1 TNVKV Prasad,2 Rayees Ahmad Shiekh,3 Satheesh Krishna Balam,4 Ganapathi Narasimhulu,5 Cirandur Suresh Reddy,4 Ismail Ab Rahman,3 Siew Hua Gan1 1Human Genome Center, School of Medical Sciences, Universiti Sains Malaysia, Kubang Kerian, Kelantan, Malaysia; 2Institute of Frontier Technology, Regional Agricultural Research Station, Acharya NG Ranga Agricultural University, Tirupati, Andhra Pradesh, India; 3Biomaterial Research Unit, School of Dental Sciences, Universiti Sains Malaysia, Kubang Kerian, Kelantan, Malaysia; 4Department of Chemistry, Sri Venkateswara University, Tirupati, Andhra Pradesh, India; 5Pharmacology and Toxicology, Faculty of Pharmacy, University of Technology Mara, Malaysia Abstract: Nanotechnology is gaining momentum due to its ability to transform metals into nanoparticles. The synthesis, characterization, and applications of biologically synthesized nanomaterials have become an important branch of nanotechnology. Plant extracts are a cost-effective, ecologically friendly, and efficient alternative for the large-scale synthesis of nanoparticles. In this study, silver nanoparticles (AgNps were synthesized using Rhinacanthus nasutus leaf extract. After exposing the silver ions to the leaf extract, the rapid reduction of silver ions led to the formation of AgNps in solution. The synthesis was confirmed by ultraviolet-visible spectroscopy, Fourier transform infrared spectroscopy, and transmission electron microscopy. The in vitro antimicrobial activity of the AgNps synthesized using R. nasutus leaf extract was investigated against Bacillus subtilis, Staphylococcus aureus, Pseudomonas aeruginosa, Klebsiella pneumonia, Escherichia coli, Aspergillus niger, and Aspergillus flavus using a disc diffusion method. The AgNps showed potential activity against all of the bacterial strains and fungal colonies, indicating that R. nasutus has the potential to be used in the development of value-added products in the

  7. Spectral, DFT and X-ray diffraction studies on regioselective synthesis of thiazolo-quinazoline system

    Science.gov (United States)

    Gautam, Deepika; Gautam, Poonam; Chaudhary, R. P.

    2017-10-01

    Unsymmetrical quinazoline-3-thione 2, obtained from one pot condensation of 2-tetralone, p-chlorobenzaldehyde and thiourea in acidic medium, on reaction with α-halo acids afforded thiazolo-quinazoline derivatives 3, 7 and not their regioisomers 4 and 8 respectively. The cyclised product obtained by the reaction of thione 2 with 1,2-dibromoethane has been assigned structure 5. Condensation of thione 2 with 3-chloropropionic acid and 1,3-dibromopropane furnished thiazino-quinazoline derivatives 10 and 12 instead of their regioisomers 11 and 13 respectively. The structure of the cyclised products has been established by means of spectral data (IR, NMR and Mass). X-ray diffraction studies of a representative compound supported our claim on structural assignments. DFT studies on regioisomers further validated the claim for assigned structures. The reaction of thione 2 with 3-chloropropionc acid in presence of acetic acid yielded thiazinan-4-one 10.

  8. Computer-assisted spectral design and synthesis

    Science.gov (United States)

    Vadakkumpadan, Fijoy; Wang, Qiqi; Sun, Yinlong

    2005-01-01

    In this paper, we propose a computer-assisted approach for spectral design and synthesis. This approach starts with some initial spectrum, modifies it interactively, evaluates the change, and decides the optimal spectrum. Given a requested change as function of wavelength, we model the change function using a Gaussian function. When there is the metameric constraint, from the Gaussian function of request change, we propose a method to generate the change function such that the result spectrum has the same color as the initial spectrum. We have tested the proposed method with different initial spectra and change functions, and implemented an interactive graphics environment for spectral design and synthesis. The proposed approach and graphics implementation for spectral design and synthesis can be helpful for a number of applications such as lighting of building interiors, textile coloration, and pigment development of automobile paints, and spectral computer graphics.

  9. Synthesis, spectral, thermal and antimicrobial studies of some new tri metallic biologically active ceftriaxone complexes

    Science.gov (United States)

    Ali, Alaa E.

    2011-01-01

    Iron, cobalt, nickel and copper complexes of ceftriaxone were prepared in 1:3 ligand:metal ratio to examine the ligating properties of the different moieties of the drug. The complexes were found to have high percentages of coordinated water molecules. The modes of bonding were discussed depending on the infrared spectral absorption peaks of the different allowed vibrations. The Nujol mull electronic absorption spectra and the magnetic moment values indicated the Oh geometry of the metal ions in the complexes. The ESR spectra of the iron, cobalt, and copper complexes were determined and discussed. The thermal behaviors of the complexes were studied by TG and DTA techniques. The antimicrobial activities of the complexes were examined and compared to that of the ceftriaxone itself.

  10. Synthesis, Spectral Characterization, and Antibacterial and Antifungal Studies of PANI/V2O5 Nanocomposites

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    Chakradhar Sridhar

    2016-01-01

    Full Text Available The present study deals with the synthesis and characterization of nanocrystalline vanadium pentoxide (V2O5 nanoparticles and their antibacterial and antifungal activity on Staphylococcus aureus and Aspergillus niger, respectively, by agar diffusion method. The metal oxide has been synthesized by employing the sol-gel method, polyaniline (PANI has been synthesized by chemical oxidation, and PANI/V2O5 composites have been synthesized by in situ polymerization method with different ratios (10, 20, 30, 40, and 50 weight% of V2O5 in PANI. The newly prepared composites were characterized by FTIR and powder X-ray diffraction (P-XRD techniques and are found to be formed of PANI/V2O5 nanocomposites, and also the compounds showed moderate antibacterial and antifungal activity.

  11. Synthesis, Spectral, and In Vitro Antibacterial Studies of Organosilicon(IV) Complexes with Schiff Bases Derived from Amino Acids.

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    Singh, Har Lal; Singh, Jangbhadur; Mukherjee, A

    2013-01-01

    The present work stems from our interest in the synthesis, characterization, and antibacterial evaluation of organosilicon(IV) complexes of a class of amino-acid-based Schiff base which have been prepared by the interaction of ethoxytrimethylsilane with the Schiff bases (N OH) in 1 : 1 molar ratio. These complexes have been characterized by elemental analysis, molar conductance, and spectroscopic studies including electronic IR and NMR ((1)H, (13)C, and (29)Si) spectroscopy. The analytical and spectral data suggest trigonal bipyramidal geometry around the silicon atom in the resulting complexes. The ligands and their organosilicon complexes have also been evaluated for in vitro antimicrobial activity against bacteria (Bacillus cereus, Nocardia spp., E. aerogenes, Escherichia coli, Klebsiella spp., and Staphylococcus spp.). The complexes were found to be more potent as compared to the ligands.

  12. Synthesis and spectral studies on monometallic ruthenium (III complexes of N-(2-hydroxysalicyliden-1-ylmethylenebenzoylhydrazide

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    N.K. Kar

    2017-02-01

    Full Text Available A novel Schiff base ligand (H2L derived from the condensation of benzoyl hydrazine and salicylaldehyde and its metal complexes with Ru (III ion has been synthesized and characterized by elemental analyses, thermal analysis (TGA, conductance measurements, magnetic moments IR, UV–vis spectra. The complexes were given the formulae [Ru(L-HCl2(H2O] (1, [Ru(L-HCl2(py] (2, [Ru(L-HCl2(2-pic] (3, [Ru(L-HCl2(3-pic] (4, [Ru(L-HCl2(4-pic] (5. Molar conductance in DMF (N,N-dimethyl formamide solution indicates that the complexes are non-electrolytes. Magnetic susceptibility measurements indicate that all the complexes are mononuclear and one-electron paramagnetic. Electronic spectral studies suggest six coordinate metal ions in its complexes. IR spectra reveal that H2L ligand coordinates in keto-form to ruthenium metal ion in its complexes. ESR studies of the complexes are also reported.

  13. Trimethine cyanine dyes with an indole nucleus: Synthesis and spectral properties studies

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Yingchun [School of Science, TianJin Institute of Urban Construction, Tianjin 300384 (China); Fei, Xuening, E-mail: xueningfei@126.com [School of Science, TianJin Institute of Urban Construction, Tianjin 300384 (China); Liu, Yuru; Wang, Yiqi; Yang, Xu [School of Science, TianJin Institute of Urban Construction, Tianjin 300384 (China)

    2013-02-15

    A series of trimethine quinoline cyanine dyes with an indole nucleus were designed and synthesized based on the chemical structures of Cy{sub 3} and TO. The structures of all dyes were confirmed by {sup 1}HNMR and MS. Studies on their spectral properties showed that the trimethine cyanine dyes had properties of both the embedded dye TO and the bonded dye Cy{sub 3}. The maximum fluorescence wavelength of the final cyanine dyes shifted red compared with those of Cy{sub 3} and TO alone. When we changed the substituent groups on the indole ring of the dye, both the fluorescence intensity and wavelength exhibited corresponding changes. The fluorescence wavelength of indole quinoline with an electron donor group shifted red and the fluorescence intensity was enhanced with good photostability. When labeled with BSA, a significant fluorescence enhancement could be observed. - Highlights: Black-Right-Pointing-Pointer Indole quinoline cyanine dyes were synthesized based on Cy{sub 3} and TO. Black-Right-Pointing-Pointer The fluorescence intensities were enhanced compared to those of TO and Cy{sub 3}. Black-Right-Pointing-Pointer The fluorescence wavelength shifted red compared to those of TO and Cy{sub 3}. Black-Right-Pointing-Pointer The photostability is superior to that of TO and Cy{sub 3}. Black-Right-Pointing-Pointer The fluorescence of dyes labeled with BSA also showed fluorescence enhancement.

  14. Synthesis, spectral, thermal, potentiometric and antimicrobial studies of transition metal complexes of tridentate ligand

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    Sarika M. Jadhav

    2014-01-01

    Full Text Available A series of metal complexes of Cu(II, Ni(II, Co(II, Fe(III and Mn(II have been synthesized with newly synthesized biologically active tridentate ligand. The ligand was synthesized by condensation of dehydroacetic acid (3-acetyl-6-methyl-(2H pyran-2,4(3H-dione or DHA, o-phenylene diamine and fluoro benzaldehyde and characterized by elemental analysis, molar conductivity, magnetic susceptibility, thermal analysis, X-ray diffraction, IR, 1H-NMR, UV–Vis spectroscopy and mass spectra. From the analytical data, the stoichiometry of the complexes was found to be 1:2 (metal:ligand with octahedral geometry. The molar conductance values suggest the non-electrolyte nature of metal complexes. The IR spectral data suggest that the ligand behaves as a dibasic tridentate ligand with ONN donor atoms sequence towards central metal ion. Thermal behaviour (TG/DTA and kinetic parameters calculated by the Coats–Redfern and Horowitz–Metzger method suggest more ordered activated state in complex formation. To investigate the relationship between stability constants of metal complexes and antimicrobial activity, the dissociation constants of Schiff bases and stability constants of their binary metal complexes have been determined potentiometrically in THF–water (60:40% solution at 25 ± 1 °C and at 0.1 M NaClO4 ionic strength. The potentiometric study suggests 1:1 and 1:2 complexation. Antibacterial and antifungal activities in vitro were performed against Staphylococcus aureus, Escherichia coli and Aspergillus niger, Trichoderma, respectively. The stability constants of the metal complexes were calculated by the Irving–Rosotti method. A relation between the stability constant and antimicrobial activity of complexes has been discussed. It is observed that the activity enhances upon complexation and the order of antifungal activity is in accordance with stability order of metal ions.

  15. Synthesis and spectral studies of some novel coumarin based disperse azo dyes

    International Nuclear Information System (INIS)

    Amjad, R.; Khan, S.R.; Naeem, M.

    2009-01-01

    Synthesis of some novel coumarin based azo dyes was carried out by diazotization of heterocyclic amines using nitrosyl sulphuric acid and then coupling them with 7-hydroxy-4-methyl Coumarin. The synthesized dyes when applied on polyester fibers showed moderate to good light fastness and very good to excellent fastness to washing, rubbing, perspiration and sublimation. (author)

  16. Microwave Synthesis Under Solvent-Free Conditions and Spectral Studies of Some Mesoporphyrinic Complexes

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    Rica Boscencu

    2012-05-01

    Full Text Available A series of A3B and A4 type mesoporphyrinic complexes were synthesized with superior yields using microwave irradiation under solvent-free conditions. The structures of the complexes were confirmed using elemental analysis, FT-IR, UV-Vis, EPR and NMR spectral data. The influence of environmental polarity on spectral properties of the mesoporphyrinic complexes was investigated. The obtained results indicate that the shape of absorption and fluorescence spectra does not depend on the solvent polarity under the experimental conditions used. The small shifts of the absorption and emission maximums that occur by increasing of solvent polarity reflects the physical interaction between the porphyrinic substituents and the solvent molecules.

  17. Synthesis, spectral characterization and in vitro antibacterial ...

    African Journals Online (AJOL)

    Shafqat Nadeem

    2015-12-17

    Dec 17, 2015 ... Petra/Osiris/Molinspiration analysis. Abstract The paper emphasizes on the synthesis of Palladium(II) iodide complexes containing based ligands. The new compounds .... The spectral conditions were as follows: 32 K data points,. 1.822 s acquisition time, 2.00 s pulse delay and 6.00 ls pulse width. The 13C ...

  18. Synthesis, spectral, thermal, optical dispersion and dielectric ...

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... Home; Journals; Bulletin of Materials Science; Volume 39; Issue 1. Synthesis, spectral, thermal, optical dispersion and dielectric properties of nanocrystalline dimer complex (PEPyr–diCd) thin films as novel organic semiconductor. Ahmed Farouk Al-Hossainy. Volume 39 Issue 1 February 2016 pp 209-222 ...

  19. Ruthenium(II) hydrazone Schiff base complexes: Synthesis, spectral study and catalytic applications

    Science.gov (United States)

    Manikandan, R.; Viswanathamurthi, P.; Muthukumar, M.

    2011-12-01

    Ruthenium(II) hydrazone Schiff base complexes of the type [RuCl(CO)(B)(L)] (were B = PPh 3, AsPh 3 or Py; L = hydrazone Schiff base ligands) were synthesized from the reactions of hydrazone Schiff base ligand (obtained from isonicotinoylhydrazide and different hydroxy aldehydes) with [RuHCl(CO)(EPh 3) 2(B)] (where E = P or As; B = PPh 3, AsPh 3 or Py) in 1:1 molar ratio. All the new complexes have been characterized by analytical and spectral (FT-IR, electronic, 1H, 13C and 31P NMR) data. They have been tentatively assigned an octahedral structure. The synthesized complexes have exhibited catalytic activity for oxidation of benzyl alcohol to benzaldehyde and cyclohexanol to cyclohexanone in the presence of N-methyl morpholine N-oxide (NMO) as co-oxidant. They were also found to catalyze the transfer hydrogenation of aliphatic and aromatic ketones to alcohols in KOH/Isopropanol.

  20. Stereoselective synthesis and spectral studies of some benzotriazolylacetyl hydrazones of 3-alkyl-2,6-diarylpiperidin-4-ones

    Science.gov (United States)

    Pillai, M. Velayutham; Rajeswari, K.; Kumar, C. Udhaya; Krishnan, K. Gokula; Mahendran, S.; Ramalingan, C.; Nagarajan, E. R.; Vidhyasagar, T.

    2017-12-01

    An effort to include biologically potent benzotriazole nucleus into piperidine ring is achieved through hydrazone formation. The characterization of the synthesized compounds was carried out using FT-IR, 1H &13C NMR, 1H-1H COSY, 1H-13C COSY, NOESY spectral techniques and GC-Mass spectrum. The spectral assignments were done without ambiguity using 2D-NMR techniques. The conformational preference of the piperidine ring deduced from the spectral studies is 'chair'. The diastereotopic nature of the methylene protons/methyl groups present in the molecules is revealed clearly in their spectral pattern observed.

  1. Synthesis, spectral characterization of Schiff base transition metal ...

    Indian Academy of Sciences (India)

    TECS

    Synthesis, spectral characterization of Schiff base transition metal complexes: DNA cleavage and antimicrobial activity studies. N RAMAN,* J DHAVEETHU RAJA and A SAKTHIVEL. Department of Chemistry, VHNSN College, Virudhunagar 626 001 e-mail: drn_ raman@yahoo.co.in. MS received 1 May 2007; revised 7 July ...

  2. Transition metal complexes with oxygen donor ligands: a synthesis, spectral, thermal and antimicrobial study

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    VAIBHAV N. PATANGE

    2008-10-01

    Full Text Available Transition metal complexes of chalcones derived from the conden¬sation of 3-acetyl-6-methyl-2H-pyran-2,4(3H-dione (dehydroacetic acid and p-methoxybenzaldehyde (HL1 or p-nitrobenzaldehyde (HL2 were synthesized and characterized by elemental analysis, conductometry, thermal analysis, magnetic measurements, IR, 1H-NMR, UV–Vis spectroscopy and a microbial study. From the analytical and thermal data, the stoichiometry of the complexes was found to be 1:2 (metal:ligand. The molar conductance data revealed that all the metal chelates were non-electrolytes. The thermal stability of the complexes was studied by thermogravimetry and the decomposition schemes of the complexes are given. The ligands and their metal complexes were screened for antibacterial activity against Staphylococcus aureus and Escherichia coli, and fungicidal activity against Aspergillus flavus, Curvularia lunata and Penicillium notatum.

  3. Novel biphenyl ester derivatives as tyrosinase inhibitors: Synthesis, crystallographic, spectral analysis and molecular docking studies.

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    Huey Chong Kwong

    Full Text Available Biphenyl-based compounds are clinically important for the treatments of hypertension and inflammatory, while many more are under development for pharmaceutical uses. In the present study, a series of 2-([1,1'-biphenyl]-4-yl-2-oxoethyl benzoates, 2(a-q, and 2-([1,1'-biphenyl]-4-yl-2-oxoethyl pyridinecarboxylate, 2(r-s were synthesized by reacting 1-([1,1'-biphenyl]-4-yl-2-bromoethan-1-one with various carboxylic acids using potassium carbonate in dimethylformamide at ambient temperature. Single-crystal X-ray diffraction studies revealed a more closely packed crystal structure can be produced by introduction of biphenyl moiety. Five of the compounds among the reported series exhibited significant anti-tyrosinase activities, in which 2p, 2r and 2s displayed good inhibitions which are comparable to standard inhibitor kojic acid at concentrations of 100 and 250 μg/mL. The inhibitory effects of these active compounds were further confirmed by computational molecular docking studies and the results revealed the primary binding site is active-site entrance instead of inner copper binding site which acted as the secondary binding site.

  4. Synthesis, characterization, spectral, thermal analysis and computational studies of thiamine complexes

    Science.gov (United States)

    Masoud, Mamdouh S.; Ghareeb, Doaa A.; Ahmed, Shahenda Sh.

    2017-06-01

    Thiamine metal complexes were synthesized and characterized by elemental analysis, IR, electronic spectra, magnetic susceptibility, ESR spectra of Cu(II) complex and EDX for structural investigation of the complexes to know their geometries and mode of bonding. All the manganese, iron, copper, zinc, tungsten and mercury complexes are with octahedral geometry, while cobalt and nickel complexes are with tetrahedral geometry. The selenium and palladium complexes are with square planner geometry, while vanadium complex with stoichiometry (2:1) is with square pyramidal geometry. The thermal properties of the complexes were examined. The kinetic thermodynamic parameters were estimated from the TGA and DTA curves. Molecular modeling of the ligand and its complexes was performed using PC computer to give extra spot lights on the bonding properties of these compounds. Some theoretical studies were carried out to obtain the charges, bond lengths, bond angles and dihedral angles, energies of highest occupied molecular orbital (EHOMO), energies of lowest unoccupied molecular orbital (ELUMO), the separation energy (ΔE), chemical potential, electronegativity, hardness, softness, ionization potential and electron affinity of the studied ligand and its complexes. Correlation analysis was done to explore the relationships between some different parameters of the studied complexes.

  5. Synthesis, crystal structure, and spectral studies of 10-(2-Benzothiazolylazo)-9-phenanthrol

    Science.gov (United States)

    Davydov, V. V.; Sokol, V. I.; Polyanskaya, N. A.; Linko, R. V.; Ryabov, M. A.; Sergienko, V. S.

    2012-03-01

    10-(2-Benzothiazolylazo)-9-phenanthrol ( L) is prepared by a reaction of 2-hydrazinobenzothiazol with 9,10-phenanthrenequinone. The crystal and molecular structure of the L·CHCl3 solvate is determined by X-ray diffraction. The data of the X-ray diffraction study, as well as IR, 1H NMR, and electronic absorption spectra, indicate that in the crystal state and solutions the L molecule exists in the form of a quinohydrazone tautomer ( b) ( s-trans, cis) stabilized by the intramolecular N2-HN2…O1 hydrogen bond. The "mobile" H atom is located at the N2 atom of the azo group. The benzothiazolyl and phenanthrenequinone fragments are nearly coplanar. Spectroscopic criteria for the state of L in various media are determined based on the data of IR, 1H NMR, and electronic absorption spectroscopy and the results of the Pariser-Parr-Pople quantum-chemical calculations.

  6. Synthesis, crystal structure, and spectral studies of 10-(2-Benzothiazolylazo)-9-phenanthrol

    International Nuclear Information System (INIS)

    Davydov, V. V.; Sokol, V. I.; Polyanskaya, N. A.; Linko, R. V.; Ryabov, M. A.; Sergienko, V. S.

    2012-01-01

    10-(2-Benzothiazolylazo)-9-phenanthrol (L) is prepared by a reaction of 2-hydrazinobenzothiazol with 9,10-phenanthrenequinone. The crystal and molecular structure of the L·CHCl 3 solvate is determined by X-ray diffraction. The data of the X-ray diffraction study, as well as IR, 1 H NMR, and electronic absorption spectra, indicate that in the crystal state and solutions the L molecule exists in the form of a quinohydrazone tautomer (b) (s-trans, cis) stabilized by the intramolecular N 2 -HN 2 …O1 hydrogen bond. The “mobile” H atom is located at the N2 atom of the azo group. The benzothiazolyl and phenanthrenequinone fragments are nearly coplanar. Spectroscopic criteria for the state of L in various media are determined based on the data of IR, 1 H NMR, and electronic absorption spectroscopy and the results of the Pariser-Parr-Pople quantum-chemical calculations.

  7. Synthesis, spectral studies and antimicrobial activities of some 2-naphthyl pyrazoline derivatives

    Science.gov (United States)

    Sakthinathan, S. P.; Vanangamudi, G.; Thirunarayanan, G.

    A series of 2-naphthyl pyrazolines were synthesized by the cyclization of 2-naphthyl chalcones and phenylhydrazine hydrochloride in the presence of sodium acetate. The yields of pyrazoline derivatives are more than 80%. The synthesized pyrazolines were characterized by their physical constants, IR, 1H, 13C and MS spectra. From the IR and NMR spectra the Cdbnd N (cm-1) stretches, the pyrazoline ring proton chemical shifts (ppm) of δ, Hb and Hc and also the carbon chemical shifts (ppm) of δCdbnd N are correlated with Hammett substituent constants, F and R, and Swain-Lupton's parameters using single and multi-regression analyses. From the results of linear regression analysis, the effect of substituents on the group frequencies has been predicted. The antimicrobial activities of all synthesized pyrazolines have been studied.

  8. Synthesis, spectral characterization, DNA interaction, radical scavenging and cytotoxicity studies of ruthenium(II) hydrazone complexes.

    Science.gov (United States)

    Mohanraj, Maruthachalam; Ayyannan, Ganesan; Raja, Gunasekaran; Jayabalakrishnan, Chinnasamy

    2016-05-01

    Three new ruthenium(II) complexes with hydrazone ligands, furan-2-carboxylic acid (2,4-dihydroxy-benzylidene)-hydrazide (HL(1)), furan-2-carboxylic acid [4-(ethyl-propyl-amino)-2-hydroxy-benzylidene]-hydrazide (HL(2)) and furan-2-carboxylic acid (3-ethoxy-2-hydroxy-benzylidene)-hydrazide (HL(3)) were synthesized and characterized by various spectro-analytical techniques. The hydrazone ligands act as a tridendate ligand with ONO as the donor sites and are preferably found in the enol form in all the complexes. The molecular structure of the ligands was determined by single crystal X-ray diffraction technique. The interaction of the ligands and the complexes with CT-DNA were evaluated by an absorption titration method which revealed that the compounds interact with CT-DNA through intercalation. Gel electrophoresis assay demonstrated the ability of the complexes to cleave the calf thymus DNA hydrolytically. Antioxidant studies showed that the ruthenium(II) complexes have a strong radical-scavenging properties. Further, the cytotoxic effect of the compounds examined on cancerous cell lines showed that the complexes exhibited substantial anticancer activity. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. SOCl2 catalyzed cyclization of chalcones: Synthesis and spectral studies of some bio-potent 1H pyrazoles

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    K. Ranganathan

    2014-05-01

    Full Text Available Some aryl-aryl 1H pyrazoles have been synthesised by cyclization of aryl chalcones and hydrazine hydrate in the presence of SOCl2. The yields of the pyrazoles are more than 85%. These pyrazoles are characterized by their physical constants and spectral data. The infrared, NMR spectral group frequencies of these pyrazolines have been correlated with Hammett substituent constants, F and R parameters. From the results of statistical analyses the effects of substituent on the spectral frequencies have been studied. The antimicrobial activities of all synthesised pyrazolines have been studied using Bauer-Kirby method. DOI: http://dx.doi.org/10.4314/bcse.v28i2.11

  10. Synthesis, spectral studies, antimicrobial, antioxidant and insect antifeedant activities of some 9 H-fluorene-2-yl keto-oxiranes

    Science.gov (United States)

    Thirunarayanan, G.; Vanangamudi, G.

    2011-10-01

    Thirteen ee (α S, β R) 9 H-fluorene-2-yl keto-oxiranes (2-(9 H)-fluorene-4-yl[3-(substituted phenyl)oxiran-2-yl]methanones) have been synthesized by phase transfer catalysed epoxidation of 9 H-fluorene-2-yl chalcones. The yields of oxiranes are more than 95%. The synthesized oxiranes have been characterized by IR, 1H, 13C and GC-MS spectral data. The spectral data are correlated with Hammett substituent constants and Swain-Lupton parameters. From the regression analysis, the effect of substituents on the group frequencies has been predicted. The antimicrobial, antioxidant and insect antifeedant activities of all the synthesized oxiranes have been studied.

  11. SYNTHESIS, SPECTRAL AND THERMAL PROPERTIES OF SOME ...

    African Journals Online (AJOL)

    The infrared spectral studies reveal that the ligand HNAAPTS is coordinated in neutral tridentate (N,N,S) fashion. The coordination number of Th(IV) in these coordination compounds varies from 6, 8, 10 or 11; while for U(VI) the coordination number are 8, 9 or 10. Thermal stabilities of these complexes were investigated ...

  12. Synthesis and spectral studies of Pd(II) complexes with 2, 3-disubstituted quinazolin-(3H)-4-ones

    International Nuclear Information System (INIS)

    Prabhakar, B.; Lingaiah, P.; Laxima Reddy, K.

    1991-01-01

    A number of palladium(II) complexes of bidentate O-O and O-N donors, 2,3-disubstituted quinazoline-(3H)-4-ones, have been synthesized and characterized based on analytical, conductivity, magnetic, thermal, IR, electronic and PMR spectral data. The complexes of Pd(II) with ligands such as 2-(R)-3-(X)-substituted quinazoline-(3H)-4-ones, where R=methyl/phenyl and X=2'-hydroxybenzalimino (MHBQ/PHBQ), carboxymethyl (MCMQ/PCMQ), furfuralimino (MFQ/PFQ), acetamino (MAQ/PAQ), uramino (MUQ/PUQ) and thiouramino (MTUQ/PTUQ), yielded the complexes of the type [Pd(O-N) 2 ]Cl 2 and [Pd(O-O) 2 ]. The IR and PMR spectral data of the metal complexes indicate that MHQB, PHQB, MCMQ, and PCMQ act as uninegative bidentate ligands whereas MFQ, PFQ, MAQ, PAQ, MUQ, PUQ, MTUQ and PTUQ act as neutral bidentate ligands. The electronic spectral studies of these complexes indicate that they were square-planar geometry. (author). 23 refs., 2 tabs

  13. Designing, synthesis and spectral characterization of Schiff base transition metal complexes: DNA cleavage and antimicrobial activity studies

    Directory of Open Access Journals (Sweden)

    N. RAMAN

    2008-10-01

    Full Text Available A new series of transition metal complexes of Cu(II, Ni(II, Co(II and Zn(II have been designed and synthesized using a Schiff base (L derived from 4-aminoantipyrine, benzaldehyde and o-phenylenediamine. The structural features were derived from their elemental analyses, magnetic susceptibility and molar conductivity, as well as from mass, IR, UV–Vis, 1H-NMR and ESR spectral studies. The FAB mass spectral data and elemental analyses showed that the complexes had a composition of the ML type. The UV–Vis and ESR spectral data of the complexes suggested a square-planar geometry around the central metal ion. The magnetic susceptibility values of the complexes indicated that they were monomeric in nature. Antimicrobial screening tests were also performed against four bacteria, viz. Salmonella typhi, Staphylococcus aureus, Escherichia coli, and Bacillus subtilis and three fungi, viz. Aspergillus niger, Aspergillus flavus and Rhizoctonia bataicola. These data gave good results in the presence of metal ion in the ligand system. The nuclease activity of the above metal complexes shows that only the copper complex cleaves CT DNA in the presence of an oxidant.

  14. Studies on Synthesis and Spectral Characterization of Some Transition Metal Complexes of Azo-Azomethine Derivative of Diaminomaleonitrile

    Directory of Open Access Journals (Sweden)

    C. Anitha

    2013-01-01

    Full Text Available New complexes of 2,3-bis(5-(4-chlorophenyldiazenyl-2-hydroxybenzylideneaminomaleonitrile (CDHBDMN with VO(II, Mn(II, Co(II, Ni(II, Cu(II, and Zn(II were synthesized and characterized by analytical and physicochemical techniques, that is, elemental analyses, molar conductivity, UV, IR, EPR, 1H-NMR spectra, magnetic susceptibility and also by aid of scanning electron microscopy (SEM, nonlinear optical study (NLO, fluorescence spectral studies, and solvatochromic behaviors. Electronic and magnetic susceptibility measurements of the complexes indicate square pyramidal geometry for VO(II, octahedral for Ni(II, and square planar geometry for all the other complexes. The EPR spectral data provide information about their structures on the basis of Hamiltonian parameters and the degree of covalency. These metal complexes were also tested for their antibacterial and antifungal activities to assess their inhibiting potential. Metal-mediated fluorescence enhancement is observed on complexation of the azo Schiff base ligand. The synthesized compounds were investigated for nonlinear optical properties, and the surface morphology of the Cu(II complex was studied by scanning electron microscopy.

  15. Synthesis and some spectral properties of diphenylsilicon salicylate ...

    African Journals Online (AJOL)

    Synthesis and some spectral properties of diphenylsilicon salicylate and a comparision of the antifungal efficacy of diphenylsilicon chloride, acetate and salicylate and diphenyltin chloride, acetate and salicylate on Candida albicans.

  16. Unsymmetrical Schiff base (ON) ligand on complexation with some transition metal ions: synthesis, spectral characterization, antibacterial, fluorescence and thermal studies.

    Science.gov (United States)

    Ali, Omyma A M; El-Medani, Samir M; Abu Serea, Maha R; Sayed, Abeer S S

    2015-02-05

    A series of eight metal Schiff base complexes were synthesized by the thermal reaction of Cu(II), Ni(II), Fe(III), Co(II), Zn(II), Hg(II), La(III) or Sm(III) with a Schiff base "L" produced by the condensation of furfuraldehyde and 1,2-diaminobenzene. These compounds were characterized by elemental analysis, UV-Vis, FT-IR, molar conductance, mass spectrometry, thermal and fluorescence studies. The studies suggested the coordination of the ligand L to metal through azomethine imine nitrogen and furan oxygen atoms of Schiff base moiety. Thermogravimetric (TG/DTG) analyses data were studied and indicated high stability for all complexes and suggested the presence of lattice and/or coordinated water molecules in the complexes. Coats-Redfern method has been used to calculate the kinetic and thermodynamic parameters of the metal complexes. The spectral and thermal analysis reveal that all complexes have octahedral geometry except Cu(II) and Ni(II) complexes which can attain a square planner arrangements. The ligand and its complexes exhibited intraligand (π-π(∗)) fluorescence and can potentially serve as photoactive materials. Both the ligand and its complexes have been screened for antibacterial activities. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Synthesis, Characterization and Spectral Studies of Noble Heterobinuclear Complexes of Transition Metal Ions and their Biological Activity

    Directory of Open Access Journals (Sweden)

    Netra Pal Singh

    2011-01-01

    Full Text Available Some noble heterobinuclear complexes of transition metal ions with bis(salicylaldehydemalonyl-dihydrazone in the presence of 5-nitroindazole Cu(II / Ni(II- chloride of the type [ML1M‘L2Cl2] or [ML1FeL2Cl2]Cl, where M = Ni(II, Cu(II and M' = Mn(II, Co(II, have been prepared. All the complexes have been characterized by IR, UV vis and EPR spectroscopy, elemental analysis, magnetic moment and molar conductance measurement. Spectral studies and magnetic moment measurement in DMF suggest the covalent nature of the complexes, except the [ML1FeL2Cl2]Cl complex which is 1:1 electrolyte. An octahedral geometry is proposed for M‘ and square planer for M for the heterobinuclear complexes. The low value of magnetic moment and overlapping EPR signals are due to spin crossover since both of the metals have unpaired electrons with same molecular symmetry. The lowering of the magnetic moment has been discussed. The biological activity (antifungal and antibacterial of the represented compounds has been studied.

  18. Synthesis, spectral, antitumor and antimicrobial studies on Cu(II) complexes of purine and triazole Schiff base derivatives

    Science.gov (United States)

    Amer, Said; El-Wakiel, Nadia; El-Ghamry, Hoda

    2013-10-01

    A series of copper (II) complexes of Schiff bases derived from 7H-2,6-diaminopurine and 4H-3,5-diamino-1,2,4-triazole with 2-pyridinecarbaldehyde, salicylaldehyde, 2,4-dihydroxybenzaldehyde and 2-hydroxy-1-naphthaldehyde have been prepared. The donor atoms and the possible geometry of the complexes were investigated by means of elemental and thermal analyses, molar conductance, magnetic moment, UV-Vis, IR, ESR and mass spectra. The ligands behaved as tetradentate, coordinating through the nitrogen atom of the azomethine group and the nearest nitrogen atom to it or oxygen atom of α-hydroxyl group. The results of simultaneous DTA & TGA analyses of the complexes showed the final degradation product for these complexes is CuO. The spectral studies confirmed a four coordinate environment around the metal ion. The obtained results were supported by 3D molecular modeling of complexes using molecular mechanics (MM+) and semiempirical molecular orbital calculations (PM3). These complexes were also tested for their in vitro antimicrobial activities against some bacterial and fungal strains. Complex 2 was investigated for its cyctotoxic effect against human breast cancer (MCF7), liver carcinoma (HEPG2) and colon carcinoma cell lines (HCT116). This compound exhibited a moderate activity against the tested cell lines with IC50 of 10.3, 9.8 and 8.7 μg/ml against MCF7, HCT116 and HEPG2, respectively.

  19. Synthesis, spectral characterisation, morphology, biological activity and DNA cleavage studies of metal complexes with chromone Schiff base

    Directory of Open Access Journals (Sweden)

    P. Kavitha

    2016-07-01

    Full Text Available Cu(II, Co(II, Ni(II and Zn(II complexes have been synthesized using 3-((pyridine-2-yliminomethyl-4H-chromen-4-one as a ligand derived from 3-formyl chromone and 2-amino pyridine. All the complexes were characterised by analytical, conductivity, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data revealed that the metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the complexes are neutral in nature. On the basis of magnetic and electronic spectral data, octahedral geometry is proposed for all the complexes. Thermal behaviour of the synthesized complexes indicates the coordinated and lattice water molecules are present in the complexes. The X-ray diffraction data suggest a triclinic system for all compounds. Different surface morphologies were identified from SEM micrographs. All metal complexes exhibit fluorescence. The antimicrobial and nematicidal activity data show that metal complexes are more potent than the parent ligand. The DNA cleavage activity of the ligand and its metal complexes were observed in the presence of H2O2.

  20. Synthesis and spectral studies on metal complexes of s-triazine based ligand and non linear optical properties

    Science.gov (United States)

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

    2014-11-01

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

  1. Mixed-ligand copper(II) phenolate complexes: Synthesis, spectral characterization, phosphate-hydrolysis, antioxidant, DNA interaction and cytotoxic studies

    Science.gov (United States)

    Gurumoorthy, Perumal; Mahendiran, Dharmasivam; Prabhu, Durai; Arulvasu, Chinnasamy; Rahiman, Aziz Kalilur

    2015-01-01

    A series of phenol-based mixed-ligand copper(II) complexes of the type [CuL1-4(diimine)] (1-8), where L1-4 = N1,N2-bis(5-substituted-2-hydroxybenzylidene)-1,2-ethylene/phenylenediimine and diimine = 2,2‧-bipyridyl (bpy) or 1,10-phenanthroline (phen), have been isolated and fully characterized by analytical and spectral techniques. Electronic spectra of complexes suggest Cu(II) cation has a d9 electronic configuration, adopting distorted octahedral geometry with axial elongation, due to Jahn-Teller effect. Electrochemical studies of complexes evidenced one-electron irreversible reduction wave in the cathodic region. The observed rate constant (k) values for the hydrolysis of 4-nitrophenylphosphate (4-NPP) are in the range of 0.25-3.82 × 10-2 min-1. The obtained room temperature magnetic moment values (1.79-1.90 BM) lies within the range observed for octahedral copper(II) complexes. Antioxidant studies revealed that these complexes possess considerable radical scavenging potency against DPPH. The binding studies of complexes with calf thymus DNA (CT-DNA) revealed intercalation with minor-groove binding, and the complex 4 exhibits highest binding activity than the other complexes. The cleavage activity on supercoiled pBR322 DNA revealed the involvement of hydroxyl radical and singlet-oxygen as reactive oxygen species, and complexes encourage binding to minor-groove. Further, the cytotoxicity of complex 4 on human hepatocellular liver carcinoma HepG2 cell line implies the cell death through apoptosis.

  2. Synthesis and spectral studies on Cd(II) dithiocarbamate complexes and their use as precursors for CdS nanoparticles

    Science.gov (United States)

    Sathiyaraj, Ethiraj; Padmavathy, Krishnaraj; Kumar, Chandran Udhaya; Krishnan, Kannan Gokula; Ramalingan, Chennan

    2017-11-01

    Bis(N-cyclopropyl-N-4-chlorobenzyldithiocarbamato-S,S‧)cadmium(II) (1) and (2,2‧-bipyridine) bis(N-cyclopropyl-N-4-chlorobenzyldithiocarbamato-S,S‧)cadmium(II) (2) have been synthesized and characterized by FT-IR, 1HNMR and 13C NMR analyses. For the complex 2, single crystal X-ray diffraction analysis and computational studies (optimized geometry, HOMO-LUMO and MEP) have been executed employing DFT/B3LYP method with LANL 2DZ basic set. The optimized bond lengths and bond angles agree well with the experimental results. The complexes 1 and 2 have been used as single source precursors for the synthesis of ethyleneglycol capped CdS1 and CdS2 nanoparticles, respectively. CdS1 and CdS2 nanoparticles have been synthesized by solvothermal method. PXRD, SEM, Elemental colour mapping, EDAX, TEM and UV-Vis spectroscopy have been used to characterize the as-prepared CdS nanoparticles. The X-ray diffraction pattern confirms both their hexagonal structures.

  3. Synthesis and Spectral Evaluation of Some Unsymmetrical Mesoporphyrinic Complexes

    Directory of Open Access Journals (Sweden)

    Rica Boscencu

    2012-06-01

    Full Text Available Synthesis and spectral evaluation of new zinc and copper unsymmetrical mesoporphyrinic complexes are reported. Zn(II-5-(4-acetoxy-3-methoxyphenyl-10,15,20-tris-(4-carboxymethylphenylporphyrin, Zn(II-5-[(3,4-methylenedioxyphenyl]-10,15,20-tris-(4-carboxymethylphenylporphyrin, Cu(II-5-(4-acetoxy-3-methoxyphenyl-10,15,20-tris-(4-carboxymethylphenylporphyrin and Cu(II-5-[(3,4-methylenedioxyphenyl]-10,15,20-tris-(4-carboxymethylphenylporphyrin were synthesized using microwave-assisted synthesis. The complexes were characterized by elemental analysis, FT-IR, UV-Vis, EPR and NMR spectroscopy, which fully confirmed their structure. The spectral absorption properties of the porphyrinic complexes were studied in solvents with different polarities. Fluorescence emission and singlet oxygen formation quantum yields were evaluated for the compounds under study, revealing high yields for the zinc derivatives. The copper complexes are not emissive and only display residual capacity for singlet oxygen formation.

  4. Synthesis, spectral, characterization, catalytic and biological studies of new RuII N2O Schiff base complexes

    International Nuclear Information System (INIS)

    Balasubramanian, K.P.; Manivannan, S.; Chinnusamy, V.

    2008-01-01

    Complexes of the type (RuCl(CO)(B)(L)) (B = PPh 3 , AsPh 3 , py or pip; L monobasic tridentate Schiff base) have been synthesized by the reaction of equimolar amounts of (RuHCl(CO)(EPh 3 ) 2 (B)) and Schiff bases in benzene. The resulting complexes have been characterized by analytical and spectral (IR, electronic, NMR) data. An octahedral structure has been assigned to all these complexes. The new complexes have been exhibit catalytic activity for the oxidation of benzyl alcohol and cyclohexanol in the presence of N-methylmorpholine-N-oxide as co-oxidant. (author)

  5. Synthesis and Spectral Characterization of Some New ...

    African Journals Online (AJOL)

    NJD

    O=P and N-H....O=C hydrogen bonds in1aand4b, respectively. In all the synthesized molecules, similar spectral patterns were obtained in the 13C NMR spectra for carbon atoms of cyclic amines with 2JPNC = 0 and 3JPNC ranging from 4 to 6 Hz. KEYWORDS. Carbacylamidophosphates, hydrogen bonds, IR spectroscopy, ...

  6. Synthesis, spectral characterization and redox properties of iron (II ...

    Indian Academy of Sciences (India)

    Unknown

    Synthesis, spectral characterization and redox properties of iron. (II) complexes of 1-alkyl-2-(arylazo)imidazole. U S RAY, D BANERJEE and C SINHA*. Department of Chemistry, The University of Burdwan, Burdwan 713 104,. India e-mail: c_r_sinha@yahoo.com. MS received 26 February 2003; revised 12 May 2003.

  7. Synthesis, spectral characterization and antihaemostatic activity of 1 ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 118; Issue 2. Synthesis, spectral characterization and antihaemostatic activity of 1,2,4-triazoles ... Author Affiliations. Ravindra R Kamble1 Belgur S Sudha1. Department of Chemistry and Food Science, Yuvaraja's College, University of Mysore, Mysore 570 005 ...

  8. An efficient synthesis, X-ray and spectral characterization of ...

    Indian Academy of Sciences (India)

    An efficient synthesis, X-ray and spectral characterization of biphenyl derivatives. Ravindra R Kamble Dharesh B Biradar Gangadhar Y Meti Tasneem Taj Tegginamath Gireesh Imthiyaz Ahmed M Khazi Sundar T Vaidyanathan Raju Mohandoss Balasubramanian Sridhar Viraraghav Parthasarathi. Volume 123 Issue 4 July ...

  9. Binuclear ruthenium(III) bis(thiosemicarbazone) complexes: synthesis, spectral, electrochemical studies and catalytic oxidation of alcohol.

    Science.gov (United States)

    Mohamed Subarkhan, M; Ramesh, R

    2015-03-05

    A new series of binuclear ruthenium(III) thiosemicarbazone complexes of general formula [(EPh3)2(X)2Ru-L-Ru(X)2(EPh3)2] (where E=P or As; X=Cl or Br; L=NS chelating bis(thiosemicarbazone ligands) has been synthesized and characterized by analytical and spectral (FT-IR, UV-Vis and EPR). IR spectra show that the thiosemicarbazones behave as monoanionic bidentate ligands coordinating through the azomethine nitrogen and thiolate sulphur. The electronic spectra of the complexes indicate that the presence of d-d and intense LMCT transitions in the visible region. The complexes are paramagnetic (low spin d(5)) in nature and all the complexes show rhombic distortion around the ruthenium ion with three different 'g' values (gx≠gy≠gz) at 77K. All the complexes are redox active and exhibit an irreversible metal centered redox processes (Ru(III)-Ru(III)/Ru(IV)-Ru(IV); Ru(III)-Ru(III)/Ru(II)-Ru(II)) within the potential range of 0.38-0.86V and -0.39 to -0.66 V respectively, versus Ag/AgCl. Further, the catalytic efficiency of one of the complexes [Ru2Cl2(AsPh3)4(L1)] (4) has been investigated in the case of oxidation of primary and secondary alcohols into their corresponding aldehydes and ketones in the presence of N-methylmorpholine-N-oxide(NMO) as co-oxidant. The formation of high valent Ru(V)O species is proposed as catalytic intermediate for the catalytic cycle. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. RADIATION SPECTRAL SYNTHESIS OF RELATIVISTIC FILAMENTATION

    International Nuclear Information System (INIS)

    Frederiksen, Jacob Trier; Haugboelle, Troels; Medvedev, Mikhail V.; Nordlund, Ake

    2010-01-01

    Radiation from many astrophysical sources, e.g., gamma-ray bursts and active galactic nuclei, is believed to arise from relativistically shocked collisionless plasmas. Such sources often exhibit highly transient spectra evolving rapidly compared with source lifetimes. Radiation emitted from these sources is typically associated with nonlinear plasma physics, complex field topologies, and non-thermal particle distributions. In such circumstances, a standard synchrotron paradigm may fail to produce accurate conclusions regarding the underlying physics. Simulating spectral emission and spectral evolution numerically in various relativistic shock scenarios is then the only viable method to determine the detailed physical origin of the emitted spectra. In this Letter, we present synthetic radiation spectra representing the early stage development of the filamentation (streaming) instability of an initially unmagnetized plasma, which is relevant for both collisionless shock formation and reconnection dynamics in relativistic astrophysical outflows as well as for laboratory astrophysics experiments. Results were obtained using a highly efficient in situ diagnostics method, based on detailed particle-in-cell modeling of collisionless plasmas. The synthetic spectra obtained here are compared with those predicted by a semi-analytical model for jitter radiation from the filamentation instability, the latter including self-consistent generated field topologies and particle distributions obtained from the simulations reported upon here. Spectra exhibit dependence on the presence-or the absence-of an inert plasma constituent, when comparing baryonic plasmas (i.e., containing protons) with pair plasmas. The results also illustrate that considerable care should be taken when using lower-dimensional models to obtain information about the astrophysical phenomena generating observed spectra.

  11. Synthesis, spectral and luminescence study, crystal structure determination and DFT calculation of binuclear palladium(II) complexes

    Science.gov (United States)

    Seyfi, S.; Alizadeh, R.; Darvish Ganji, M.; Amani, V.

    2018-02-01

    Binuclear palladium(II) complexes with metal-metal (d8-d8) bonding interaction were synthesized by reactions of the 1-methyl-1H-1,2,3,4-tetrazole-5-thiol (Hmtzt) or a mixture of Hmtzt and 1,3-propanediamine (1,3-pda) ligands. Complex [Pd2(μ-mtzt)4]·2CH3CN (1) was synthesized by the reaction of Pd(OAc)2 with Hmtzt dissolved in acetonitrile and complex [Pd2(μ-mtzt)2(mtzt)2(1,3-pda)] (2) was synthesized by reaction of a mixture of Hmtzt and 1,3-propanediamine (dissolved in methanol) with PdCl2 (dissolved in acetonitrile) and were identified through elemental analysis, IR, UV-Vis, 1H NMR, luminescence spectroscopy as well as single-crystal X-ray diffraction method. A single-crystal of complex 1 shows that two Pd(II) centers are linked together by four bridging tetrazole ligands providing a paddle wheel-like arrangement. Also a crystal structure of complex 2 shows that this complex possesses a symmetric structure in which one Pd atom is tetra-coordinated by four sulfur atoms to forms PdS4 and other Pd atom is tetra-coordinated by four nitrogen to forms PdN4 coordination sphere. Density functional theory (DFT) was performed in this study for the Hmtzt ligand and binuclear palladium(II) complexes (1) and (2). The DFT calculation shows PdII-PdII bond lengths of 2.831 and 3.086 Å in complex 1 and 2, respectively which are close to the observed bond lengths of 2.802(11) and 3.0911(17) Å from single-crystal X-ray structure. The optimized geometry of the complexes is shown good agreement by X-ray data. Structural properties and molecular descriptors including bond lengths, bond angles, chemical hardness, dipole moment, HOMO-LUMO energy levels, electron transfer were analyzed. The IR spectroscopy was performed using VEDA4 software and UV-Vis spectra were analyzed using time-dependent density functional theory (TD-DFT) method. The theoretical and experimental data were also compared with each other.

  12. Synthesis, spectral and luminescence study, crystal structure determination and DFT calculation of binuclear palladium(II) complexes.

    Science.gov (United States)

    Seyfi, S; Alizadeh, R; Darvish Ganji, M; Amani, V

    2018-02-05

    Binuclear palladium(II) complexes with metal-metal (d 8 -d 8 ) bonding interaction were synthesized by reactions of the 1-methyl-1H-1,2,3,4-tetrazole-5-thiol (Hmtzt) or a mixture of Hmtzt and 1,3-propanediamine (1,3-pda) ligands. Complex [Pd 2 (μ-mtzt) 4 ]·2CH 3 CN (1) was synthesized by the reaction of Pd(OAc) 2 with Hmtzt dissolved in acetonitrile and complex [Pd 2 (μ-mtzt) 2 (mtzt) 2 (1,3-pda)] (2) was synthesized by reaction of a mixture of Hmtzt and 1,3-propanediamine (dissolved in methanol) with PdCl 2 (dissolved in acetonitrile) and were identified through elemental analysis, IR, UV-Vis, 1 H NMR, luminescence spectroscopy as well as single-crystal X-ray diffraction method. A single-crystal of complex 1 shows that two Pd(II) centers are linked together by four bridging tetrazole ligands providing a paddle wheel-like arrangement. Also a crystal structure of complex 2 shows that this complex possesses a symmetric structure in which one Pd atom is tetra-coordinated by four sulfur atoms to forms PdS 4 and other Pd atom is tetra-coordinated by four nitrogen to forms PdN 4 coordination sphere. Density functional theory (DFT) was performed in this study for the Hmtzt ligand and binuclear palladium(II) complexes (1) and (2). The DFT calculation shows Pd II -Pd II bond lengths of 2.831 and 3.086Å in complex 1 and 2, respectively which are close to the observed bond lengths of 2.802(11) and 3.0911(17)Å from single-crystal X-ray structure. The optimized geometry of the complexes is shown good agreement by X-ray data. Structural properties and molecular descriptors including bond lengths, bond angles, chemical hardness, dipole moment, HOMO-LUMO energy levels, electron transfer were analyzed. The IR spectroscopy was performed using VEDA4 software and UV-Vis spectra were analyzed using time-dependent density functional theory (TD-DFT) method. The theoretical and experimental data were also compared with each other. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Solvent-free synthesis of azomethines, spectral correlations and ...

    African Journals Online (AJOL)

    These spectral data have been correlated with Hammett substituent constants and F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. The antimicrobial activities of all imines have been studied ...

  14. Synthesis, Spectral, Magnetic and Thermal Studies of the Complexes of CoII and NiII With Some Bidentate and Tridentate Hydrazone Ligands

    Directory of Open Access Journals (Sweden)

    Chetan K. Modi

    2005-01-01

    Full Text Available The reaction of Co(NO32.6H2O and Ni(NO32.6H2O with hydrazones derived from 1-phenyl-3-methyl-4-acyl-5-pyrazolone (where acyl = acetyl, propionyl, butyryl and benzoyl with 2-picolinic acid hydrazide have been studied and characterized on the basis of elemental analysis, magnetic moments, molar conductivity measurements, IR and electronic spectral studies and thermogravimetric analysis. Various ligand field parameters have been calculated. Electronic spectral data and the magnetic moment values suggest an octahedral structure for all cobalt(II and nickel(II complexes.

  15. SYNTHESIS, IR AND NMR SPECTRAL CORRELATIONS IN SOME ...

    African Journals Online (AJOL)

    Preferred Customer

    correlated with Hammett substituent constants, F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. KEY WORDS: Diimines, IR and NMR spectra, Spectral correlation, Hammett sigma constants.

  16. Spectral Envelopes and Additive + Residual Analysis/Synthesis

    Science.gov (United States)

    Rodet, Xavier; Schwarz, Diemo

    The subject of this chapter is the estimation, representation, modification, and use of spectral envelopes in the context of sinusoidal-additive-plus-residual analysis/synthesis. A spectral envelope is an amplitude-vs-frequency function, which may be obtained from the envelope of a short-time spectrum (Rodet et al., 1987; Schwarz, 1998). [Precise definitions of such an envelope and short-time spectrum (STS) are given in Section 2.] The additive-plus-residual analysis/synthesis method is based on a representation of signals in terms of a sum of time-varying sinusoids and of a non-sinusoidal residual signal [e.g., see Serra (1989), Laroche et al. (1993), McAulay and Quatieri (1995), and Ding and Qian (1997)]. Many musical sound signals may be described as a combination of a nearly periodic waveform and colored noise. The nearly periodic part of the signal can be viewed as a sum of sinusoidal components, called partials, with time-varying frequency and amplitude. Such sinusoidal components are easily observed on a spectral analysis display (Fig. 5.1) as obtained, for instance, from a discrete Fourier transform.

  17. Hassle free synthesis of nanodimensional Ni, Cu and Zn sulfides for spectral sensing of Hg, Cd and Pb: A comparative study.

    Science.gov (United States)

    Ansari, Zarina; Singha, Shib Shankar; Saha, Abhijit; Sen, Kamalika

    2017-04-05

    A simple room temperature synthesis method of Ni, Cu and Zn sulfide nanoparticles (NPs) in aqueous medium is reported here. The NPs stabilized in aqueous medium by the citrate ions were characterized by UV-vis, ζ potentials, TEM and Raman spectroscopic techniques. The solid NPs could be isolated from the aqueous medium when allowed to stand for a prolonged time (~20h). The solids were also characterized by IR and powder X-ray analysis. The nanoparticles were further used for the development of facile optical sensing and detection of heavy metal ions at trace scale. Alterations in the absorption spectra of the generated NPs were indicative of their interactions with heavy metal ions. Raman spectral measurements further validate the detection technique. It is found that out of the three synthesized nanoparticles, nickel sulfide NP is a specific sensor for mercury ions whereas zinc sulfide and copper sulfide NPs act as sensors for Hg 2+ , Cd 2+ and Pb 2+ . Copyright © 2017 Elsevier B.V. All rights reserved.

  18. NESSY: NLTE spectral synthesis code for solar and stellar atmospheres

    Science.gov (United States)

    Tagirov, R. V.; Shapiro, A. I.; Schmutz, W.

    2017-07-01

    Context. Physics-based models of solar and stellar magnetically-driven variability are based on the calculation of synthetic spectra for various surface magnetic features as well as quiet regions, which are a function of their position on the solar or stellar disc. Such calculations are performed with radiative transfer codes tailored for modeling broad spectral intervals. Aims: We aim to present the NLTE Spectral SYnthesis code (NESSY), which can be used for modeling of the entire (UV-visible-IR and radio) spectra of solar and stellar magnetic features and quiet regions. Methods: NESSY is a further development of the COde for Solar Irradiance (COSI), in which we have implemented an accelerated Λ-iteration (ALI) scheme for co-moving frame (CMF) line radiation transfer based on a new estimate of the local approximate Λ-operator. Results: We show that the new version of the code performs substantially faster than the previous one and yields a reliable calculation of the entire solar spectrum. This calculation is in a good agreement with the available observations.

  19. Synthesis, spectral characterization of Schiff base transition metal ...

    Indian Academy of Sciences (India)

    The UV-Vis, magnetic susceptibility and ESR spectral data of the complexes suggest a square-planar geometry around the central metal ion except VO(IV) complex which has square-pyramidal geometry. The redox behaviour of copper and vanadyl complexes was studied by cyclic voltammetry. Antimicrobial screening tests ...

  20. solvent-free synthesis of azomethines, spectral correlations

    African Journals Online (AJOL)

    B. S. Chandravanshi

    especially in the medicinal and pharmaceutical fields. Now-a-days the development and synthesis of novel Schiff's base derivatives as potential chemotherapeutics still attract the attention of organic and medicinal chemists [2, 3]. Many studies reported the biological activities of Schiff's bases, including their anticancer, ...

  1. Synthesis, spectral characterization and structural studies of a novel O, N, O donor semicarbazone and its binuclear copper complex with hydrogen bond stabilized lattice

    Science.gov (United States)

    Layana, S. R.; Saritha, S. R.; Anitha, L.; Sithambaresan, M.; Sudarsanakumar, M. R.; Suma, S.

    2018-04-01

    A novel O,N,O donor salicylaldehyde-N4-phenylsemicarbazone, (H2L) has been synthesized and physicochemically characterized. Detailed structural studies of H2L using single crystal X-ray diffraction technique reveals the existence of intra and inter molecular hydrogen bonding interactions, which provide extra stability to the molecule. We have successfully synthesized a binuclear copper(II) complex, [Cu2(HL)2(NO3)(H2O)2]NO3 with phenoxy bridging between the two copper centers. The complex was characterized by elemental analysis, magnetic susceptibility and conductivity measurements, FT-IR, UV-Visible, mass and EPR spectral methods. The grown crystals of the copper complex were employed for the single crystal X-ray diffraction studies. The complex possesses geometrically different metal centers, in which the ligand coordinates through ketoamide oxygen, azomethine nitrogen and deprotonated phenoxy oxygen. The extensive intermolecular hydrogen bonding interactions of the coordinated and the lattice nitrate groups interconnect the complex units to form a 2D supramolecular assembly. The ESI mass spectrum substantiates the existence of 1:1 complex. The g values obtained from the EPR spectrum in frozen DMF suggest dx2 -y2 ground state for the unpaired electron.

  2. Synthesis, spectral analysis and pharmacological study of N'- substituted-2-(5-((2,4-dimethylphenoxymethyl-1,3,4-oxadiazol-2-ylthioacetohydrazides

    Directory of Open Access Journals (Sweden)

    Shahid Rasool

    Full Text Available ABSTRACT A series of molecules bearing multiple functional groups were synthesized to study their antibiotic effect against Gram-positive and Gram-negative bacteria and lipoxygenase activity as well. 2,4-Dimethylcarbolic acid (1 was refluxed with ethyl 2-bromoacetate to synthesize ethyl 2-(2,4-dimethylphenoxyacetate (2. Compound 2 was converted to the corresponding hydrazide 3, again on refluxing with hydrazine. The compound 5-((2,4-dimethylphenoxymethyl-1,3,4-oxadiazol-2-thiol (4 was synthesized by the reaction of 3 and CS2 in the presence of KOH. Compound 4 was further converted to the corresponding ester 5 and then 2-(5-((2,4-dimethylphenoxymethyl-1,3,4-oxadiazol-2-ylthioacetohydrazide (6. The final molecules N'-substituted-2-(5-((2,4-dimethylphenoxymethyl-1,3,4-oxadiazol-2-ylthioacetohydrazide, 8a-m, bearing ether, 1,3,4-oxadiazole, thioether, hydrazone and azomethine functional groups were synthesized by stirring the aryl carboxaldehydes 7a-m with 6 in methanol at room temperature. The depicted structures of all synthesized molecules were corroborated by IR, 1H-NMR and EIMS spectral data analysis. 8m and 8i showed substantial antibacterial activity and lipoxygenase inhibitory activity, respectively.

  3. Synthesis, spectral behaviour and photophysics of donor-acceptor kind of chalcones: Excited state intramolecular charge transfer and fluorescence quenching studies

    Science.gov (United States)

    Pannipara, Mehboobali; Asiri, Abdullah M.; Alamry, Khalid A.; Arshad, Muhammad N.; El-Daly, Samy A.

    2015-02-01

    The spectral and photophysical properties of two chalcones containing electron donating and accepting groups with intramolecular charge transfer characteristics were synthesized and characterized by 1H NMR, 13C NMR and X-ray crystallography. Both compounds show very strong solvent polarity dependent changes in their photophysical characteristics, namely, remarkable red shift in the emission spectra with increasing solvent polarity, large change in Stokes shift, significant reduction in the fluorescence quantum yield; indicating that the fluorescence states of these compounds are of intramolecular charge transfer (ICT) character. The solvent effect on the photophysical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment, fluorescence spectra, and fluorescence quantum yield of both compounds have been investigated comprehensively. For both dyes, Lippert-Mataga and Reichardt's correlations were used to estimate the difference between the excited and ground state dipole moments (Δμ). The interactions of dyes with colloidal silver nanoparticles (Ag NPs) were also studied in ethanol using steady state fluorescence quenching measurements. The fluorescence quenching data reveal that dynamic quenching and energy transfer play a major role in the fluorescence quenching of dyes by Ag NPs.

  4. VLTI-AMBER velocity-resolved aperture-synthesis imaging of η Carinae with a spectral resolution of 12 000. Studies of the primary star wind and innermost wind-wind collision zone

    Science.gov (United States)

    Weigelt, G.; Hofmann, K.-H.; Schertl, D.; Clementel, N.; Corcoran, M. F.; Damineli, A.; de Wit, W.-J.; Grellmann, R.; Groh, J.; Guieu, S.; Gull, T.; Heininger, M.; Hillier, D. J.; Hummel, C. A.; Kraus, S.; Madura, T.; Mehner, A.; Mérand, A.; Millour, F.; Moffat, A. F. J.; Ohnaka, K.; Patru, F.; Petrov, R. G.; Rengaswamy, S.; Richardson, N. D.; Rivinius, T.; Schöller, M.; Teodoro, M.; Wittkowski, M.

    2016-10-01

    Context. The mass loss from massive stars is not understood well. η Carinae is a unique object for studying the massive stellar wind during the luminous blue variable phase. It is also an eccentric binary with a period of 5.54 yr. The nature of both stars is uncertain, although we know from X-ray studies that there is a wind-wind collision whose properties change with orbital phase. Aims: We want to investigate the structure and kinematics of η Car's primary star wind and wind-wind collision zone with a high spatial resolution of ~6 mas (~14 au) and high spectral resolution of R = 12 000. Methods: Observations of η Car were carried out with the ESO Very Large Telescope Interferometer (VLTI) and the AMBER instrument between approximately five and seven months before the August 2014 periastron passage. Velocity-resolved aperture-synthesis images were reconstructed from the spectrally dispersed interferograms. Interferometric studies can provide information on the binary orbit, the primary wind, and the wind collision. Results: We present velocity-resolved aperture-synthesis images reconstructed in more than 100 different spectral channels distributed across the Brγ 2.166 μm emission line. The intensity distribution of the images strongly depends on wavelength. At wavelengths corresponding to radial velocities of approximately -140 to - 376 km s-1 measured relative to line center, the intensity distribution has a fan-shaped structure. At the velocity of - 277 km s-1, the position angle of the symmetry axis of the fan is ~126°. The fan-shaped structure extends approximately 8.0 mas (~18.8 au) to the southeast and 5.8 mas (~13.6 au) to the northwest, measured along the symmetry axis at the 16% intensity contour. The shape of the intensity distributions suggests that the obtained images are the first direct images of the innermost wind-wind collision zone. Therefore, the observations provide velocity-dependent image structures that can be used to test three

  5. VLTI-AMBER Velocity-Resolved Aperture-Synthesis Imaging of Eta Carinae with a Spectral Resolution of 12 000: Studies of the Primary Star Wind and Innermost Wind-Wind Collision Zone

    Science.gov (United States)

    Weigelt, G.; Hofmann, K.-H.; Schertl, D.; Clementel, N.; Corcoran, M. F.; Damineli, A.; de Wit, W.-J.; Grellmann, R.; Groh, J.; Guieu, S.; hide

    2016-01-01

    The mass loss from massive stars is not understood well. Eta Carinae is a unique object for studying the massive stellar wind during the luminous blue variable phase. It is also an eccentric binary with a period of 5.54 yr. The nature of both stars is uncertain, although we know from X-ray studies that there is a wind-wind collision whose properties change with orbital phase. Aims. We want to investigate the structure and kinematics of Car's primary star wind and wind-wind collision zone with a high spatial resolution of approx.6 mas (approx.14 au) and high spectral resolution of R = 12 000. Methods. Observations of Car were carried out with the ESO Very Large Telescope Interferometer (VLTI) and the AMBER instrument between approximately five and seven months before the August 2014 periastron passage. Velocity-resolved aperture-synthesis images were reconstructed from the spectrally dispersed interferograms. Interferometric studies can provide information on the binary orbit, the primary wind, and the wind collision. Results. We present velocity-resolved aperture-synthesis images reconstructed in more than 100 di erent spectral channels distributed across the Br(gamma) 2.166 micron emission line. The intensity distribution of the images strongly depends on wavelength. At wavelengths corresponding to radial velocities of approximately -140 to -376 km/s measured relative to line center, the intensity distribution has a fan-shaped structure. At the velocity of -277 km/s, the position angle of the symmetry axis of the fan is 126. The fan-shaped structure extends approximately 8.0 mas (approx.18:8 au) to the southeast and 5.8 mas (approx.13:6 au) to the northwest, measured along the symmetry axis at the 16% intensity contour. The shape of the intensity distributions suggests that the obtained images are the first direct images of the innermost wind-wind collision zone. Therefore, the observations provide velocity-dependent image structures that can be used to test three

  6. Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole

    Science.gov (United States)

    Sarau Devi, A.; Aswathy, V. V.; Sheena Mary, Y.; Yohannan Panicker, C.; Armaković, Stevan; Armaković, Sanja J.; Ravindran, Reena; Van Alsenoy, C.

    2017-11-01

    The vibrational spectra and corresponding vibrational assignments of 2-(3-methoxy-4-hydroxyphenyl)benzothiazole is reported. Single crystal XRD data of the title compound is reported and the orientation of methoxy group is cis to nitrogen atom of the thiazole ring. The phenyl ring breathing modes of the title compound are assigned at 1042 and 731 cm-1 theoretically. The charge transfer within the molecule is studied using frontier molecular orbital analysis. The chemical reactivity descriptors are calculated theoretically. The NMR spectral data predicted theoretically are in good agreement with the experimental data. The strong negative region spread over the phenyl rings, nitrogen atom and oxygen atom of the hydroxyl group in the MEP plot is due to the immense conjugative and hyper conjugative resonance charge delocalization of π-electrons. Molecule sites prone to electrophilic attacks have been determined by analysis of ALIE surfaces, while Fukui functions provided further insight into the local reactivity properties of title molecule. Autoxidation properties have been investigated by calculation of bond dissociation energies (BDEs) of hydrogen abstraction, while BDEs of the rest of the single acyclic bonds were valuable for the further investigation of degradation properties. Calculation of radial distribution functions was performed in order to determine which atoms of the title molecule have pronounced interactions with water molecules. The title compound forms a stable complex with aryl hydrocarbon receptor and can be a lead compound for developing new anti-tumor drug. Antimicrobial properties of the title compound was screened against one bacterial culture Escherchia coli and four fungal cultures viz., Aspergillus niger, Pencillum chrysogenum, Saccharomyces cerevisiae and Rhyzopus stolonifer.

  7. Synthesis and spectral studies of organotin(IV) 4-amino-3-alkyl-1,2,4-triazole-5-thionates: In vitro antimicrobial activity

    Science.gov (United States)

    Nath, Mala; Sulaxna; Song, Xueqing; Eng, George; Kumar, Ashok

    2008-09-01

    Some di- and triorganotin(IV) triazolates of general formula, R (4- n) SnL n (where n = 2; R = Me, n-Bu and Ph; n = 1; R = Me, n-Pr, n-Bu and Ph and HL = 4-amino-3-methyl-1,2,4-triazole-5-thiol (HL- 1); and 4-amino-3-ethyl-1,2,4-triazole-5-thiol (HL- 2)) were synthesized by the reaction of R (4- n) SnCl n with sodium salt of HL- 1 and HL- 2. The bonding and coordination behavior in these derivatives have been discussed on the basis of IR and 119Sn Mössbauer spectroscopic studies in the solid state. Their coordination behavior in solution is discussed by multinuclear ( 1H, 13C and 119Sn) NMR spectral studies. The IR and 119Sn Mössbauer spectroscopic studies indicate that the ligands, HL- 1 and HL- 2 act as a monoanionic bidentate ligand, coordinating through Sexo- and Nring. The distorted skew trapezoidal-bipyramidal and distorted trigonal bipyramidal geometries have been proposed for R 2SnL 2 and R 3SnL, respectively, in the solid state. In vitro antimicrobial screening of some of the newly synthesized derivatives and of some di- and triorganotin(IV) derivatives of 3-amino-1,2,4-triazole-5-thiol (HL- 3) and 5-amino-3H-1,3,4-thiadiazole-2-thiol (HL- 4) along with two standard drugs such as fluconazole and ciprofloxacin have been carried out against the bacteria, viz. Staphylococcus aureus and Escherichia coli, and against some fungi, viz. Aspergillus fumigatus, Candida albicans, Candida albicans (ATCC 10231), Candida krusei (GO 3) and Candida glabrata (HO 5) by the filter paper disc method. The studied organotin(IV) compounds show mild antifungal activity as compared to that of fluconazole, however, they show almost insignificant activity against the studied Gram-positive ( Staphylococcus aureas) and Gram-negative ( Escherichia coli) bacteria as compared to that of standard drug, ciprofloxacin.

  8. Inferring the Growth of Massive Galaxies Using Bayesian Spectral Synthesis Modeling

    Science.gov (United States)

    Stillman, Coley Michael; Poremba, Megan R.; Moustakas, John

    2018-01-01

    The most massive galaxies in the universe are typically found at the centers of massive galaxy clusters. Studying these galaxies can provide valuable insight into the hierarchical growth of massive dark matter halos. One of the key challenges of measuring the stellar mass growth of massive galaxies is converting the measured light profiles into stellar mass. We use Prospector, a state-of-the-art Bayesian spectral synthesis modeling code, to infer the total stellar masses of a pilot sample of massive central galaxies selected from the Sloan Digital Sky Survey. We compare our stellar mass estimates to previous measurements, and present some of the quantitative diagnostics provided by Prospector.

  9. SOCl 2 catalyzed cyclization of chalcones: Synthesis and spectral ...

    African Journals Online (AJOL)

    Some aryl-aryl 1H pyrazoles have been synthesised by cyclization of aryl chalcones and hydrazine hydrate in the presence of SOCl2. The yields of the pyrazoles are more than 85%. These pyrazoles are characterized by their physical constants and spectral data. The infrared, NMR spectral group frequencies of these ...

  10. Microwave assisted synthesis, spectral, magnetic and bioevolution of few Mn (II)-amide complexes

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, Gaurav [Department of Chemistry, Govt. Engineering College, Bikaner (India); Verma, K. K.; Gudesaria, D. D.; Bhojak, N., E-mail: drbhojak@rediffmail.com [GCRC, Department of Chemistry, Govt Dungar College, Bikaner-334003, Rajasthan (India)

    2016-05-06

    The importance and versatility of amide group containing ligands have promoted the selection of this class of ligands and their complexes for the study. The present work describes the synthesis, spectral and biological investigations on the complexes of amides derived from heterocyclic amines with Mn (II) ions. Four ligands derived 2-aminopyridine and their complexes with Mn (II) have been synthesized. A method for the synthesis of complexes has been developed by the use of microwave irradiation which is in agreement to Green chemistry approach. The complexes have been characterized on the basis of elemental analysis, infrared, electronic, ESR spectra and magnetic susceptibility studies. The diffuse reflectance spectrum of the complexes show bands in the region 20,000 cm{sup −1} to 26,000 cm{sup −1} assignable to {sup 6}A{sub 1g} → {sup 4}T{sub 2g} and {sup 6}A{sub 1g} → {sup 4}E{sub 1g} transitions. These are also typical of tetrahedral environment around the manganese. The magnetic moment (5.80 BM) of the complex indicates high spin tetrahedral environment. The microwave method of synthesis of complexes have been found easier, convenient and ecofriendly. Antimicrobial activities of compounds were also carried out against bacteria and fungi. Further minimal inhibitory concentration (MIC) was also determined for each compound.

  11. Spectral Synthesis via Mean Field approach to Independent Component Analysis

    International Nuclear Information System (INIS)

    Hu, Ning; Su, Shan-Shan; Kong, Xu

    2016-01-01

    We apply a new statistical analysis technique, the Mean Field approach to Independent Component Analysis (MF-ICA) in a Bayseian framework, to galaxy spectral analysis. This algorithm can compress a stellar spectral library into a few Independent Components (ICs), and the galaxy spectrum can be reconstructed by these ICs. Compared to other algorithms which decompose a galaxy spectrum into a combination of several simple stellar populations, the MF-ICA approach offers a large improvement in efficiency. To check the reliability of this spectral analysis method, three different methods are used: (1) parameter recovery for simulated galaxies, (2) comparison with parameters estimated by other methods, and (3) consistency test of parameters derived with galaxies from the Sloan Digital Sky Survey. We find that our MF-ICA method can not only fit the observed galaxy spectra efficiently, but can also accurately recover the physical parameters of galaxies. We also apply our spectral analysis method to the DEEP2 spectroscopic data, and find it can provide excellent fitting results for low signal-to-noise spectra. (paper)

  12. Synthesis, IR and NMR spectral correlations in some symmetrical ...

    African Journals Online (AJOL)

    A series of diimines have been synthesized by coupling of diamine with substituted benzaldehydes. The purities of these diimines were checked by their analytical and spectroscopic data. The spectral frequencies νCN (cm-1), NMR chemical shifts (δ, ppm) of C-H and C=N of these diimines have been correlated with ...

  13. Synthesis and chromato-mass spectral investigation of labeled analogs of the antitumor preparation fotrin

    International Nuclear Information System (INIS)

    Bornovalova, G.V.; Linberg, L.F.; Tikhonova, E.G.; Safonova, T.S.

    1986-01-01

    The authors develop methods of synthesis of fotrin analogs labeled in the ethylenimine groups with radioactive carbon 14 C and with deuterium and also a chromato-mass spectral investigation of the obtained compounds with the purpose of a subsequent deepened study of the pharmacokinetics and metabolism of fotrin. 14 C-ethylenimine was obtained starting from 1,2- 14 C-dibromoethane. The mass spectra of the final product, 2 H-fotrin, is shown. The intensities of the peaks of ions observed the mass spectra of fotrin and its deutero analog are presented as are the calculated ratios of isotopic peaks obtained on elimination of one and two ethylenimine groups from the molecular ion of deuterofotrin

  14. Synthesis, spectral, thermal and biological studies of mixed ligand complexes with newly prepared Schiff base and 1,10-phenanthroline ligands

    Science.gov (United States)

    Abd El-Halim, Hanan F.; Mohamed, Gehad G.; Khalil, Eman A. M.

    2017-10-01

    A series of mixed ligand complexes were prepared from the Schiff base (L1) as a primary ligand, prepared by condensation of oxamide and furan-2-carbaldehyde, and 1,10-phenanthroline (1,10-phen) as a secondary ligand. The Schiff base ligand and its mixed ligand chelates were characterized based on elemental analysis, IR, 1H NMR, thermal analysis, UV-Visible, mass, molar conductance, magnetic moment. X-ray diffraction, solid reflectance and ESR also have been studied. The mixed ligand complexes were found to have the formulae of [M(L1) (1,10-phen)]Clm.nH2O (M = Cr(III) and Fe(III) (m = 3) (n = 0); M = Mn(II), Cu(II) and Cd(II) (m = 2) (n = 0); and M = Co(II) (m = 2) (n = 1), Ni(II) (m = 2) (n = 2) and Zn(II) (m = 2) (n = 3)) and that the geometrical structure of the complexes were octahedral. The parameters of thermodynamic using Coats-Redfern and Horowitz-Metzger equations were calculated. The synthesized Schiff base ligand, 1,10-phenanthroline ligand and Their mixed ligand complexes were also investigated for their antibacterial and antifungal activity against bacterial species (Gram-Ve bacteria: Pseudomonas aeruginosa and Escherichia coli) and (Gram + Ve bacteria: Bacillus subtilis and Streptococcus pneumonia) and fungi (Aspergillus fumigates and Candida albicans). The anticancer activity of the new compounds had been tested against breast (MFC7) and colon (HCT-116) cell lines. The results showed high activity for the synthesized compounds.

  15. Synthesis, spectral, thermal and magnetic studies of Mn(II), Ni(II) and Cu(II) complexes with some benzopyran-4-one Schiff bases

    Science.gov (United States)

    El-Ansary, Aida L.; Abdel-Fattah, Hussein M.; Abdel-Kader, Nora S.

    2011-08-01

    The Schiff bases of N 2O 2 dibasic ligands, H 2La and H 2Lb are prepared by the condensation of ethylenediamine (a) and trimethylenediamine (b) with 6-formyl-7-hydroxy-5-methoxy-2-methylbenzopyran-4-one. Also tetra basic ligands, H 4La and H 4Lb are prepared by the condensation of aliphatic amines (a) and (b) with 6-formyl-5,7-dihydroxy-2-methylbenzopyran-4-one. New complexes of H 4La and H 4Lb with metal ions Mn(II), Ni(II) and Cu(II) are synthesized, in addition Mn(II) complexes with ligands H 2La and H 2Lb are also synthesized. Elemental and thermal analyses, infrared, ultraviolet-visible as well as conductivity and magnetic susceptibility measurements are used to elucidate the structure of the newly prepared metal complexes. The structures of copper(II) complexes are also assigned based upon ESR spectra study. All the complexes separated with the stoichiometric ratio (1:1) (M:L) except Mn-H 4La and Mn-H 4Lb with (2:1) (M:L) molar ratio. In metal chelates of the type 1:1 (M:L), the Schiff bases behave as a dinegative N 2O 2 tetradentate ligands. Moreover in 2:1 (M:L) complexes, the Schiff base molecules act as mono negative bidentate ligand and binuclear complex is then formed. The Schiff bases were assayed by the disc diffusion method for antibacterial activity against Staphylococcus aureus and Escherichia coli. The antifungal activity of the Schiff bases was also evaluated against the fungi Aspergillus flavus and Candida albicans.

  16. Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent

    Science.gov (United States)

    Murthy, P. Krishna; Sheena Mary, Y.; Shyma Mary, Y.; Panicker, C. Yohannan; Suneetha, V.; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Suchetan, P. A.

    2017-04-01

    4-benzyl-5-oxomorpholine-3-carbamide has been synthesized; single crystals were grown by slow evaporation solution growth technique at room temperature and characterized by single crystal X-ray diffraction, FT-IR, FT-Raman and 1H-NMR. The compound crystallizes in the monoclinic space group P21/n. The molecular geometry of the compound was optimized by using Density Functional Theory (DFT/B3LYP) method with 6-311++G(d,p) basis set in the ground state and geometric parameters are in agreement with the X-ray analysis results of the structure. The experimental vibrational spectra were compared with the calculated spectra and each vibrational wave number was assigned on the basis of potential energy distribution (PED). The electronic and charge transfer properties have been explained on the basis of highest occupied molecular orbital's (HOMOs) and lowest unoccupied molecular orbital's (LUMOs). Besides molecular electrostatic potential (MEP), frontier molecular orbital's (FMOs), some global reactivity descriptors, thermodynamic properties, non-linear optical (NLO) behavior and Mullikan charge analysis of the title compound were computed with the same method in gas phase, theoretically. Potential reactive sites of the title compound have been identified by average local ionization energy and Fukui functions, both mapped to the electron density surface. Bond dissociation energies for all single acyclic bonds have been calculated in order to investigate autoxidation and degradation properties of the title compound. Atoms with pronounced interactions with water molecules have been detected by calculations of radial distribution functions after molecular dynamics simulations. The experimental results are compared with the theoretical calculations using DFT methods for the fortification of the paper. Further the docking studies revealed that the title compound as a docked ligand forms a stable complex with pyrrole inhibitor with a binding affinity value of -7.5 kcal/mol. This

  17. Synthesis and spectral characterization of homo- and hetero ...

    Indian Academy of Sciences (India)

    Unknown

    In this work, we report the synthesis of dinuclear stable, magnetically. *For correspondence ... dropwise to a methanol solution (50 ml) of H4L (0⋅3 g, 0⋅55 mM) in presence of LiOH. (0⋅06 g, 2⋅5 mM), and refluxed ..... Because of the sparing solubility of H4L in common organic solvents, the solution electronic spectrum was ...

  18. Synthesis and inversion of Stokes spectral profiles. Thesis

    International Nuclear Information System (INIS)

    Murphy, G.A.

    1990-01-01

    Observations of Stokes spectral profiles enable the magnetic fields on the Sun's surface to be determined. Inversion is the process whereby the profiles are reduced to magnetic field vectors. One of the most robust, accurate and rapid methods available for inversion uses the least-squares fitting of analytical Stokes profiles. As this technique is suitable for the automated reduction of large sets of data, it has been adopted for use with the Advanced Stokes Polarimeter, presently under development. The limitations of inversion by analytical profile fitting have not been firmly established. Confident analysis of magnet field vectors depends upon the precise interpretation of reduced data. In this work, a framework is introduced which allows such an assessment to be made. The magnetofluid-static sunspot models presented here provide a self-consistent range of physical conditions similar to those in sunspots. Inversion can then be carried out on Stokes profiles synthesized from these known realistic conditions. The capabilities of an inversion technique can be evaluated by comparison between the models and the deduced values

  19. Atmospheric stellar parameters for large surveys using FASMA, a new spectral synthesis package

    Science.gov (United States)

    Tsantaki, M.; Andreasen, D. T.; Teixeira, G. D. C.; Sousa, S. G.; Santos, N. C.; Delgado-Mena, E.; Bruzual, G.

    2018-02-01

    In the era of vast spectroscopic surveys focusing on Galactic stellar populations, astronomers want to exploit the large quantity and good quality of data to derive their atmospheric parameters without losing precision from automatic procedures. In this work, we developed a new spectral package, FASMA, to estimate the stellar atmospheric parameters (namely effective temperature, surface gravity and metallicity) in a fast and robust way. This method is suitable for spectra of FGK-type stars in medium and high resolution. The spectroscopic analysis is based on the spectral synthesis technique using the radiative transfer code, MOOG. The line list is comprised of mainly iron lines in the optical spectrum. The atomic data are calibrated after the Sun and Arcturus. We use two comparison samples to test our method, (i) a sample of 451 FGK-type dwarfs from the high-resolution HARPS spectrograph; and (ii) the Gaia-ESO benchmark stars using both high and medium resolution spectra. We explore biases in our method from the analysis of synthetic spectra covering the parameter space of our interest. We show that our spectral package is able to provide reliable results for a wide range of stellar parameters, different rotational velocities, different instrumental resolutions and for different spectral regions of the VLT-GIRAFFE spectrographs, used amongst others for the Gaia-ESO survey. FASMA estimates stellar parameters in less than 15 m for high-resolution and 3 m for medium-resolution spectra. The complete package is publicly available to the community.

  20. Synthesis, spectral and thermal studies of some dioxouranium(VI) coordination compounds of 4[N -( 4- hydroxy -3- methoxybenzalidene ) amino] antipyrine semicarbazone and 4[N-(3,4,5- trimethoxybenzalidene) amino] antipyrine semicarbazone

    International Nuclear Information System (INIS)

    Singh, Lakshman; Singh, U.P.; Chakraborti, Indranil

    2001-01-01

    In view of high coordination compounds formed by actinide metal ions, the present work describes the 8, 9 and 10-coordinated compounds of dioxouranium(IV) with 4[N-(4-hydroxy-3-methoxy-benzalidene) amino] antipyrine semicarbazone (HMBAAPS) and 4[N-(3,4,5-trimethoxybenzalidene) amino] antipyrine semicarbazone (TMBAAPS) with the general composition UO 2 X 2 .L (X = Br - , I - , NCS - or ClO 4 ) and UO 2 X 2 .L (X = NO 3 - or CH 3 COO - , and L HMBAAPS or TMBAAPS). All these complexes were characterized through elemental, spectral and thermal studies. (author)

  1. Synthesis, evaluation and molecular modelling studies of some ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 122; Issue 2. Synthesis, evaluation and molecular modelling studies of some novel 3-(3 ... The compounds have been characterized on the basis of elemental analysis and spectral data. All the compounds were evaluated for their HIV-1 RT inhibitory activity. Among ...

  2. Synthesis, Characterization, and Saccharide Binding Studies of Bile Acid − Porphyrin Conjugates

    Directory of Open Access Journals (Sweden)

    Vladimír Král

    2007-01-01

    Full Text Available Synthesis and characterization of bile acid-porphyrin conjugates (BAPs are reported. Binding of saccharides with BAPs in aqueous methanol was studied by monitoring changes in the visible absorption spectral of the porphyrin-moieties. Although these studies clearly showed absorbance changes, suggesting quite high if non-selective binding, the mass spectral studies do not unambiguously support these results.

  3. Spectral Analysis, Synthesis, & Energy Distributions of Nearby E+A Galaxies Using SDSS-IV MaNGA

    Science.gov (United States)

    Weaver, Olivia A.; Anderson, Miguel Ricardo; Wally, Muhammad; James, Olivia; Falcone, Julia; Liu, Allen; Wallack, Nicole; Liu, Charles; SDSS Collaboration

    2017-01-01

    Utilizing data from the Mapping Nearby Galaxies at APO (MaNGA) Survey (MaNGA Product Launch-4, or MPL-4), of the latest generation of the Sloan Digital Sky Survey (SDSS-IV), we identified nine post-starburst (E+A) systems that lie within the Green Valley transition zone. We identify the E+A galaxies by their SDSS single fiber spectrum and u-r color, then confirmed their classification as post-starburst by coding/plotting methods and spectral synthesis codes (FIREFLY and PIPE3D), as well as with their Spectral Energy Distributions (SEDs) from 0.15 µm to 22 µm, using GALEX, SDSS, 2MASS, and WISE data. We produced maps of gaussian-fitted fluxes, equivalent widths, stellar velocities, metallicities and age. We also produced spectral line ratio diagrams to classify regions of stellar populations of the galaxies. We found that our sample of E+As retain their post-starburst properties across the entire galaxy, not just at their center. We detected matching a trend line in the ultraviolet and optical bands, consistent with the expected SEDs for an E+A galaxy, and also through the J, H and Ks bands, except for one object. We classified one of the nine galaxies as a luminous infrared galaxy, unusual for a post-starburst object. Our group seeks to further study stellar population properties, spectral energy distributions and quenching properties in E+A galaxies, and investigate their role in galaxy evolution as a whole. This work was supported by the Alfred P. Sloan Foundation via the SDSS-IV Faculty and Student Team (FAST) initiative, ARC Agreement #SSP483 to the CUNY College of Staten Island. This work was also supported by grants to The American Museum of Natural History, and the CUNY College of Staten Island through from National Science Foundation.

  4. Fitting Analysis using Differential evolution Optimization (FADO):. Spectral population synthesis through genetic optimization under self-consistency boundary conditions

    Science.gov (United States)

    Gomes, J. M.; Papaderos, P.

    2017-07-01

    The goal of population spectral synthesis (pss; also referred to as inverse, semi-empirical evolutionary- or fossil record approach) is to decipher from the spectrum of a galaxy the mass, age and metallicity of its constituent stellar populations. This technique, which is the reverse of but complementary to evolutionary synthesis, has been established as fundamental tool in extragalactic research. It has been extensively applied to large spectroscopic data sets, notably the SDSS, leading to important insights into the galaxy assembly history. However, despite significant improvements over the past decade, all current pss codes suffer from two major deficiencies that inhibit us from gaining sharp insights into the star-formation history (SFH) of galaxies and potentially introduce substantial biases in studies of their physical properties (e.g., stellar mass, mass-weighted stellar age and specific star formation rate). These are I) the neglect of nebular emission in spectral fits, consequently; II) the lack of a mechanism that ensures consistency between the best-fitting SFH and the observed nebular emission characteristics of a star-forming (SF) galaxy (e.g., hydrogen Balmer-line luminosities and equivalent widths-EWs, shape of the continuum in the region around the Balmer and Paschen jump). In this article, we present fado (Fitting Analysis using Differential evolution Optimization) - a conceptually novel, publicly available pss tool with the distinctive capability of permitting identification of the SFH that reproduces the observed nebular characteristics of a SF galaxy. This so-far unique self-consistency concept allows us to significantly alleviate degeneracies in current spectral synthesis, thereby opening a new avenue to the exploration of the assembly history of galaxies. The innovative character of fado is further augmented by its mathematical foundation: fado is the first pss code employing genetic differential evolution optimization. This, in conjunction

  5. [Study on the arc spectral information for welding quality diagnosis].

    Science.gov (United States)

    Li, Zhi-Yong; Gu, Xiao-Yan; Li, Huan; Yang, Li-Jun

    2009-03-01

    Through collecting the spectral signals of TIG and MIG welding arc with spectrometer, the arc light radiations were analyzed based on the basic theory of plasma physics. The radiation of welding arc distributes over a broad range of frequency, from infrared to ultraviolet. The arc spectrum is composed of line spectra and continuous spectra. Due to the variation of metal density in the welding arc, there is great difference between the welding arc spectra of TIG and MIG in both their intensity and distribution. The MIG welding arc provides more line spectra of metal and the intensity of radiation is greater than TIG. The arc spectrum of TIG welding is stable during the welding process, disturbance factors that cause the spectral variations can be reflected by the spectral line related to the corresponding element entering the welding arc. The arc spectrum of MIG welding will fluctuate severely due to droplet transfer, which produces "noise" in the line spectrum aggregation zone. So for MIG welding, the spectral zone lacking spectral line is suitable for welding quality diagnosis. According to the characteristic of TIG and MIG, special spectral zones were selected for welding quality diagnosis. For TIG welding, the selected zone is in ultraviolet zone (230-300 nm). For MIG welding, the selected zone is in visible zone (570-590 nm). With the basic theory provided for welding quality diagnosis, the integral intensity of spectral signal in the selected zone of welding process with disturbing factor was studied to prove the theory. The results show that the welding quality and disturbance factors can be diagnosed with good signal to noise ratio in the selected spectral zone compared with signal in other spectral zone. The spectral signal can be used for real-time diagnosis of the welding quality.

  6. Facile synthesis, spectral properties and formation mechanism of sulfur nanorods in PEG-200

    International Nuclear Information System (INIS)

    Xie, Xin-yuan; Li, Li-yun; Zheng, Pu-sheng; Zheng, Wen-jie; Bai, Yan; Cheng, Tian-feng; Liu, Jie

    2012-01-01

    Graphical abstract: Homogeneous rod-like structure of sulfur with a typical diameter of about 80 nm and an average aspect ratio of about 6–8 was obtained. The sulfur nanoparticles could self-assemble from spherical particles to nanorods in PEG-200. During the self-assembling process, the absorption band showed a red shift which was due to the production of nanorods. Highlights: ► A novel, facile and greener method to synthesize sulfur nanorods by the solubilizing and templating effect of PEG-200 was reported. ► S 0 nanoparticles could self assemble in PEG-200 and finally form monodisperse and homogeneous rod-like structure with an average diameter of about 80 nm, the length ca. 600 nm. ► The absorption band showed a red shift and the RRS intensity enhanced continuously during the self-assembling process. ► PEG-200 induced the oriented attachment of sulfur nanoparticles by the terminal hydroxyl groups. -- Abstract: The synthesis of nano-sulfur sol by dissolving sublimed sulfur in a green solvent-PEG-200 was studied. Homogeneous rod-like structure of sulfur with a typical diameter of about 80 nm and an average aspect ratio of 6–8 was obtained. The structure, morphology, size, and stability of the products were investigated by transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and dynamic light scattering (DLS) measurements. The spectral properties of the products were investigated by ultraviolet-visible (UV–vis) absorption and resonance Rayleigh scattering spectroscopy (RRS). The results showed that the spherical sulfur nanoparticles could self-assemble into nanorods in PEG-200. During the self-assembling process, the absorption band showed a red shift and the RRS intensity enhanced continuously. There was physical cross-linking between PEG and sulfur nanoparticles. PEG-200 induced the oriented attachment of sulfur nanoparticles by the

  7. Nightside studies of coherent HF Radar spectral width behaviour

    Directory of Open Access Journals (Sweden)

    E. E. Woodfield

    2002-09-01

    Full Text Available A previous case study found a relationship between high spectral width measured by the CUTLASS Finland HF radar and elevated electron temperatures observed by the EISCAT and ESR incoherent scatter radars in the post-midnight sector of magnetic local time. This paper expands that work by briefly re-examining that interval and looking in depth at two further case studies. In all three cases a region of high HF spectral width (>200 ms-1 exists poleward of a region of low HF spectral width (<200 ms-1. Each case, however, occurs under quite different geomagnetic conditions. The original case study occurred during an interval with no observed electrojet activity, the second study during a transition from quiet to active conditions with a clear band of ion frictional heating indicating the location of the flow reversal boundary, and the third during an isolated sub-storm. These case studies indicate that the relationship between elevated electron temperature and high HF radar spectral width appears on closed field lines after 03:00 magnetic local time (MLT on the nightside. It is not clear whether the same relationship would hold on open field lines, since our analysis of this relationship is restricted in latitude. We find two important properties of high spectral width data on the nightside. Firstly the high spectral width values occur on both open and closed field lines, and secondly that the power spectra which exhibit high widths are both single-peak and multiple-peak. In general the regions of high spectral width (>200 ms-1 have more multiple-peak spectra than the regions of low spectral widths whilst still maintaining a majority of single-peak spectra. We also find that the region of ion frictional heating is collocated with many multiple-peak HF spectra. Several mechanisms for the generation of high spectral width have been proposed which would produce multiple-peak spectra, these are discussed in relation to the data presented here. Since the

  8. Nightside studies of coherent HF Radar spectral width behaviour

    Directory of Open Access Journals (Sweden)

    E. E. Woodfield

    Full Text Available A previous case study found a relationship between high spectral width measured by the CUTLASS Finland HF radar and elevated electron temperatures observed by the EISCAT and ESR incoherent scatter radars in the post-midnight sector of magnetic local time. This paper expands that work by briefly re-examining that interval and looking in depth at two further case studies. In all three cases a region of high HF spectral width (>200 ms-1 exists poleward of a region of low HF spectral width (<200 ms-1. Each case, however, occurs under quite different geomagnetic conditions. The original case study occurred during an interval with no observed electrojet activity, the second study during a transition from quiet to active conditions with a clear band of ion frictional heating indicating the location of the flow reversal boundary, and the third during an isolated sub-storm. These case studies indicate that the relationship between elevated electron temperature and high HF radar spectral width appears on closed field lines after 03:00 magnetic local time (MLT on the nightside. It is not clear whether the same relationship would hold on open field lines, since our analysis of this relationship is restricted in latitude. We find two important properties of high spectral width data on the nightside. Firstly the high spectral width values occur on both open and closed field lines, and secondly that the power spectra which exhibit high widths are both single-peak and multiple-peak. In general the regions of high spectral width (>200 ms-1 have more multiple-peak spectra than the regions of low spectral widths whilst still maintaining a majority of single-peak spectra. We also find that the region of ion frictional heating is collocated with many multiple-peak HF spectra. Several mechanisms for the generation of high spectral width have been proposed which would produce multiple-peak spectra, these are discussed in relation to

  9. 80GHz waveform generator by optical Fourier synthesis of four spectral sidebands (Conference Presentation)

    Science.gov (United States)

    Fatome, Julien; Hammani, Kamal; Kibler, Bertrand; Finot, Christophe

    2016-04-01

    Versatile and easy to implement methods to generate arbitrary optical waveforms at high repetition rates are of considerable interest with applications in optical communications, all-optical signal processing, instrumentation systems and microwave signal manipulation. While shaping sinusoidal, Gaussian or hyperbolic secant intensity profiles is commonly achieved by means of modulators or mode-locked lasers, other pulse profiles such as parabolic, triangular or flat-top shapes still remain challenging to synthesize. In this context, several strategies were already explored. First, the linear pulse shaping is a common method to carve an initial ultrashort pulse train into the desired shape. The line-by-line shaping of a coherent frequency comb made of tens of spectral components was also investigated to generate more complex structures whereas Fourier synthesis of a few discrete frequencies spectrum was exploited to efficiently generate high-fidelity ultrafast periodic intensity profiles. Besides linear shaping techniques, several nonlinear methods were implemented to benefit from the adiabatic evolution of the intensity pulse profile upon propagation in optical fibers. Other examples of efficient methods are based on the photonic generation involving specific Mach-Zehnder modulators, microwave photonic filters as well as frequency-to-time conversion. In this contribution, we theoretically and experimentally demonstrate a new approach enabling the synthesis of periodic high-repetition rate pulses with various intensity profiles ranging from parabola to triangular and flat-top pulses. More precisely by linear phase and amplitude shaping of only four spectral lines is it possible to reach the targeted temporal profile. Indeed, tailoring the input symmetric spectrum only requires the determination of two physical parameters: the phase difference between the inner and outer spectral sidebands and the ratio between the amplitude of these sidebands. Therefore, a systematic

  10. Arene ruthenium(II) azido complexes incorporating N intersection O chelate ligands: Synthesis, spectral studies and 1,3-dipolar-cycloaddition to a coordinated azide in ruthenium(II) compounds

    Digital Repository Service at National Institute of Oceanography (India)

    Singh, K.S.; Kaminsky, W.

    Synthesis of (η6-arene) ruthenium (II) complexes has attracted considerable attention owing to their anti-cancer [1-3], antiviral [4] and catalytic properties [5-7]. The catalytic activities of these complexes range from hydrogen transfer to ring closing...

  11. An OFF–ON–OFF type of pH fluorescent sensor: Benzo[c,d]indole-based dimethine cyanine dye-synthesis, spectral properties and density functional theory studies

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qi [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi’an 710069 (China); Hong Su, Xiao [College of Life Sciences, Northwest University, Xi’an 710069 (China); Ying Wang, Lan, E-mail: wanglany@nwu.edu.cn [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi’an 710069 (China); Sun, Wei; Bo Lei, Yi [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi’an 710069 (China); Yi Wen, Zhen [Institute of Modern Physics, Northwest University, Xi’an 710069 (China)

    2014-10-15

    We synthesized a novel OFF–ON–OFF type of pH-dependent fluorescent sensor: benzo[c,d]indole-based dimethine cyanine dye D1, with donor-π-acceptor (D-π-A) structure based on intramolecular charge transfer system (ICT), which employed dimethine cyanine dye as a fluorophore and pentavalent nitrogen NH{sup +} group as a pH modulator, respectively. The product was identified by {sup 1}H NMR, {sup 13}C NMR, IR, UV–vis and HRMS. The investigation of spectral properties found that dye D1 showed excellent spectroscopic properties and its absorption maxima and fluorescence quantum yield were basically larger in protic solvent than in aprotic solvent. Meanwhile, the absorption spectra of D1 were revealed to hypochromatic-shift and the absorption intensity was gradually decreased along with the increase of pH value. Interestingly, dye D1 showed remarkable fluorescence when pH value was in the range of 6.00–9.80 with the peak at 8.21, which was defined as an OFF–ON–OFF type of pH-dependent fluorescent sensors based on ICT. In addition, dye D1 exhibited a high selectivity for H{sup +} over other common ions, such as Cl{sup −}, K{sup +}, Fe{sup 2+} etc. Theoretical calculations based on density functional theory (DFT) were employed to provide a better understanding of this particular dye sensor. These results indicated that D1 would be able to act as an efficient pH-sensor and had a potential to play an important role in biological and medical study. - Highlights: • A new benzo[c,d]indole-based pH fluorescent sensor was synthesized without adding catalyst. • The absorption spectra of dye D1 were associated with the solvents’ pK{sub a} value. • The sensor showed OFF–ON–OFF fluorescence in pH buffer, with the peak at 8.21. • The sensor had high sensitivity and selectivity.

  12. [Study on spectral reflectance characteristics of hemp canopies].

    Science.gov (United States)

    Tian, Yi-Chen; Jia, Kun; Wu, Bing-Fang; Li, Qiang-Zi

    2010-12-01

    Hemp (Cannabis sativa L.) is a special economic crop and widely used in many field. It is significative for the government to master the information about planting acreage and spatial distribution of hemp for hemp industrial policy decision in China. Remote sensing offers a potential way of monitoring large area for the cultivation of hemp. However, very little study on the spectral properties of hemp is available in the scientific literature. In the present study, the spectral reflectance characteristics of hemp canopy were systematically analyzed based on the spectral data acquired with ASD FieldSpec portable spectrometer. The wavebands and its spectral resolution for discriminating hemp from other plants were identified using difference analysis. The major differences in canopy reflectance of hemp and other plants were observed near 530, 552, 734, 992, 1 213, 1 580 and 2 199 nm, and the maximal difference is near 734 nm. The spectral resolution should be 30 nm or less in visible and near infrared regions, and 50 nm or less in middle infrared regions.

  13. Synthesis, Characterization and Spectral Properties of Substituted Tetraphenylporphyrin Iron Chloride Complexes

    Directory of Open Access Journals (Sweden)

    Kai Li

    2011-04-01

    Full Text Available A series of substituted tetraphenylporphyrin iron chloride complexes [RTPPFe(IIICl, R=o/p-NO2, o/p-Cl, H, o/p-CH3, o/p-OCH3] were synthesized by a novel universal mixed-solvent method and the spectral properties of free base porphyrins and iron porphyrin compounds were compared with each other. The experimental results showed that the one-pot mixed solvent method was superior to the two-step method in the yields, reaction time and workup of reaction mixtures for the synthesis of iron porphyrin compounds. The highest yields (28.7%-40.4% of RTPPFe(IIICl were obtained in the mixed solvents propionic acid, glacial acetic acid and m-nitrotoluene under reflux for 2 h. A detailed analysis of ultraviolet-visible (UV-vis, infrared (IR and far-infrared (FIR spectra suggested the transformation from free base porphyrins to iron porphyrins. The red shift of the Soret band in ultraviolet-visible spectra due to the presence of p-nitrophenyl substituents and the blue shift of Fe-Cl bond of TPPFeCl in far-infrared spectra were further explained by the electron transfer and molecular planarity in the porphyrin ring.

  14. Spectral hole burning studies of photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Hai -Chou [Iowa State Univ., Ames, IA (United States)

    1995-09-26

    Low temperature absorption and hole burning spectroscopies were applied to the D1-D2-cyt b559 and the CP47 and CP43 antenna protein complexes of Photosystem H from higher plants. Low temperature transient and persistent hole-burning data and theoretical calculations on the kinetics and temperature dependence of the P680 hole profile are presented and provide convincing support for the linker model. Implicit in the linker model is that the 684-nm-absorbing Chl a serve to shuttle energy from the proximal antenna complex to reaction center. The stoichiometry of isolated Photosystem H Reaction Center (PSII RC) in several different preparations is also discussed. The additional Chl a are due to 684-nm-absorbing Chl a, some contamination by the CP47 complex, and non-native Chl a absorbing near 670 nm. In the CP47 protein complex, attention is focused on the lower energy chlorophyll a Qy-states. High pressure hole-burning studies of PSII RC revealed for the first time a strong pressure effect on the primary electron transfer dynamics. The 4.2 K lifetime of P680*, the primary donor state, increases from 2.0 ps to 7.0 ps as pressure increases from 0.1 to 267 MPa. Importantly, this effect is irreversible (plastic) while the pressure induced effect on the low temperature absorption and non-line narrowed P680 hole spectra are reversible (elastic). Nonadiabatic rate expressions, which take into account the distribution of energy gap values, are used to estimate the linear pressure shift of the acceptor state energy for both the superexchange and two-step mechanisms for primary charge separation. It was found that the pressure dependence could be explained with a linear pressure shift of ~1 cm-1/MPa in magnitude for the acceptor state. The results point to the marriage of hole burning and high pressures as having considerable potential for the study of primary transport dynamics in reaction centers and antenna complexes.

  15. Far-infrared spectral studies of magnesium and aluminum co ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 62; Issue 5. Far-infrared spectral studies of magnesium and aluminum co-substituted lithium ferrites. K B Modi J D Gajera M P Pandya H G Vora H H Joshi. Brief Reports Volume 62 Issue 5 May 2004 pp 1173-1180 ...

  16. Study of land surface temperature and spectral emissivity using multi ...

    Indian Academy of Sciences (India)

    LST) and spectral emissivities over a hard rock terrain using multi-sensor satellite data. The study area, of about 6000 km2, is a part of Singhbhum–Orissa craton situated in the eastern part of India. TIR data from ASTER, MODIS and Landsat ...

  17. On the Application of Hilbert Spectral Analysis for Climate Studies

    Science.gov (United States)

    Huang, Norden E.; Koblinsky, Chester J. (Technical Monitor)

    2001-01-01

    The Hilbert spectral analysis (Huang et al, 1998, Proceedings of the Royal Society of London, A 454, pp 903-995) consisted of two steps: First, the data has to be reduced into a finite number of Intrinsic Mode Function by the Empirical Mode Decomposition method, then the resulting Intrinsic Mode Functions are converted to time-frequency-energy distribution through Hilbert transform. In this approach, the Empirical Mode Functions served as the basis functions with which the data is expanded. This basis function is adaptive, and the decomposition is nonlinear. Furthermore, as the Hilbert transform is a singular transform, it retains a high degree of local information. The instantaneous frequency is determined by differentiation of the phase function; therefore, there is no restriction of the 'uncertainty principle' for all the time-frequency analysis resulting from a priori basis approach. With the adaptive basis and the instantaneous frequency, the Hilbert Spectral analysis can represent data from nonlinear and nonstationary processes without resorting to the harmonics. Another advantage of using instantaneous frequency is the ability to find out frequency from limited length of data, which is a critical problem in climate studies. As the processes driving the climate changes could be both nonlinear and nonstationary, the Hilbert Spectral Analysis could be of great use in examining the underlying mechanisms. A preliminary study based on the length of day data will be presented as example for the application of the Hilbert Spectral Analysis for climate study.

  18. Synthesis, crystal structures and spectral characterization of chiral 4-R-1,2,4-triazoles

    Science.gov (United States)

    Gural'skiy, Il'ya A.; Reshetnikov, Viktor A.; Omelchenko, Irina V.; Szebesczyk, Agnieszka; Gumienna-Kontecka, Elzbieta; Fritsky, Igor O.

    2017-01-01

    1,2,4-triazoles attract attention as actively used medications and ligands for constructing coordination architectures. In this paper we describe four optically active 4-substituted 1,2,4-triazoles that have been prepared by Bayer's synthesis from the corresponding aliphatic chiral amines. This approach tends to be universal towards different triazoles and permits to conserve a homochirality of substrates. Novel asymmetric molecules have been characterized by spectroscopic techniques and their structures have been retrieved from the single crystal X-ray analysis. Chiro-optical studies of these heterocycles have been made by means of circular dichroism spectroscopy.

  19. Integrated spectral study of small angular diameter galactic open clusters

    Science.gov (United States)

    Clariá, J. J.; Ahumada, A. V.; Bica, E.; Pavani, D. B.; Parisi, M. C.

    2017-10-01

    This paper presents flux-calibrated integrated spectra obtained at Complejo Astronómico El Leoncito (CASLEO, Argentina) for a sample of 9 Galactic open clusters of small angular diameter. The spectra cover the optical range (3800-6800 Å), with a resolution of ˜14 Å. With one exception (Ruprecht 158), the selected clusters are projected into the fourth Galactic quadrant (282o evaluate their membership status. The current cluster sample complements that of 46 open clusters previously studied by our group in an effort to gather a spectral library with several clusters per age bin. The cluster spectral library that we have been building is an important tool to tie studies of resolved and unresolved stellar content.

  20. Vibrational Spectral Studies of Pure and Doped TGSP Crystals

    OpenAIRE

    Kartheeswari, N.; Viswanathan, K.

    2013-01-01

    Triglycine sulfate crystals (TGS) are an important class of ferroelectric materials. TGS have attracted many researches because of thier room temperature ferroelectric nature. TGS found wide applications in electronic and optical fields. In present work, pure and ADP-, KDP- (0.2 mol) doped TGSP crystals are grown from solution growth method. Grown crystals are subjected to UV-Vis, IR, and Raman spectral studies. Crystal structure of grown crystals is obtained from powder XRD pattern. Ferroele...

  1. Facile synthesis of RuII Schiff base complexes: spectral characterization and antimicrobial applications

    International Nuclear Information System (INIS)

    Arunachalam, S.; Padma Priya, N.; Shahul Meeran, H.

    2014-01-01

    Diamagnetic ruthenium (II) complexes of the type (RuCl (CO) (pyridine) (L)) (where L = monobasic tridentate Schiff base ligands) were synthesized by the reactions of Schiff bases derived from the reactions of o-aminobenzoic acid and Knovenegal condensate of β - ketoesters and appropriate ruthenium metal precursor (RuHCl (CO) (PPh 3 ) 2 (py)). Elemental analyses and spectral (FT-IR, UV-Vi s and 1 H, 31 P NMR) studies of all the new synthesized complexes suggest the presence of an octahedral environment around the Ru II ion. Cyclic voltammograms of all the complexes display oxidation and reduction potentials. Superoxide dismutase activity (SOD) of these complexes has also been examined. These complexes were also subjected to study their biocidal activity against Staphylococcus epidermidis, Escherichia coli, Botrytis cinerea and Aspergillus niger. (author)

  2. STUDY OF CHARACTERISTICS OF SPECTRAL INTERFERENCE SIGNALS IN THE NEAR INFRARED SPECTRAL RANGE

    Directory of Open Access Journals (Sweden)

    I. P. Gurov

    2014-01-01

    Full Text Available Peculiarities of signals formation in spectral interferometry and optical coherence tomography are considered. Basic relations are given defining minimal depth coordinate value of an investigated object, where single period of spectral interference signal is acquired and a value of the wave length increment set according to the depth range, where spectral interference signals are registered. The estimate of resolving power of the spectral interfereometry and optical coherence tomography systems with tunable wave length is given taking into account a spectral range of wave length tuning. It is shown that the ratio of the wave length mean value and the range of the wave length tuning defines the resolving power in depth of an investigated object, while the maximum depth range, within which investigation of an object’s micro structure by the spectral optical coherence tomography is possible does not depend on the range of the wave length tuning being determined by the wave length (wave number tuning step. Numerical estimates of the parameters mentioned above are presented when using light sources in near infrared range, as well as relations and estimates of interference fringe visibility dependent on registered relative intensity of a measuring wave.

  3. Synthesis, crystal structure, spectral and thermal properties of 4-dimethylaminopyridinium salicylate monohydrate

    Science.gov (United States)

    Arunkumar, A.; Ramasamy, P.

    2013-06-01

    4-dimethylaminopyridinium salicylate monohydrate (DMAPSA) was synthesized and its crystal structure was determined using single crystal X-ray diffraction analysis. From the crystal structure analysis it can be inferred that the crystal belongs to monoclinic system with space group of P21/n. Investigation has been carried out to assign the vibrational frequencies of the grown crystals by FTIR spectral studies. 1H and 13C FT-NMR has been recorded to elucidate the molecular structure. The molecular mass of DMAPSA has been measured using mass spectroscopic analysis. The thermal stability and thermal decomposition of DMAPSA have been investigated by means of thermogravimetric analysis and differential thermal analysis. The melting point of crystal was observed as 172 °C by melting point apparatus. Fluorescence spectra were taken for the excitation wavelength of 240 nm.

  4. Opuntia ficus indica peel derived pectin mediated hydroxyapatite nanoparticles: Synthesis, spectral characterization, biological and antimicrobial activities

    Science.gov (United States)

    Gopi, D.; Kanimozhi, K.; Kavitha, L.

    2015-04-01

    In the present study, we have adapted a facile and efficient green route for the synthesis of HAP nanoparticles using pectin as a template which was extracted from the peel of prickly pear (Opuntia ficus indica) fruits. The concentration of pectin plays a major role in the behavior of crystallinity, purity, morphology as well as biological property of the as-synthesized HAP nanoparticles. The extracted pectin and the as-synthesized nanoparticles were characterized by various analytical techniques. The in vitro apatite formation on the surface of the as-synthesized nanoparticles in simulated body fluid (SBF) for various days showed an enhanced bioactivity. Also, the antimicrobial activity was investigated using various microorganisms. All the results revealed the formation of pure, low crystalline and discrete granular like HAP nanoparticles of size around 25 nm with enhanced biological and antimicrobial activities. Hence the as-synthesized nanoparticles can act as a better bone regenerating material in the field of biomedicine.

  5. Synthesis, Spectral Characterization and Antioxidant Activity of Tin(II-Morin Complex

    Directory of Open Access Journals (Sweden)

    Shahabuddin Memon

    2012-12-01

    Full Text Available The study focuses on the interaction between morin and Tin(II and the resulting complex was characterized through various analytical techniques by comparing it with morin. The complexation was confirmed at first by UV-Vis study, which shows that addition of Tin(II to morin may produce bathochromic shifts indicative of complex formation. IR spectral studies indicated that carbonyl has involved in coordination with Tin(II. Moreover, 1H-NMR studies validated that in conjunction with carbonyl, 3-OH of morin is more appropriate to be involved in complexation by replacement of its proton. Scavenging activities of morin and its Tin(II complex on DPPH• radical showed the inhibitory rates of 65% and 49%, respectively. In addition, the reducing capacity of morin was outstanding at 0.5 and 2.0 mg/ml concentrations relative to Tin(II complex. Overall, the study potentially shows the strong impact in order to design the anticancer drugs jointly from its cytotoxic potential and antioxidant activities, thereby selectively targeting the cancerous cells in result increasing their therapeutic index as well as extra advantages over other anticancer drugs.

  6. The bipyridine adducts of N-phenyldithiocarbamato complexes of Zn(II) and Cd(II); synthesis, spectral, thermal decomposition studies and use as precursors for ZnS and CdS nanoparticles.

    Science.gov (United States)

    Onwudiwe, Damian C; Strydom, Christien A

    2015-01-25

    Bipyridine adducts of N-phenyldithiocarbamato complexes, [ML(1)2L(2)] (M=Cd(II), Zn(II); L(1)=N-phenyldithiocarbamate, L(2)=2,2' bipyridine), have been synthesized and characterised. The decomposition of these complexes to metal sulphides has been investigated by thermogravimetric analysis (TGA). The complexes were used as single-source precursors to synthesize MS (M=Zn, Cd) nanoparticles (NPs) passivated by hexadecyl amine (HDA). The growth of the nanoparticles was carried out at two different temperatures: 180 and 220 °C, and the optical and structural properties of the nanoparticles were studied using UV-Vis spectroscopy, photoluminescence spectroscopy (PL), transmission emission microscopy (TEM) and powdered X-ray diffraction (p-XRD). Nanoparticles, whose average diameters are 2.90 and 3.54 nm for ZnS, and 8.96 and 9.76 nm for CdS grown at 180 and 220 °C respectively, were obtained. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Mono and binuclear Ag(I), Cu(II), Zn(II) and Hg(II) complexes of a new azo-azomethine as ligand: synthesis, potentiometric, spectral and thermal studies.

    Science.gov (United States)

    Ahmed, Ibrahim S; Moustafa, Moustafa M; Abd El Aziz, Mohamed M

    2011-05-01

    New azo-azomethine dyes were prepared by reaction of p-aminobenzoic acid, o-anisidine, o-nitroaniline, and p-bromoaniline with salicylaldehyde respectively to form azo compounds and then condensation by urea to form 4-(R-arylazo 2-salicylaldene)-urea azo-azomethine derivatives (I(a-d)). The complexes of these ligands with Ag(I), Cu(II), Zn(II) and Hg(II) metal ions were prepared. The structure of the free ligands and their complexes were characterized by using elemental analysis (C, H, N), (1)H NMR, IR and UV-Vis-spectra. The proton dissociation constants of the ligands and the stability constant of their complexes have been determined potentiometrically in 40% (v/v) alcohol-water medium as well as the stoichiometry of complexes were determined conductometrically. The data reveal that the stoichiometries for all complexes were prepared in molar ratios (1:1) and (1:2) (M:L). The electrolytic and nonelectrolytic natures of the complexes were assigned based on molar conductance measurements. The thermogravimetric (TG), and differential thermal analyses (DTA) were studied in nitrogen atmosphere with heating rate 10°C/min. The kinetic and thermodynamic parameters for thermal decomposition of complexes have been calculated by graphical method using Coats-Redfern (CR) method. Copyright © 2011 Elsevier B.V. All rights reserved.

  8. Novel banana peel pectin mediated green route for the synthesis of hydroxyapatite nanoparticles and their spectral characterization

    Science.gov (United States)

    Gopi, D.; Kanimozhi, K.; Bhuvaneshwari, N.; Indira, J.; Kavitha, L.

    2014-01-01

    Hydroxyapatite [HAP, Ca10(PO4)6(OH)2] is the main inorganic component of natural bone and is widely used in various biomedical applications. In this paper, we have reported the synthesis of HAP nanoparticles by banana peel pectin mediated green template method. The pectin extracted from the peels of banana and its various concentrations were exploited in our study to achieve a controlled crystallinity, particle size as well as uniform morphology of HAP. The extracted pectin was characterized by spectral techniques like Fourier transform infrared spectroscopy (FTIR) for the functional group analysis, proton-1 nuclear magnetic resonance spectroscopy (1H NMR) and carbon-13 nuclear magnetic resonance spectroscopy (13C NMR) for the identification of H and C atoms in the extracted pectin, respectively. The HAP nanoparticles were synthesized using different concentrations of the as-extracted pectin. The purity, crystallinity and morphology of the as-synthesized HAP nanoparticles were evaluated by FTIR, X-ray diffraction (XRD) and scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDAX) and transmission electron microscopy (TEM), respectively. Moreover the antibacterial activity of HAP nanoparticles was evaluated against the gram positive and negative bacteria like Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli), respectively. The experimental results revealed that the HAP nanoparticles synthesized in the presence of an optimized concentration of pectin are pure, low crystalline, spherical and discrete particles with reduced size. Also, the HAP sample derived in the presence of pectin showed an enhanced antibacterial activity than that of the HAP synthesized in the absence of pectin. Hence, the HAP nanoparticles synthesized using pectin as a green template can act as a good biomaterial for biomedical applications.

  9. Synthesis and spectral properties of novel chlorinated pH fluorescent probes

    Energy Technology Data Exchange (ETDEWEB)

    Wu Xianglong [Key Laboratory For Space Bioscience and Biotechnology, Faculty of Life Sciences, Northwestern Polytechnical University, Xi' an 710072 (China); Key Laboratory of Synthetic and Natural Functional Molecule Chemistry (Ministry of Education), College of Chemistry and Materials Science, Northwest University, Tai Bai Bei Lu 229, Xi' an 710069, Shaanxi (China); Jin Xilang; Wang Yunxia [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry (Ministry of Education), College of Chemistry and Materials Science, Northwest University, Tai Bai Bei Lu 229, Xi' an 710069, Shaanxi (China); Mei Qibing [Key Laboratory For Space Bioscience and Biotechnology, Faculty of Life Sciences, Northwestern Polytechnical University, Xi' an 710072 (China); Li Jianli, E-mail: lijianli@nwu.edu.c [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry (Ministry of Education), College of Chemistry and Materials Science, Northwest University, Tai Bai Bei Lu 229, Xi' an 710069, Shaanxi (China); Shi Zhen, E-mail: gahpyudx@163.co [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry (Ministry of Education), College of Chemistry and Materials Science, Northwest University, Tai Bai Bei Lu 229, Xi' an 710069, Shaanxi (China)

    2011-04-15

    Eight chlorinated fluoresceins have been synthesized by the reaction of chlorinated resorcinols with 4, 5, 6, 7-tetrachlorophthalic anhydride or 3, 6-dichloro-4-carboxyphthalic anhydride in the presence of methanesulfonic acid. The spectral properties of the chlorinated fluoresceins were studied. It was found that they have absorption and emission maxima at long wavelengths and high fluorescence quantum yields. Emission spectra of chlorinated fluoresceins shifted towards long wavelength with increase in chlorine. pH-dependent properties of chlorinated fluoresceins were studied in detail. These compounds showed a strongly pH-sensitive range of 3.0-7.0. These chlorinated fluoresceins will be used as pH probes for pH measurement of the cell because of the high quantum yield and strong pH-sensitivity. - Research highlights: Eight chlorinated fluoresceins have been synthesized in the presence of methanesulfonic acid. Emission spectra of these compounds shifted towards long wavelength with increase in chlorine. Eight chlorinated fluoresceins showed a strongly pH-sensitive range of 3.0-7.0. They have emission maxima at long wavelengths and high fluorescence quantum yields.

  10. Oxovanadium(IV), cerium(III), thorium(IV) and dioxouranium(VI) complexes of 1-ethyl-4-hydroxy-3-(nitroacetyl)quinolin-2(1H)-one: Synthesis, spectral, thermal, fluorescence, DFT calculations, antimicrobial and antitumor studies

    Science.gov (United States)

    El-Shafiy, H. F.; Shebl, Magdy

    2018-03-01

    A new series of mononuclear oxovanadium(IV), cerium(III), thorium(IV) and dioxouranium(VI) complexes of a quinolinone ligand; 1-ethyl-4-hydroxy-3-(nitroacetyl)quinolin-2(1H)-one (H2L) have been synthesized. The metal complexes were characterized by different techniques such as elemental and thermal analyses, IR, 1H NMR, electronic, ESR, mass spectra and powder XRD, TEM in addition to magnetic susceptibility and conductivity measurements. The quinolinone ligand acts as a dibasic bidentate ligand forming mononuclear complexes, which can be formulated as: [(L)VO(H2O)2]·0.5H2O, [(L)M(NO3)x(H2O)y]·nH2O; M = Ce or Th, x = 1 or 2, y = 3 or 4 and n = 2 or 7 and [(L)UO2(H2O)x(MeOH)y]·nH2O; x = 2 or 3, y = 0 or 1 and n = 0.5 or 2.5. The photoluminescent properties of the prepared complexes were studied. The ligand and its thorium(IV) complex are characterized by an intense green emission. Kinetic parameters (Ea, A, ΔH, ΔS and ΔG) of the thermal decomposition stages have been evaluated using Coats-Redfern equations. The geometry of the ligand and its oxovanadium(IV) complex has been optimized using density functional theory (DFT). Total energy, energy of HOMO and LUMO, dipole moment and structure activity relationship were performed and confirmed practical antimicrobial and antitumor results. The antimicrobial activity of the ligand and its metal complexes was conducted against the microorganisms S. aureus, K. pnemonia, E. coli, P. vulgaris and C. albicans and the MIC values were determined. The antitumor activity of the ligand and its metal complexes was investigated against human Hepatocelluar carcinoma and human breast cancer cell lines.

  11. Synthesis, characterization and spectral properties of new, highly fluorescent, 4-hydroxythiazoles

    Czech Academy of Sciences Publication Activity Database

    Kammel, R.; Tarabová, D.; Machalický, O.; Nepraš, M.; Frumarová, Božena; Hanusek, J.

    2016-01-01

    Roč. 128, May (2016), s. 101-110 ISSN 0143-7208 Institutional support: RVO:61389013 Keywords : 4-hydroxythiazoles * synthesis * absorption spectra Subject RIV: CC - Organic Chemistry Impact factor: 3.473, year: 2016

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

    Science.gov (United States)

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

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

  13. Synthesis, spectral characterization and computed optical analysis of potent triazole based compounds

    Science.gov (United States)

    Sumrra, Sajjad H.; Mushtaq, Fazila; Khalid, Muhammad; Raza, Muhammad Asam; Nazar, Muhammad Faizan; Ali, Bakhat; Braga, Ataualpa A. C.

    2018-02-01

    Biologically active triazole Schiff base ligand (L) and metal complexes [Fe(II), Co(II), Ni(II), Cu(II) and Zn(II)] are reported herein. The ligand acted as tridentate and coordinated towards metallic ions via azomethine-N, triazolic-N moiety and deprotonated-O of phenyl substituents in an octahedral manner. These compounds were characterized by physical, spectral and analytical analysis. The synthesized ligand and metal complexes were screened for antibacterial pathogens against Chromohalobacter salexigens, Chromohalobacter israelensi, Halomonas halofila and Halomonas salina, antifungal bioassay against Aspergillus niger and Aspergellus flavin, antioxidant (DPPH, phosphomolybdate) and also for enzyme inhibition [butyrylcholinesterase (BChE) and acetylcholinesterase (AChE)] studies. The results of these activities indicated the ligand to possess potential activity which significantly increased upon chelation. Moreover, vibrational bands, frontier molecular orbitals (FMOs) and natural bond analysis (NBO) of ligand (1) were carried out through density functional theory (DFT) with B3lYP/6-311 ++G (d,p) approach. While, UV-Vis analysis was performed by time dependent TD-DFT with B3lYP/6-311 ++G (d,p) method. NBO analysis revealed that investigated compound (L) contains enormous molecular stability owing to hyper conjugative interactions. Theoretical spectroscopic findings showed good agreement to experimental spectroscopic data. Global reactivity descriptors were calculated using the energies of FMOs which indicated compound (L) might be bioactive. These parameters confirmed the charge transfer phenomenon and reasonable correspondence with experimental bioactivity results.

  14. Synthesis, magnetic and spectral studies on polystyrene-anchored ...

    Indian Academy of Sciences (India)

    Administrator

    Zn(II) complex (160°C), Cd(II) complex (170°C) and U(VI) and Mo(VI) complexes (180°C). The IR spectra were recorded in KBr pellets on a Nicolet. 5DX FTIR Spectrophotometer calibrated with poly- styrene. The magnetic susceptibilities were meas- ured at room temperature by the Gouy method using. Hg[Co(NCS)4] as the ...

  15. Facile synthesis of ZnS nanorods in PEG and their spectral performance

    Science.gov (United States)

    Zhou, Dan-Jie; Xie, Xin-Yuan; Zhang, Yan-li; Guo, Dan-Yi; Zhou, Yi-Jia; Xie, Jin-Feng

    2016-10-01

    Green and one-step synthesis of ZnS nanorods through the interaction of zinc nitrate hexahydrate and S powder in PEG400 was studied. Orthogonal experiments were conducted to study the influence of the experimental conditions including the molar ratio of sulfur (nS) and zinc nitrate hexahydrate (nZn), the heating time and the molecular weight of PEG (200, 400, 600) on the nature and morphology of the products. The results show that the zinc/sulfur molar ratio determines the composition of the products. When the zinc/sulfur molar ratio is 2 mmol:1 mmol with temperature of 160 °C and reaction time of 120 min, homogeneous ZnS nanorods, with diameters and lengths of about 64 nm-110 nm and 110-1100 nm respectively are obtained. The structure, morphology, size, stability and optical properties of the products were investigated by x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), ultraviolet-visible (UV-vis) absorption and photoluminescence. The band-gap value estimated from the UV-vis absorption spectrum is 4.15 eV. The as-synthesized ZnS shows blue (469 nm) and green (506 nm) broad emission bands when they are excited by visible light (439 nm). Possible formation mechanism is also discussed.

  16. Synthesis, thermal, spectral, and biological properties of zinc(II) 4-aminobenzoate complexes

    Czech Academy of Sciences Publication Activity Database

    Homzová, K.; Györyová, K.; Hudecová, D.; Koman, M.; Melník, M.; Kovářová, Jana

    2017-01-01

    Roč. 129, č. 2 (2017), s. 1065-1082 ISSN 1388-6150 Institutional support: RVO:61389013 Keywords : zinc(II) 4-aminobenzoate * thermal * spectral Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 1.953, year: 2016

  17. Synthesis, spectral properties and thermal behaviour of zinc(II) acetylsalicylate

    Energy Technology Data Exchange (ETDEWEB)

    Lambi, John N.; Nsehyuka, Alfred T.; Egbewatt, Nkongho; Cafferata, Lazaro F.R.; Arvia, Alejandro J

    2003-03-05

    The thermal behaviour of zinc(II) acetylsalicylate [Zn(acsa){sub 2}(H{sub 2}O){sub 2}] with respect to phase transitions, pyrolysis both in air and inert (N{sub 2}) atmosphere, and product identification has been investigated. The complex was synthesised by metathesis in hot ethanol solution using aspirin (acetylsalicylic acid) as precursor and characterised via electronic and IR spectral analyses. Optical observations showed that the white salt does not undergo a direct transition from the solid to the liquid phase but rather goes slowly through an intermediate mesophase around 80 deg. C before melting rapidly to the brick-brown isotropic liquid around 134-136 deg. C. No liquid crystalline phases are however formed. This result was complemented by that from thermogravimetric (TG) studies in the ca. 25-600 deg. C range, which showed three main weight-loss phases of 8.0, 50.0 and 14.0% (around 200, 250 and 400 deg. C) corresponding, respectively, to the elimination of CO{sub 2}, xanthone and acetic acid. The pyrolysis products, as identified using a combination of instrumental (GC-MS) and wet chemical techniques are: CO{sub 2}; non-stoichiometric zinc oxide, most likely in the form: Zn{sub 1+x}O (where 0.0000{<=}x{<=}0.0003); and a mixture of organic products resulting from further decomposition, charring and other attendant thermal effects at the relatively high temperatures (ca. 600 deg. C) involved. Six of the principal organic products were identified and included salsalate and benorylate which are pro-drugs of salicylic acid, a well-known pharmaceutical.

  18. Merremoside D: de novo synthesis of the purported structure, NMR analysis, and comparison of spectral data.

    Science.gov (United States)

    Sharif, Ehesan U; Wang, Hua-Yu Leo; Akhmedov, Novruz G; O'Doherty, George A

    2014-01-17

    The first synthesis of the purported structure of Merremoside D has been achieved in 22 longest linear steps. The de novo asymmetric synthesis relied on the use of asymmetric catalysis to selectively install all 21 stereocenters in the final compounds from commercially available achiral starting materials. Adiabatic gradient 2D NMR techniques (gHSQCAD, gHMBCAD, gH2BCAD, gHSQCTOXYAD, ROESYAD) were used to completely assign the structure of synthetic Merremoside D. Comparison of our assignments with the limited NMR data reported for natural Merremoside D allows for the tentative confirmation of its structure.

  19. Solvent-free synthesis of azomethines, spectral correlations and antimicrobial activities of some E-benzylidene-4-chlorobenzenamines

    Directory of Open Access Journals (Sweden)

    R. Suresh

    2015-07-01

    Full Text Available Some azomethines including substituted benzylidene-4-chlorobenzenamines (E-imines have been synthesized by fly-ash: PTS catalyzed microwave assisted condensation of 4-chloroaniline and substituted benzaldehydes under solvent-free conditions. The yield of the imines has been found to be more than 85%. The purity of all imines has been checked using their physical constants and UV, IR and NMR spectral data. These spectral data have been correlated with Hammett substituent constants and F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. The antimicrobial activities of all imines have been studied using standard methods.

  20. SYNTHESIS, STRUCTURE AND SPECTRAL PROPERTIES OF POTASSIUMALUMINA- BORATE GLASS WITH NANOCRYSTALS OF MANGANESE FERRITE

    Directory of Open Access Journals (Sweden)

    D. I. Sobolev

    2016-07-01

    Full Text Available Subject of Research.The paper presents research results of optical properties of potassium-alumina-borate glass, activated with ions of iron and manganese. The formation process of nanocrystals of manganese ferrite MnFe2O4 in potassium-alumina-borate glass host was studied. Magneto-optical characteristics were analyzed. Method. The studied glasses were synthesized by the method of charge melting in the crucible. Potassium-alumina-borate glass system was used (K2O-Al2O3-B2O3 proposed by S.A. Stepanov (Vavilov State Institute. Glass system was doped by 3 wt% of Fe2O3 and 2 wt% MnO by weight (composition 1 and 2 wt% Fe2O3 and 1 wt% MnO by weight (composition 2. The glass transition temperature was 430 °C. Segregating of the crystal phase of manganese ferrite MnFe2O4 occurred during heat treatment at 550 °C for 2 hours in a programmable muffle furnace. The absorption spectrum in the wavelength range 200-2000 nm was recorded with Perkin Elmer Lambda 650 and Varian Cary 500 spectrophotometers. The XRD patterns were obtained on Rigaku Ultima IV X-ray diffractometer by copper anode with a wavelength λ (Cu = 0.15418 nm. Magneto-optical Verde constant was measured by the angle of polarization plane rotation of the passing light through the sample when the sample is placed in magnetic field. Main Results. New technological modes of potassium-alumina-borate glass synthesis doped with ions of iron and manganese were developed and studied. It is established that during heat treatment nanocrystals of manganese ferrites are evolved with an average size of 18 nm. These glasses have a Verde constant equal to 0.9 arc.min/(cm·Oe. It is shown that obtained glasses possess high absorbance in ultra-violet and visible light spectrum. Practical Relevance. Proposed and analyzed nanoglass-ceramics could be accepted as a basis for creation of sensing environments for sensors current and magnetic field and for creation of optical isolators based on the Faraday effect.

  1. Synthesis, Spectroscopic and Pharmacological Studies of Bivalent ...

    African Journals Online (AJOL)

    Synthesis, Spectroscopic and Pharmacological Studies of Bivalent Copper, Zinc and Mercury Complexes of Thiourea. ... All the metal complexes were characterized by elemental chemical analysis, molar conductance, magnetic susceptibility measurements and IR spectroscopy. Cu(II) complexes were additionally ...

  2. Spectral and photopic studies for high intensity discharge (HID lamps

    Directory of Open Access Journals (Sweden)

    Abd-Elmageed A.-E.A.

    2015-01-01

    Full Text Available Outdoor lighting sources such as High Intensity Discharge lamps (HID are common in these days. This research is focusing on the relation between the spectral power distribution and luminous efficiency function V(λ, which describes the average spectral sensitivity of human visual perception of brightness. The most useable HID lamps inside Egyptian markets are high pressure mercury (HPM, high pressure sodium (HPS and metal halide (MH. A set up based on single monochromator and integrating sphere for relative spectral power distribution and absolute luminous flux measurements are used, respectively. The accompanied standard uncertainties with the measurements are evaluated.

  3. Synthesis and spectral properties of preorganized BODIPYs in solutions and Langmuir-Schaefer films

    Science.gov (United States)

    Marfin, Yuriy S.; Usoltsev, Sergey D.; Kazak, Alexandr V.; Smirnova, Antonina I.; Rumyantsev, Evgeniy V.; Molchanov, Evgeniy E.; Kuznetsov, Vladimir V.; Chumakov, Alexey S.; Glukhovskoy, Evgeny G.

    2017-12-01

    In order to investigate the influence of molecular structure peculiarities of boron-dipyrrine dyes (BODIPYs) on their properties in solutions and supramolecular organization in Langmuir-Schaefer (LS) films, four new BODIPY dyes with various aliphatic, aromatic or mixed nature meso-subtituents were synthesized and investigated. Spectral characteristics (electronic absorption and fluorescence) of the synthesized compounds in organic solvents and LS-films were studied. Floating monolayers of the BODIPYs were formed from chloroform solutions placed onto water subphase in Langmuir-Blodgett through. Thin films were prepared using the Langmuir-Schaefer technique by the transfer of floating monolayers onto standard polished glass, ITO covered glass or pure silicon substrate. The variation of the dye structure we consider as a preorganization aiming to influence the structure of LS-films. The morphology and structure of the LS-films was examined by fluorescent microscopy, scanning electron microscopy, atomic force microscopy and small angle X-ray diffraction analysis. It was found that the introduced substituents have no substantial influence on the position of the absorption and fluorescence bands in dilute solutions. In contrast, the fluorescent characteristics of the LS-films significantly depend on the substituent nature. Therefore, this strategy could be used for the direct tuning of compounds fluorescent properties in LS-films. Concerning the LS-film surface characteristics it was proved that the films are homogeneous, without disruptions and only some widely-spaced microcrystals could be observed. With respect to the LS-film structure, the change of the substituents introduced to the BODIPY molecule did not influence the average given periodicity of layers (d = 0.3-0.4 nm). This value corresponds to a single-layer arrangement of BODIPY molecules located parallel to the substrate surface. Nevertheless, the diffraction peak intensities depended on the molecular

  4. Spectral studies of new fullerene-tetrathiafulvalene based system

    International Nuclear Information System (INIS)

    Laskowska, Barbara; Lapinski, Andrzej; Graja, Andrzej; Hudhomme, Pietrick

    2007-01-01

    Molecular and electronic structures as well as electronic and vibrational spectra of compounds 1-3 were investigated. The spectra were recorded in the large spectral range from 400 to 50,000 cm -1 ; our interest was focused on the electronic excitations of both moieties of the dyad and the intramolecular vibrations of the dyad's components. With the help of the Gaussian 03 program, molecular geometry, electron structure and normal mode analysis for the dyad and/or reference compounds were studied. An assignment of the main vibrational bands of the dyad and its reference molecules was made taking into consideration their IR and Raman spectra as well as results of the normal mode analysis. In principle, the intramolecular vibrations typical for C 60 and tetrathiafulvalene (TTF) derivatives can be found in the spectra of the dyad; the bands' frequencies are insignificantly shifted comparing with the separated molecules but their shape is usually modified. It suggests that symmetry and molecular structure of both components of the dyad are rather kept after dyad's formation but redistribution of charges occurs

  5. Pyridinoacridine alkaloids of marine origin: NMR and MS spectral data, synthesis, biosynthesis and biological activity

    Directory of Open Access Journals (Sweden)

    Louis P. Sandjo

    2015-09-01

    Full Text Available This review focuses on pyridoacridine-related metabolites as one biologically interesting group of alkaloids identified from marine sources. They are produced by marine sponges, ascidians and tunicates, and they are structurally comprised of four to eight fused rings including heterocycles. Acridine, acridone, dihydroacridine, and quinolone cores are features regularly found in these alkaloid skeletons. The lack of hydrogen atoms next to quaternary carbon atoms for two or three rings makes the chemical shift assignment a difficult task. In this regard, one of the aims of this review is the compilation of previously reported, pyridoacridine 13C NMR data. Observations have been made on the delocalization of electrons and the presence of some functional groups that lead to changes in the chemical shift of some carbon resonances. The lack of mass spectra information for these alkaloids due to the compactness of their structures is further discussed. Moreover, the biosynthetic pathways of some of these metabolites have been shown since they could inspire biomimetic synthesis. The synthesis routes used to prepare members of these marine alkaloids (as well as their analogues, which are synthesized for biological purposes are also discussed. Pyridoacridines were found to have a large spectrum of bioactivity and this review highlights and compares the pharmacophores that are responsible for the observed bioactivity.

  6. A spectral synthesis method to suppress aliasing and calibrate for delay errors in Fourier transform correlators

    Science.gov (United States)

    Kaneko, T.; Grainge, K.

    2008-10-01

    Context: Fourier transform (or lag) correlators in radio interferometers can serve as an efficient means of synthesising spectral channels. However aliasing corrupts the edge channels so they usually have to be excluded from the data set. In systems with around 10 channels, the loss in sensitivity can be significant. In addition, the low level of residual aliasing in the remaining channels may cause systematic errors. Moreover, delay errors have been widely reported in implementations of broadband analogue correlators and simulations have shown that delay errors exasperate the effects of aliasing. Aims: We describe a software-based approach that suppresses aliasing by oversampling the cross-correlation function. This method can be applied to interferometers with individually-tracking antennas equipped with a discrete path compensator system. It is based on the well-known property of interferometers where the drift scan response is the Fourier transform of the source's band-limited spectrum. Methods: In this paper, we simulate a single baseline interferometer, both for a real and a complex correlator. Fringe-rotation usually compensates for the phase of the fringes to bring the phase centre in line with the tracking centre. Instead, a modified fringe-rotation is applied. This enables an oversampled cross-correlation function to be reconstructed by gathering successive time samples. Results: Simulations show that the oversampling method can synthesise the cross-power spectrum while avoiding aliasing and works robustly in the presence of noise. An important side benefit is that it naturally accounts for delay errors in the correlator and the resulting spectral channels are regularly gridded

  7. Solvent‐free synthesis, spectral correlations and antimicrobial activities of some 3,4‐ dimethoxy chalcones

    Directory of Open Access Journals (Sweden)

    V. Mala

    2012-03-01

    Full Text Available Background: The aim of this study was to synthesise some substituted styryl 3,4-dimethoxy phenyl ketones using solvent-free SiO2-H2SO4 catalyzed aldol condensation between 3,4- dimethoxy acetophenone and substituted benzaldehydes under microwave irradiation. Then to characterize them by their analytical, physical and spectroscopic data, and also to study their the spectral correlation and antimicrobial activities.

  8. Synthesis, spectral analysis, optical and thermal properties of new organic NLO crystal: N,N";-Diphenylguanidinium Nitrate (DPGN)

    Science.gov (United States)

    Saravana Kumar, G.; Murugakoothan, P.

    2014-10-01

    A new organic NLO material N,N";-Diphenylguanidinium Nitrate (DPGN) single crystal was grown by slow evaporation technique using methanol as solvent. Single crystal X-ray diffraction and powder X-ray diffraction experiments were carried out in order to confirm the structure and crystalline nature of DPGN crystal. Wide band gap of 3.9 eV with transmittance of 57% up to 800 nm is observed for the grown crystal using UV-vis spectral analysis. The chemical bonding and presence of various functional groups were confirmed by the FT-IR and FT-Raman spectral studies. The thermal behavior of DPGN crystal was analyzed by simultaneous TG-DTA studies. The second harmonic generation (SHG) nonlinearity of the grown crystal was measured by Kurtz and Perry powder technique and was found to be comparable with that of the standard reference material potassium dihydrogen phosphate (KDP) crystal.

  9. Dioxidovanadium(V complexes with pyridoxalaminoguanidine: Synthesis, spectral and structural characterization

    Directory of Open Access Journals (Sweden)

    Lalović Mirjana M.

    2013-01-01

    Full Text Available Three square-pyramidal complexes of dioxidovanadium(V with pyridoxalaminoguanidine (PLAG, of the formulas NH4[VO2(PLAG−2H]∙H2O (1, VO2(PLAG−H (2 and K[VO2(PLAG−2H]∙H2O (3 have been synthesized and characterized by IR and UV-Vis spectral analysis and in case of 1 and 3 by X-ray crystallography as well. The reaction of aqueous ammoniacal solution of NH4VO3 and PLAG resulted in formation of 1, which in MeOH undergoes spontaneous transformation into 2, which, in turn, in the reaction with KOH transforms into 3. In these complexes PLAG is coordinated in a common tridentate ONN mode, via phenoxide oxygen atom and nitrogen atoms of azomethine and imino groups of the aminoguanidine fragment. In all previously characterized complexes PLAG was coordinated in neutral form. However, here we have proven that this ligand can be coordinated in both mono- (2 and doubly deprotonated form (1 and 3 as well. [Projekat Ministarstva nauke Republike Srbije, br. 172014].

  10. Synthesis and spectral characterization of silver/magnesium co-substituted hydroxyapatite for biomedical applications

    Science.gov (United States)

    Gopi, D.; Shinyjoy, E.; Kavitha, L.

    2014-06-01

    The present work is aimed at the synthesis of antibacterial and bioactive silver/magnesium co-substituted hydroxyapatite (Ag/Mg-HAP) powders. For this purpose, firstly, different concentrations (0.5, 1.5, 2.5 wt.%) of silver substituted HAP (Ag-HAP) powders were prepared by ultrasonic irradiation technique and were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDAX). Secondly, magnesium (Mg) is co-substituted as secondary material into Ag-HAP to offset the potential cytotoxicity of Ag, as higher concentration of Ag is toxic. The antibacterial activity of as-synthesized powders was evaluated by Escherichia coli (E. coli) and was found to be effectively high against bacterial colonization. Also, the in vitro cell-material interaction is evaluated with human osteosarcoma MG63 (HOS MG63) cells for cell proliferation. The results showed the evidence of cytotoxic effects of the higher concentration of Ag-HAP characterized by poor cellular viability whereas, Ag/Mg-HAP showed better cell viability indicating that co-substitution of Mg in Ag-HAP effectively offset the negative effects of Ag and improve performance compared with pure HAP. Thus, the as synthesized Ag/Mg-HAP will serve as a better candidate for biomedical applications with good antibacterial property and bone bonding ability.

  11. Unsymmetrical Mesoporphyrinic Complexes of Copper (II and Zinc (II. Microwave-Assisted Synthesis, Spectral Characterization and Cytotoxicity Evaluation

    Directory of Open Access Journals (Sweden)

    Rica Boscencu

    2011-06-01

    Full Text Available New unsymmetrical mesoporphyrinic complexes, namely 5-(4-hydroxyphenyl-10,15,20–tris-(4-carboxymethylphenyl–21,23-Zn(II-porphine and 5-(4-hydroxyphenyl-10,15,20–tris-(4-carboxymethylphenyl–21,23-Cu(II-porphine, were synthesized using a microwave irradiation method. The structures of the porphyrinic complexes were confirmed using FT-IR, UV–Vis, EPR and NMR spectral data. The spectral absorption and emission properties of the porphyrinic complexes were studied in organic solvents of different polarities and the influence of solvent polarity on the wavelengths of the absorbance and fluorescence band maxima is described. The cytotoxicity evaluation of the porphyrinic complexes was performed on human colon adenocarcinoma cell line HT29 for different doses and incubation times. The obtained result indicates a lack of or low toxicity for both compounds, thus recommending them for further testing in light activation protocols.

  12. A further study of spectral energetics in the winter atmosphere

    Science.gov (United States)

    Chen, T.-C.

    1982-01-01

    The contributions of standing (time-mean) and transient (time-departure) waves to the atmospheric spectral energetics are analyzed using the NMC (National Meteorological Center) data of winter 1976-1977. It is found that the standing long waves are responsible for the major horizontal sensible heat transport and also for the significant horizontal momentum transport. Furthermore, the major contents of eddy available energy and eddy kinetic energy of standing waves are in the long-wave regime. However, the spectral energetics analysis indicates that the standing long waves are energetically less efficient than the transient long and short waves. It is suggested that the lower efficiency of the standing long waves in the atmospheric energetics may be one of the physical factors causing the underforecast of the standing long waves in the numerical weather prediction models.

  13. A novel green template assisted synthesis of hydroxyapatite nanorods and their spectral characterization

    Science.gov (United States)

    Gopi, D.; Bhuvaneshwari, N.; Indira, J.; Kanimozhi, K.; Kavitha, L.

    2013-04-01

    Hydroxyapatite [HAP, Ca10(PO4)6(OH)2] is the main inorganic component of bone material and is widely used in various biomedical applications due to its excellent bioactivity and biocompatibility. In this paper we have reported the synthesis of hydroxyapatite nanorods by green template method using the extracts of three different natural sources which contain tartaric acid and also from commercially available one. The extracts of banana, grape and tamarind are taken as the sources of tartaric acid. The as-synthesized samples were characterized using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDAX). Also the antibacterial activity of HAP with different concentrations against two pathogen bacteria strains Escherichia coli (E. coli) and Klebsiella (Gram-negative bacteria) were tested. The results show that the particles of all the samples are of nanosized and pure. The crystallinity decreases as changing the sources of tartaric acid from commercial to natural one and also changing the natural sources from banana to tamarind extracts. The formation of nanorods are found in all the samples but the nanorods with uniform size distribution can be obtained only by using the tamarind extract as the source of tartaric acid. Moreover, the as-synthesised HAP nanorods derived from natural sources exhibited a strong antibacterial activity against both E. coli and Klebsiella at a concentration of 100 μl. The HAP nanorods synthesized by this method can act as a potential candidate for various biomedical applications.

  14. New format presentation for infrared spectral emittance data. Infrared spectrometry studies, phase 5

    Science.gov (United States)

    Lyon, R. J. P.; Green, A. A.

    1972-01-01

    Methods for infrared radiance measurements from geological materials were studied for airborne use over terrains with minimal vegetation. The tasks of the investigation were: (1) calculation of emittance ratios, (2) comparison of IR spectral emittance data with K-band scatterometer data over Pisgah Crater, and (3) standard infrared spectral file. Published papers reporting the research are included.

  15. Combustion synthesis and preliminary luminescence studies of ...

    Indian Academy of Sciences (India)

    The polycrystalline sample of LiBaPO4 : Tb3+ (LBPT) was successfully synthesized by solution combustion synthesis and studied for its luminescence characteristics. The thermoluminescence (TL) glow curve of LBPT material consists of two peaks at 204.54 and 251.21°C. The optimum concentration was 0.005 mol to ...

  16. Combustion synthesis and preliminary luminescence studies of ...

    Indian Academy of Sciences (India)

    bustion synthesis and studied for its luminescence characteristics. The thermoluminescence (TL) glow curve of. LBPT material consists of two peaks at 204.54 and 251.21◦C. The optimum concentration was 0.005 mol to obtain the higher TL intensity compared to commercial TLD-100 phosphor. The peak shape method was ...

  17. Combustion synthesis and preliminary luminescence studies of ...

    Indian Academy of Sciences (India)

    6, October 2015, pp. 1527–1531. c Indian Academy of Sciences. Combustion synthesis and preliminary luminescence studies of. LiBaPO4 : Tb. 3+ phosphor. C B PALAN1,∗, N S BAJAJ1, ... MS received 28 April 2015; accepted 8 June 2015. Abstract. ... In CW-OSL mode its sensitivity for beta expo- sure was found to be ...

  18. Synthesis and electrochemical studies of phenylazo substituted ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 112; Issue 6. Synthesis and electrochemical studies of phenylazo substituted tetraaza macrocyclic complexes of Ni(II). Randhir Singh Suresh Kumar Amarendra Bhattacharya. Inorganic and Analytical Volume 112 Issue 6 December 2000 pp 601-605 ...

  19. Synthesis, Spectroscopic and Pharmacological Studies of Bivalent ...

    African Journals Online (AJOL)

    NICO

    Synthesis, Spectroscopic and Pharmacological Studies of. Bivalent Copper, Zinc and Mercury Complexes of Thiourea. Shikha Parmar*, Yatendra Kumar and Ashu Mittal. I.T.S Paramedical College (Pharmacy), Delhi Meerut Road, Muradnagar, Ghaziabad 201206, India. Received 4 June 2010, revised 14 June 2010, ...

  20. Synthesis and electrochemical studies of phenylazo substituted ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Synthesis and characterization of some phenyl azo substituted tetraaza macrocyclic complexes of Ni(II) are reported. Electrochemical behaviour of these macrocyclic complexes has been examined using polarographic, voltammetric and spectroscopic techniques. These studies show that both the ligand and the ...

  1. Tomo-synthesis. Bibliographic study report

    International Nuclear Information System (INIS)

    2016-01-01

    Tomo-synthesis is a recent technique for breast imaging. This technique, qualified as 'pseudo-3D', draws the attention of health professionals. Indeed, this technique could offer a gain in sensibility and in specificity in the detection of breast cancers compared to 2D mammography, thanks to the reduction of the tissues' overlapping in particular. Although its place and its clinical indication are not still clearly defined, tomo-synthesis is already used in France. The introduction of this technique within the national breast cancer screening program, seems to be foreseen by the authorities in the coming years. IRSN, in the scope of its mission of evaluation of the dose impact of innovative techniques, is closely interested in this technique and has proceeded in 2015 to a bibliographical review of the state of the art in tomo-synthesis. This review paid specific attention to the following points: conception of the installations, dose, image quality and quality control. it has highlighted several points of attention, which incite IRSN to formulate certain recommendations to accompany the spreading of this new technique in France. Most of the clinical trials validating the use of tomo-synthesis were realized on systems of a single manufacturer. However, manufacturers' strategies of design are heterogeneous. There is no unique technique of tomo-synthesis but several, of which equivalence in terms of technical and clinical performances is not demonstrated. Due to the heterogeneity of the different models available on the French market, IRSN recommends not to extrapolate the results of clinical studies obtained on a specific system but to consolidate them for all the available systems. In many imaging departments, tomo-synthesis is already implemented in addition or in substitution of 2D mammography without any regulatory quality control and periodic technical checks. The European reference standard for quality control of these devices is not yet

  2. Solvent-free synthesis, spectral correlations and antimicrobial activities of some aryl E 2-propen-1-ones

    Science.gov (United States)

    Sathiyamoorthi, K.; Mala, V.; Sakthinathan, S. P.; Kamalakkannan, D.; Suresh, R.; Vanangamudi, G.; Thirunarayanan, G.

    2013-08-01

    Totally 38 aryl E 2-propen-1-ones including nine substituted styryl 4-iodophenyl ketones have been synthesised using solvent-free SiO2-H3PO4 catalyzed Aldol condensation between respective methyl ketones and substituted benzaldehydes under microwave irradiation. The yields of the ketones are more than 80%. The synthesised chalcones were characterized by their analytical, physical and spectroscopic data. The spectral frequencies of synthesised substituted styryl 4-iodophenyl ketones have been correlated with Hammett substituent constants, F and R parameters using single and multi-linear regression analysis. The antimicrobial activities of 4-iodophenyl chalcones have been studied using Bauer-Kirby method.

  3. Synthesis, characterization, antibacterial and antifungal studies of ...

    African Journals Online (AJOL)

    The analytical data of these metal complexes showed metal:ligand ratio of 1:2. The physico-chemical study supports the presence of square planar geometry around Cu(II) and octahedral geometry around Mn(II), Co(II), La(III) and Ce(III) ions. The IR spectral data reveal that the ligand behaves as bidentate with ON donor ...

  4. Synthesis of some substituted pyrazole-1- carbothioamides and spectral correlations in 3-(2,4-dibromophenyl-5-(substituted phenyl-4,5-dihydro-1H-pyrazole-1- carbothioamides

    Directory of Open Access Journals (Sweden)

    G. Thirunarayanan

    2013-06-01

    Full Text Available Background: This study aims to synthesise a series of 1-thiocarbomyl pyrazolines, including 3-(2,4-dibromophenyl-5-(substituted phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamides, using solvent-free fly-ash:PTS catalyzed cyclization between chalcones and thiosemicarbazide, under microwave irradiation. Then to characterize them using analytical, physical and spectroscopic data. Methods: Solvent-free microwave assisted cyclization was adopted for the synthesis of 1-thiocarbomyl, including 3-(2,4-dibromophenyl-5-(substituted phenyl-4,5-dihydro-1Hpyrazole-1-carbothioamides, using fly-ash:PTS as the catalyst. They were characterised by IR, NMR and mass spectroscopic data. The infrared (IR and nuclear magnetic resonance (NMR spectral data was correlated with substituent constants, F and R parameters, using Hammett equation, to study the effect of substituents. Results: The yields of the synthesised chalcones were more than 85%. The spectral data of these 3-(2,4-dibromophenyl-5-(substituted phenyl-4,5-dihydro-1H-pyrazole-1- carbothioamides had been correlated, using single and multi-linear regression analysis. These gave a satisfactory or fair degree of correlation with some parameters. Conclusion: Easy handling, non-hazardous and environmentally benign cyclization method had been adopted for the synthesis of 1-thiocarbomyl pyrazolines using fly-ash:PTS as catalyst, with better yields. Some of the Hammett spectral correlations were found to be satisfactory, with the observed spectroscopic data. Keywords: 3-(2,4-dibromophenyl-5-(substituted phenyl-4,5-dihydro-1H-pyrazole-1- carbothioamides, fly-ash:PTS, Solvent-free synthesis, Hammett correlations.

  5. Synthesis and spectral characterisation of a new metal complex with a bidentate ligand

    Science.gov (United States)

    Niculescu, Violeta; Tamaian, Radu; Păun, Nadia; Pîrnău, Adrian; Szabo, Laszlo

    2009-08-01

    Literature mentions the important biologic-active, antimalaric, antiviral, antitumoural, tuberculostatic properties of 3-alkyl-and 3-alkenyl-substituted derivatives of 2-hydroxy-1,4-naphthoquinone and arylamino-1,4-naphthoquinones; the same properties are shown by the complexes that these ligands form with metal ions, which act in the biological structures as essential microelement. This paper reports the study of the structure of some new electron-transfer complexes with bidentate ligands of the naphthoquinone series by using IR, visible and UV spectra. A quantum-mechanical interpretation of the electronic transitions for the free and coordinated ligand has been performed in order to get information on the coordination of the heteroatoms to the M(II). The complexes of transitional metals with naphthoquinonic ligand have been prepared by following the procedure described by Jensen and Nielsen. The structural formula of the free and coordinated organic ligand has been modelled on the computer. The electronic spectra of the complexes studied lead to the conclusion that they are square-planar.

  6. Synthesis, structure and reactivity studies

    Indian Academy of Sciences (India)

    parameter exchange functional in conjunction with Lee–Yang–Parr correlation functional. (B3LYP) has been employed in this study.19 Stuttgart–. Dresden effective core potential (ECP), representing. 19 core electrons, along with valence basis set, ...

  7. Synthesis, spectral elucidation, electrochemistry and DFT interpretation of manganese(II)-thioalkyl-arylazoimidazole complex

    Science.gov (United States)

    Nandi, Soumendranath; Das, Kuheli; Datta, Amitabha; Banerjee, Debashis; Roy, Suman; Mondal, Tapan Kumar; Mandal, Debashree; Nanda, Prasanta Kumar; Akitsu, Takashiro; Tanaka, Shinnosuke; Sinha, Chittaranjan

    2017-04-01

    One new Mn(II) thioalkyl-arylazoimidazole complex (1), [Mn(SRaaiNR/)2(SCN)2] (SRaaiNR/ = 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole and R = Me, R/ = Et) is afforded and systematically characterized by FT-IR, UV-Vis and EPR spectroscopy. The single crystal X-ray diffraction technique reveals that in complex 1, the central Mn atom possesses a tetrahedral environment of MnN4 sphere; coordinated by a pair of monodentate orientation of Nimidazolyl and NSCN atoms. Variable temperature magnetic moment confirms that in complex 1, there exists an antiferromagnetic coupling in tetrahedral symmetry. Cyclic voltammogram study of complex 1 evidenced the presence of a Mn(III)/Mn(II) redox response at 1.25 V alongwith azo reductions at -0.8 V. DFT computational using optimized geometry clearly explains the electronic and redox properties which is in accordance with the experimental evidence.

  8. Molecular modeling, FTIR spectral characterization and mechanical properties of carbonated-hydroxyapatite prepared by mechanochemical synthesis

    International Nuclear Information System (INIS)

    Youness, Rasha A.; Taha, Mohammed A.; Elhaes, Hanan; Ibrahim, Medhat

    2017-01-01

    Nanocrystalline B-type carbonate substituted hydroxyapatite (B-CHA) powder has been successively synthesized by mechanochemical method. The effect of milling times on the formation of B-CHA was investigated by Fourier transform infrared spectroscopy, X-ray diffraction technique and scanning electron microscopy. Moreover, physical as well as mechanical properties were examined as a function of milling time. Furthermore, theoretical model was presented for hydroxyapatite (HA). Semiempirical calculations at PM6 level were used to calculate thermal parameters including entropy; enthalpy; heat capacity; free energy and heat of formation in the temperature range from 200 up to 500 k. The results revealed that single phase B-CHA was successfully formed after 8 h of milling when Ball to Powder Ratio (BPR) equals to 10:1. Results revealed that entropy; enthalpy and heat capacity gradually increased as a function of temperature while, free energy and heat of formation decreased with the increasing of temperature. Comparison with higher level of theory was conducted at HF and DFT using the models HF/3-21g**; B3LYP/6-31G(d,p) and B3LYP/LANL2DZ, respectively and indicated that PM6 could be utilized with appropriate accuracy and time to study physical and thermochemical parameters for HA. - Highlights: • Preparation of Nanocrystalline B-type carbonate substituted hydroxyapatite (B-CHA) powder by mechanochemical method. • Characterization of CHA. • Semiemperical and DFT models for CHA.

  9. Microwave synthesis, spectral, thermal, and antimicrobial activities of some transition metal complexes involving 5-bromosalicylaldehyde moiety

    Directory of Open Access Journals (Sweden)

    Rajendra K. Jain

    2012-07-01

    Full Text Available The coordination complexes of Co(II, Ni(II and Cu(II derived from 5-bromosalicylidene-3,4-dimethylaniline (BSMA and 5-bromosalicylidene-3,4-dichloroaniline (BSCA have been synthesized by conventional as well as microwave methods. These compounds have been characterized by elemental analysis, FT-IR, molar conductance, electronic spectra, 1H-NMR, FAB-mass, ESR, magnetic susceptibility, electrical conductivity and thermal analysis. The complexes are coloured and stable in air. Analytical data revealed that all the complexes exhibited 1:2 (metal: ligand ratio with coordination number 4 or 6. IR data shows that the ligand coordinates with the metal ions in a bidentate manner through the phenolic oxygen and azomethine nitrogen. FAB-mass and thermal data show degradation pattern of the complexes. Solid state electrical conductivity studies reflect semiconducting nature of the complexes. The Schiff base and metal complexes show a good activity against the Gram-positive bacteria; Staphylococcus aureus and Gram-negative bacteria; Escherichia coli and fungi Aspergillus niger and Candida albicans.

  10. Molecular modeling, FTIR spectral characterization and mechanical properties of carbonated-hydroxyapatite prepared by mechanochemical synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Youness, Rasha A. [Spectroscopy Department, National Research Centre, El-Bohouth Str., 12622, Dokki, Giza (Egypt); Taha, Mohammed A. [Solid-State Physics Department, National Research Centre, El-Bohouth Str., 12622, Dokki, Giza (Egypt); Elhaes, Hanan [Physics Department, Faculty of Women for Arts, Science, and Education, Ain Shams University, 11757 Cairo (Egypt); Ibrahim, Medhat, E-mail: medahmed6@yahoo.com [Spectroscopy Department, National Research Centre, El-Bohouth Str., 12622, Dokki, Giza (Egypt)

    2017-04-01

    Nanocrystalline B-type carbonate substituted hydroxyapatite (B-CHA) powder has been successively synthesized by mechanochemical method. The effect of milling times on the formation of B-CHA was investigated by Fourier transform infrared spectroscopy, X-ray diffraction technique and scanning electron microscopy. Moreover, physical as well as mechanical properties were examined as a function of milling time. Furthermore, theoretical model was presented for hydroxyapatite (HA). Semiempirical calculations at PM6 level were used to calculate thermal parameters including entropy; enthalpy; heat capacity; free energy and heat of formation in the temperature range from 200 up to 500 k. The results revealed that single phase B-CHA was successfully formed after 8 h of milling when Ball to Powder Ratio (BPR) equals to 10:1. Results revealed that entropy; enthalpy and heat capacity gradually increased as a function of temperature while, free energy and heat of formation decreased with the increasing of temperature. Comparison with higher level of theory was conducted at HF and DFT using the models HF/3-21g**; B3LYP/6-31G(d,p) and B3LYP/LANL2DZ, respectively and indicated that PM6 could be utilized with appropriate accuracy and time to study physical and thermochemical parameters for HA. - Highlights: • Preparation of Nanocrystalline B-type carbonate substituted hydroxyapatite (B-CHA) powder by mechanochemical method. • Characterization of CHA. • Semiemperical and DFT models for CHA.

  11. Two 8-Hydroxyquinolinate Based Supramolecular Coordination Compounds: Synthesis, Structures and Spectral Properties

    Directory of Open Access Journals (Sweden)

    Chengfeng Zhu

    2017-03-01

    Full Text Available Two new Cr(III complexes based on 2-substituted 8-hydroxyquinoline ligands, namely [Cr(L13] (1, (HL1=(E-2-[2-(4-nitro-phenyl-vinyl]-8-hydroxy-quinoline and [Cr(L23] (2, (HL2=(E-2-[2-(4-chloro-phenylvinyl]-8-hydroxy-quinoline, were prepared by a facile hydrothermal method and characterized thoroughly by single crystal X-ray diffraction, powder X-ray diffraction, FTIR, TGA, ESI-MS, UV-Visible absorption spectra and fluorescence emission spectra. Single crystal X-ray diffraction analyses showed that the two compounds featured 3D supramolecular architectures constructed from noncovalent interactions, such as π···π stacking, C-H···π, C-H···O, C-Cl···π, C-H···Cl interactions. The thermogravimetric analysis and ESI-MS study of compounds 1 and 2 suggested that the Cr(III complexes possessed good stability both in solid and solution. In addition, the ultraviolet and fluorescence response of the HL1 and HL2 shown marked changes upon their complexation with Cr(III ion, which indicated that the two 8-hydroxyquinolinate based ligand are promising heavy metal chelating agent for Cr3+.

  12. Synthesis, characterization and antimicrobial studies

    Indian Academy of Sciences (India)

    ... the bispyrazolines 3a–3h is found to be dependent on the length of internal spacer unit. Keywords. Cyclization reactions; bischalcones; internal spacer; bispyrazolines; alkyl chains and antimicrobial activity. 1. Introduction. The study of heterocyclic systems has attracted the attention of organic chemists in the past decades.

  13. Spectral and multispectral imaging studies of lunar mantled mare deposits

    Science.gov (United States)

    Blewett, D. T.; Hawke, B. R.; Lucey, P. G.; Bell, J. F., III; Jaumann, R.; Hiesinger, H.; Neukum, G.; Spudis, P. D.

    1993-01-01

    Near-IR reflectance spectra (0.6-2.5 microns) and CCD images in the extended visible range (0.4-1.0 microns) obtained with Earth-based telescopes have been used to investigate the composition and origin of formations in the Schiller-Schickard region of the Moon. Of particular interest are the Schickard light plains, which represent an area of mantled mare basalt, or cryptomare. Here local pre-existing mare basalts were eroded and incorporated into a highlands-rich deposit by eject a from the Orientale Basin. Spectra observations of mature and immature highland and mare surfaces, as well as dark-halo crater materials provide information on the mafic mineralogy of features in the area. Analyses of the '1 micron' absorption band and spectral mixing models indicate that selected spots in the light plains contain on the order of 50 percent mare basalt. CCD image cubes can be used to map the amount of basalt in the light plains and evaluate changes with radial distance from Orientale.

  14. Spectral studies of Lanthanide interactions with membrane surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Karukstis, K.K.; Kao, M.Y.; Savin, D.A.; Bittker, R.A.; Kaphengst, K.J.; Emetarom, C.M.; Naito, N.R.; Takamoto, D.Y. [Harvey Mudd College, Claremont, CA (United States)

    1995-03-23

    We have monitored the interactions of the series of trivalent lanthanide cations with the thylakoid membrane surface of spinach chloroplasts using two complementary spectral techniques. Measurements of the fluorescence emission of the extrinsic probe 2-p-toluidinonaphthalene-6-sulfonate (TNS) and the absorbance of the intrinsic chromophore chlorophyll provide two sensitive means of characterizing the dependence of the cation-membrane interaction on the nature of the cation. In these systems, added lanthanide cations adsorb onto the membrane surface to neutralize exposed segments of membrane-embedded protein complexes. The lanthanide-induced charge neutralization increases the proximity of added TNS anion to the membrane surface as evidenced by variations in the TNS fluorescence level and wavelength of maximum emission. Our results reveal a strong dependence of TNS fluorescence parameters on both lanthanide size and total orbital angular momentum L value. Lanthanides with greater charge density (small size and/or low L value) enhance the TNS fluorescence level to a greater extent. A possible origin for the lanthanide-dependent TNS fluorescence levels is suggested in terms of a heterogeneity in the number and type of TNS binding sites. The data are consistent with the proposal that larger lanthanides with smaller enthalpies of hydration induce more significant membrane appression. 59 refs., 9 figs., 2 tabs.

  15. SYNTHESIS, SPECTRAL CHARACTERIZATIONS AND ...

    African Journals Online (AJOL)

    Preferred Customer

    applications in biological modeling, catalysis, design of molecular magnets and materials chemistry [27-29]. On the other hand, Schiff bases have been extensively used as ligands in coordination chemistry because of their excellent donor abilities and chelating agents [30-34]. Schiff bases metal complexes have many ...

  16. Synthesis, crystal structures, spectral, thermal and antimicrobial properties of new Zn(II) 5-iodo- and 5-bromosalicylates

    Science.gov (United States)

    Košická, Petra; Győryová, Katarína; Smolko, Lukáš; Gyepes, Róbert; Hudecová, Daniela

    2018-03-01

    Two new analogous zinc(II) complexes containing 5-iodo- and 5-bromosalicylate ligands, respectively, were prepared in single-crystal form and characterized by IR spectroscopy, thermal analysis and elemental analysis. The solid-state structures of prepared complexes were determined by single crystal X-ray crystallography. Both complexes are isostructural and their crystal structures composed of neutral molecules [Zn(5-Xsal)2(H2O)2] (where X = Br, I, sal = salicylato). Central Zn(II) atom is in both complexes coordinated by six oxygen atoms, four of which are from two chelate bonded 5-halosalicylates and remaining two from coordinated water molecules. The found chelate binding mode is in line with the Δ values calculated from IR spectral data. Antimicrobial activity of prepared complexes was studied against selected bacteria, yeast and filamentous fungi. Obtained results indicate that 5-iodosalicylate complex is more antimicrobially active than its 5-bromo substituted analogue.

  17. Application of Satellite-Based Spectrally-Resolved Solar Radiation Data to PV Performance Studies

    Directory of Open Access Journals (Sweden)

    Ana Maria Gracia Amillo

    2015-04-01

    Full Text Available In recent years, satellite-based solar radiation data resolved in spectral bands have become available. This has for the first time made it possible to produce maps of the geographical variation in the solar spectrum. It also makes it possible to estimate the influence of these variations on the performance of photovoltaic (PV modules. Here, we present a study showing the magnitude of the spectral influence on PV performance over Europe and Africa. The method has been validated using measurements of a CdTe module in Ispra, Italy, showing that the method predicts the spectral influence to within ±2% on a monthly basis and 0.1% over a 19-month period. Application of the method to measured spectral responses of crystalline silicon, CdTe and single-junction amorphous silicon (a-Si modules shows that the spectral effect is smallest over desert areas for all module types, higher in temperate Europe and highest in tropical Africa, where CdTe modules would be expected to yield +6% and single- junction a-Si modules up to +10% more energy due to spectral effects. In contrast, the effect for crystalline silicon modules is less than ±1% in nearly all of Africa and Southern Europe, rising to +1% or +2% in Northern Europe.

  18. Drug Development of the Antimalarial Agent Artemisinin: Total Synthesis, Analog Synthesis, and Structure-Activity Relationship Studies

    Science.gov (United States)

    1990-08-15

    jHoluenesulfonyl hydrazide in tetrahydrofuran (THF), solvolysis of the ketal group and subsequent hydrazone formation was observed. Under base...ARTEMISININ: TOTAL SYNTHESIS , ANALOG SYNTHESIS , AND STRUCTURE-ACTIVITY RELATIONSHIP STUDIES mc Mitchell A. Avery, Ph.D. SRI International...Antimalarial Agent Artemisinin: Total Synthesis , Analog Synthesis and Structure-Activity Relationship Studies 12 PERSONAL AUTHOR(S) Mitchell A

  19. Synthesis and spectral characterization of ternary complexes of oxovanadium(IV) containing some acid hydrazones and 2,2?-bipyridine

    Science.gov (United States)

    Sreeja, P. B.; Kurup, M. R. Prathapachandra

    2005-01-01

    An interesting series of heterocyclic base adducts of oxovanadium(IV) complexes have been synthesized by the reaction of vanadium(IV) oxide acetylacetonate with some hydrazones (H 2L) in the presence of a heterocyclic base 2,2'-bipyridine. The compounds were characterized by analytical and different physico-chemical techniques like IR, electron paramagnetic resonance (EPR) and UV-Vis spectral studies and magnetic studies. The EPR spectra indicate that the free electron is in the d xy orbital. The coordination geometry around oxovanadium(IV) in all complexes is octahedral, with one dibasic tridentate ligand L 2-, and one bidentate heterocyclic base. The IR spectra suggest that coordination takes place through azomethine nitrogen and enolate oxygen from the hydrazide moiety and phenolate oxygen. The pyridyl nitrogens of the hydrazones, H 2L 2 and H 2L 4 are not involved in the coordination. The molar conductivities show that all the complexes are non-electrolytes. All electronic transitions were assigned. All the compounds are paramagnetic. EPR studies of all compounds suggest axial symmetry. The calculated bonding parameters indicate that in-plane σ bonding is more covalent than in-plane π bonding.

  20. Mononuclear Pd(II) complex as a new therapeutic agent: Synthesis, characterization, biological activity, spectral and DNA binding approaches

    Science.gov (United States)

    Saeidifar, Maryam; Mirzaei, Hamidreza; Ahmadi Nasab, Navid; Mansouri-Torshizi, Hassan

    2017-11-01

    The binding ability between a new water-soluble palladium(II) complex [Pd(bpy)(bez-dtc)]Cl (where bpy is 2,2‧-bipyridine and bez-dtc is benzyl dithiocarbamate), as an antitumor agent, and calf thymus DNA was evaluated using various physicochemical methods, such as UV-Vis absorption, Competitive fluorescence studies, viscosity measurement, zeta potential and circular dichroism (CD) spectroscopy. The Pd(II) complex was synthesized and characterized using elemental analysis, molar conductivity measurements, FT-IR, 1H NMR, 13C NMR and electronic spectra studies. The anticancer activity against HeLa cell lines demonstrated lower cytotoxicity than cisplatin. The binding constants and the thermodynamic parameters were determined at different temperatures (300 K, 310 K and 320 K) and shown that the complex can bind to DNA via electrostatic forces. Furthermore, this result was confirmed by the viscosity and zeta potential measurements. The CD spectral results demonstrated that the binding of Pd(II) complex to DNA induced conformational changes in DNA. We hope that these results will provide a basis for further studies and practical clinical use of anticancer drugs.

  1. Synthesis, Spectral Analysis and Preliminary in Vitro Evaluation of Some Tetrapyrrolic Complexes with 3d Metal Ions

    Directory of Open Access Journals (Sweden)

    Radu Socoteanu

    2015-08-01

    Full Text Available In this paper, two tetrapyrrolic complexes, Zn(II-5-(3-hydroxyphenyl-10,15,20-tris-(4-acetoxy-3-methoxyphenylporphyrin and Cu(II-5-(3-hydroxyphenyl-10,15,20-tris-(4-acetoxy-3-methoxyphenylporphyrin were synthesized, and characterized from a spectral and biological point of view. The study provided data concerning the behavior of identical external substituents vs. two different core insertions. Some of the properties of the proposed tetrapyrrolic structures were highlighted, having photodynamic therapy of cancer as a targeted biomedical application. Elemental analysis, NMR, FTIR and UV-Vis data in various solvents were provided. A preliminary in vitro study on normal and cancer cultured cells was carried out for biocompatibility assessment in dark conditions. The preliminary in vitro study performed on human peripheral mononuclear cells exposed to tetrapyrrolic compounds (2 µM showed that the proposed compounds had a convenient cytotoxic profile on human normal peripheral blood mononuclear cells under dark conditions. Meanwhile, the investigated compounds reduced the number of metabolically active breast tumor MCF-7 cells, with the exception of Zn(II complex-containing a symmetrical ligand. Accordingly, preliminary in vitro data suggest that the proposed tetrapyrrolic compounds are good candidates for PDT, as they limit tumor expansion even under dark conditions, whilst sparing normal cells.

  2. Study of the spectral features of different biological samples

    Science.gov (United States)

    Atif, M.

    2015-03-01

    In the present study we have observed and analyzed the fluorescence changes in the fluorescence spectra of four different samples like brilliant sulphaflanine, quinine bisulphate, coumarine 120 and porcine cornea and sclera including the changes in fluorescence spectrum of cornea are also observed after CO2 laser exposure. The preliminary study clearly explains the proof of concept only.

  3. Design, synthesis, characterization and study of novel conjugated polymers

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wu [Iowa State Univ., Ames, IA (United States)

    1997-06-24

    After introducing the subject of conjugated polymers, the thesis has three sections each containing a literature survey, results and discussion, conclusions, and experimental methods on the following: synthesis, characterization of electroluminescent polymers containing conjugated aryl, olefinic, thiophene and acetylenic units and their studies for use in light-emitting diodes; synthesis, characterization and study of conjugated polymers containing silole unit in the main chain; and synthesis, characterization and study of silicon-bridged and butadiene-linked polythiophenes.

  4. Study Toward the Total Synthesis of Pyrenophorin

    Directory of Open Access Journals (Sweden)

    Everaldo F. Santos Filho

    2012-06-01

    Full Text Available Macrodiolides are macrocyclic compounds containing two ester groups in a cyclic chain. Of this class of compounds, Pyrenophorin (1 shows antifungal activity, and is produced from the pathogenic fungus Pyrenophora avenae. As this substance, derived from nature, is isolated in small quantities, an asymmetric synthesis using a simple and efficient methodology would be of great interest. The proposed synthetic route starts with the protection of propargyl alcohol 3 using DHP and feldspar as catalyst. Compound 5 obtained in this reaction was then subjected to acid-base reaction between the acetylenic proton and 1 eq. n-BuLi, leading to formation of the acetylide 5A. The 1,2- addition reaction between 5A and g-valerolactone (6 leads to the formation of alkinone 7 in 67% yield. Subsequently, compound 7 was subjected to a ketalization reaction using the same feldspar catalyst. Ketal 8 was formed under concomitant removal of the THP group. The product of this reaction (8 was then submitted to a reduction reaction of the triple bond to form olefin 9 with E configuration. Currently, the conditions for obtaining 10 by oxidation using Jones reagent, are being optimized. Compound 10,    obtained as described, is being subjected to a macrolactonization reaction. Various conditions including the use of enzymes are being studied. In addition, a study involving the enantioselective synthesis of (R,R-(--pyrenophorin, using enzymatic kinetic resolution of the racemic mixture of compound 8, is in progress in the group

  5. Equilibrium and spectral studies on ligational behaviour of N, N ...

    Indian Academy of Sciences (India)

    The ligand N,N'-diformylhydrazine (DFH) is a resonance hybrid of its keto- and enol-forms. The resonance structures indicate enolisation of one as well as both the carbonyl groups. This indicates the presence of dissociable protons in the molecule. Equilibrium studies carried out with DFH indicate the presence of one ...

  6. Study of ammonia synthesis using technetium catalysts

    International Nuclear Information System (INIS)

    Spitsyn, V.I.; Mikhajlenko, I.E.; Pokrovskaya, O.V.

    1982-01-01

    A study was made on catalytic properties of technetium in ammonia synthesis reaction. The preparation of technetium catalysts on ν-Al 2 O 3 , BaTiO 3 , BaO-ν-Al 2 O 3 substrates is described. The investigation of catalytic activity of catalysts was carried out at a pressure of 1 atm. in vertical reactor with volume rate of 15000 h - 1 in the temperature range of 350-425 deg. The amount of catalyst was 0.5-1 g, the volume- 0.5 ml, the size of granules- 2-3 mm. Rate constants of ammonia synthesis reaction were calculated. Seeming activation energies of the process have meanings wihtin the limits of 40-50 kcal/mol. It was shown that with increase in concentration of Tc on BaTiO 3 the catalytic activity rises in comparison with pure Tc. The reduction of catalytic activity with increase of metal content on Al 2 O 3 begins in the limits of 3.5-6.7% Tc/ν-Al 2 O 3 . The catalyst of 5.3% Tc/4.1% Ba/ν -Al 2 O 3 compound has the maximum activity. Technetium catalysts possess the stable catalytic activity and don't requre its reduction during several months

  7. Half-sandwich d6 metal complexes with bis(pyridine carboxamide)benzene ligand: Synthesis and spectral analysis

    Science.gov (United States)

    Aradhyula, Basava Punna Rao; Kaminsky, Werner; Kollipara, Mohan Rao

    2017-12-01

    The reactions of [(arene)MCl2]2 dimers with the 1,4-bis(2-pyridine carboxamido)benzene (H2L) have been reported here with the formulations as [(arene)MCl(HL)] {where, arene = p-cymene, M = Ru (1), arene = Cp*, M = Rh (2) and Ir (3)}and [{(arene)MCl}2L] {where, arene = p-cymene, M = Ru (4), arene = Cp*, M = Rh (5) and Ir (6)}, which resulted in a series of mono- and di-nuclear neutral complexes. These complexes have been characterized by various spectral analyses. Complexes 2-6 are additionally described by the single crystal X-ray diffraction studies. Single crystal X-ray analyses of complexes showed that they are neutral in nature and vicinity around the metal is distorted octahedral. The chloride atoms and Cp* moieties are in cis orientation with respect to the ligand in the case of complex 6. Complexes 2, 3 and 5 are crystallized with the solvent dichloromethane molecule.

  8. Spectral Study of the Interaction of Myoglobin with Tannin

    Science.gov (United States)

    Grigoryan, K. R.; Sargsyan, L. S.

    2016-07-01

    The interaction of myoglobin with tannin (tannic acid) at 298.15 and 303.15 K was studied by fluorescence and absorption spectroscopy in the UV region. The physicochemical and thermodynamic binding parameters (the fluorescence quenching mechanism, the bonding constant, the number of binding sites, the type of interaction) and parameters of the formed complex were determined. It was found that binding of myoglobin with tannic acid does not lead to significant changes in the electronic state of the heme ring of myoglobin.

  9. Numerical Simulations of Kinetic Alfvén Waves to Study Spectral ...

    Indian Academy of Sciences (India)

    Numerical Simulations of Kinetic Alfvén Waves to Study Spectral. Index in Solar Wind Turbulence and Particle Heating. R. P. Sharma. ∗. & H. D. Singh. Center for Energy Studies, Indian Institute of Technology, Delhi 110 016, India. ∗ e-mail: rpsharma@ces.iitd.ernet.in. Abstract. We present numerical simulations of the ...

  10. Single Molecule Study of Photoconversion and Spectral Heterogeneities of Fluorophores

    DEFF Research Database (Denmark)

    Liao, Zhiyu

    of conformational changes and dynamics. The photophysical properties of organic dyes directly determine the quality of the experiments. So the better understanding of the photophysical properties of organic dyes, the better we are able to design the experiments and interpret the data, especially in single molecule...... 104 single molecule measurements. A simple and practical method is introduced to study the characteristics of the photoproducts at the ensemble level. Control experiments reveal that the reaction leading to photobleaching is oxygen related, but the composition of the photoproducts remains inconclusive...... stimulate new pathways in engineering and designing photoconvertible fluorophores, based on the reaction with oxygen or other chemicals. Besides, this results show that dyes that convert into other emissive species could give problems when interpreting single molecule FRET systems. The revealed mechanism...

  11. Spectral absorption studies of visible materials. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Bass, M.; Swimm, R.T.

    1986-01-01

    Results of studies of optical absorption in twelve thin-film optical coatings at 482 nm wavelength, surface and bulk absorption in sapphire throughout the visible and near IR, and initial measurements in KDP are described. Laser calorimetry was carried out at room temperature, using an unfocused laser beam at normal incidence. All thin-film absorption data yielded values of P/sub abs//P/sub inc/ in the range 3 x 10 U to 3 x 10 T at a wavelength of 482 nm. Sapphire absorption showed Urbach-tail behavior at 350 nm to 1300 nm. The range of absorption, being far lower than usual, extends the range of application of Urbach's rule. Finally, KDP measurements were attempted, but surface degradation due to the hydroscopic nature of the samples resulted in excessive light scatter.

  12. Growth, spectral and thermal studies of ibuprofen crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ramukutty, S.; Ramachandran, E. [Department of Physics, Thiruvalluvar College, Papanasam (India)

    2012-01-15

    RS -Ibuprofen was crystallized for the first time in silica gel under suitable pH conditions by reduction of solubility method. The grown crystals were characterized by single crystal X-ray diffraction and density measurement. The functional groups present in the crystal were identified using Fourier transform infrared spectroscopy. Optical bandgap energy of ibuprofen was estimated as 3.19(3) eV from UV-Vis spectrum. Thermogravimetric analysis revealed that ibuprofen is thermally stable upto 102.9 C and the initial loss of mass was due to evaporation only. Morphological study showed that the growth is prominent along b-axis and the prominent face is {l_brace}100{r_brace}. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Earthquake Source Spectral Study beyond the Omega-Square Model

    Science.gov (United States)

    Uchide, T.; Imanishi, K.

    2017-12-01

    Earthquake source spectra have been used for characterizing earthquake source processes quantitatively and, at the same time, simply, so that we can analyze the source spectra for many earthquakes, especially for small earthquakes, at once and compare them each other. A standard model for the source spectra is the omega-square model, which has the flat spectrum and the falloff inversely proportional to the square of frequencies at low and high frequencies, respectively, which are bordered by a corner frequency. The corner frequency has often been converted to the stress drop under the assumption of circular crack models. However, recent studies claimed the existence of another corner frequency [Denolle and Shearer, 2016; Uchide and Imanishi, 2016] thanks to the recent development of seismic networks. We have found that many earthquakes in areas other than the area studied by Uchide and Imanishi [2016] also have source spectra deviating from the omega-square model. Another part of the earthquake spectra we now focus on is the falloff rate at high frequencies, which will affect the seismic energy estimation [e.g., Hirano and Yagi, 2017]. In June, 2016, we deployed seven velocity seismometers in the northern Ibaraki prefecture, where the shallow crustal seismicity mainly with normal-faulting events was activated by the 2011 Tohoku-oki earthquake. We have recorded seismograms at 1000 samples per second and at a short distance from the source, so that we can investigate the high-frequency components of the earthquake source spectra. Although we are still in the stage of discovery and confirmation of the deviation from the standard omega-square model, the update of the earthquake source spectrum model will help us systematically extract more information on the earthquake source process.

  14. Study of ammonia synthesis over uranium catalysts

    International Nuclear Information System (INIS)

    Spitsyn, V.I.; Erofeev, B.V.; Mikhajlenko, I.E.; Gorelkin, I.I.; Ivanov, L.S.

    1980-01-01

    The effect of induced radiactivity and chemical composition of uranium catalysts on their catalytic activity in the ammonia synthesis reaction has been studied. The catalyst samples comprise pieces of metal uranium and chip irradiated in nuclear reactor by the 4.3x10 16 n/cm 2 integral flux of slow neutrons. Studies of catalytic activity was carried out at 1 atm and 340-510 deg C when stoichiometric nitrogen-hydrogen mixture passed through the following installation. At different temperatures uranium nitrides of different composition are shown to be formed. Uranium nitrides with the composition close to UN 2 are the samples with the highest catalYtic activity. The reduction of catalytic activity of uranium catalysts with the increased temperature of their formation above 400 deg C is explained by low catalytic activity of forming UNsub(1.7) in comparison with UN 2 . Catalytic properties of irradiated and nonirradiated samples do not differ from one another

  15. [Studies of enzymatic synthesis of biodiesel].

    Science.gov (United States)

    Deng, Li; Tan, Tian-Wei; Wang, Fang

    2003-01-01

    Biodiesel, an alternative diesel fuel, fatty acid alkyl ester, is made from renewable biological sources such as vegetable oils and animal fats. Two processes for biodiesel synthesis, enzymatic lipase catalytic esterification from fatty acid and transesterification from oils and fats, was investigated. The effects of various lipases, enzyme amount and purity, solvent, water absorbent, inhibition of short chains alcohol, specificity of substrate, molar ratio of substrate on esterification were studied in detail. The esterification degree with the optimal parameter and process can reach up to 92%. The purity of biodiesel obtained by separation and purification is up to 98%, and the half-life of the immobilized lipase for the esterification process can be up to 360hr, Moreover, the preliminary studies of the transesterification including the amount of methanol and mode of adding methanol into reaction system were made. The transesterification degree with adding methanol stepwise can reach 83%.

  16. Synthesis and spectral properties of Methyl-Phenyl pyrazoloquinoxaline fluorescence emitters: Experiment and DFT/TDDFT calculations

    Science.gov (United States)

    Gąsiorski, P.; Matusiewicz, M.; Gondek, E.; Uchacz, T.; Wojtasik, K.; Danel, A.; Shchur, Ya.; Kityk, A. V.

    2018-01-01

    Paper reports the synthesis and spectroscopic studies of two novel 1-Methyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline (PQX) derivatives with 6-substituted methyl (MeMPPQX) or methoxy (MeOMPPQX) side groups. The optical absorption and fluorescence emission spectra are recorded in solvents of different polarity. Steady state and time-resolved spectroscopy provide photophysical characterization of MeMPPQX and MeOMPPQX dyes as materials for potential luminescence or electroluminescence applications. Measured optical absorption and fluorescence emission spectra are compared with quantum-chemical DFT/TDDFT calculations using long-range corrected xc-functionals, LRC-BLYP and CAM-B3LYP in combination with self-consistent reaction field model based on linear response (LR), state specific (SS) or corrected linear response (CLR) solvations. Performances of relevant theoretical models and approaches are compared. The reparameterized LRC-BLYP functional (ω = 0.231 Bohr-1) in combination with CLR solvation provides most accurate prediction of both excitation and emission energies. The MeMPPQX and MeOMPPQX dyes represent efficient fluorescence emitters in blue-green region of the visible spectra.

  17. An X-ray spectral study of 24 type-1 AGN

    OpenAIRE

    Reynolds, C. S.

    1996-01-01

    I present a study of the X-ray spectral properties of a sample containing 24 type-1 active galactic nuclei using the medium spectral resolution of ``ASCA''. The sample consists of 20 radio-quiet objects and 4 radio-loud objects. A simple power-law continuum absorbed by Galactic material provides a very poor description of the spectra of most objects. Deviations from the power-law form are interpreted in terms of X-ray reprocessing/absorption processes. In particular, at least half of the obje...

  18. Spectral studies of coordination compounds of cobalt(II) with thiosemicarbazone of heterocyclic ketone

    Science.gov (United States)

    Chandra, Sulekh; Kumar, Umendra

    2005-12-01

    The paper presents the spectral analysis of cobalt(II) complexes with indoxyl thiosemicarbazone (ITSC) of general composition [CoL 2X 2] (where L = ITSC, X = Cl -, NO 3-, (1/2)SO 42-, NCS -). The geometry of the complexes have been characterized by elemental analysis, molar conductance, magnetic susceptibility measurements and spectral (electronic, IR, EPR, 1H NMR, mass) studies. The various physico-chemical techniques suggested a coordination number of six (octahedral) for chloro, nitrato and thiocyanato complexes. Whereas sulfato complex was found to have five coordinate trigonal-bipyramidal geometry. All the complexes are of high spin type showing magnetic moment corresponding to three unpaired electrons.

  19. Combustion synthesis and photoluminescence study of silicate ...

    Indian Academy of Sciences (India)

    Silicate based bioceramics are promising candidates as biomaterials for tissue engineering. The combustion synthesis method provides control on the morphology and particle size of the synthesized material. This paper discusses the combustion synthesis of akermanite (Ca2MgSi2O7 and Sr2MgSi2O7), which has been ...

  20. Synthesis, spectral characterization, molecular modeling and antimicrobial activity of new potentially N2O2 Schiff base complexes

    Science.gov (United States)

    Adly, Omima M. I.; Taha, Ali; Fahmy, Shery A.

    2013-12-01

    Metal complexes of a new potentially tetradentate symmetrical Schiff base ligand (H2L) with Cu(II), Ni(II), Co(II), VO(IV), Zn(II), Cd(II), Ce(III), Fe(III) and UO2(VI) metal ions have been synthesized and characterized based on their elemental analyses, spectral (IR, UV-Vis, 1H NMR and mass spectra), magnetic and molar conductance studies as well as thermal gravimetric analysis (TGA). The synthesized complexes have the general formula [MHxL(H2O)yXn]: x = 0-1, y = 0-4 and n = 0-1; where: L = dianion of 6-hydroxy-5-[N-(2-{[(1E)-1-(6-hydroxy-2,4-dioxo-3,4-dihydro-2H-1,3-thiazin-5-yl)ethylidene]amino}ethyl) ethanimidoyl]-2H-1,3-thiazine-2,4(3H)-dione and X = nitrate or sulphate anion. The ligand behaves as diabasic tetradentate N2O2 sites, except in cases of Co(II), VO(IV) and UO2(VI) metal ions, it behaves as monobasic tetradentate Schiff base ligand. The metal complexes exhibited square planar, square-pyramidal and octahedral geometrical arrangements except for Ce(III) and UO2(VI) complexes, they are octa-coordinated. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition stages of some complexes. Structural parameters of the ligand and its metal complexes have been theoretically computed on the basis of semiemperical PM3 level, and the results were correlated with their experimental data. The antimicrobial activities of the ligand and its metal complexes were tested against some Gram-positive and Gram-negative bacteria; and fungus strain and the results were discussed.

  1. Study of stratified dielectric slab medium structures using pseudo-spectral time domain (PSTD) algorithm

    DEFF Research Database (Denmark)

    Tong, M.S.; Lu, Y.; Chen, Y.

    2005-01-01

    A planar stratified dielectric slab medium, which is an interesting problem in optics and geophysics, is studied using a pseudo-spectral time-domain (PSTD) algorithm. Time domain electric fields and frequency domain propagation characteristics of both single and periodic dielectric slab...

  2. Spectral analysis in microscopy : a study of FRET and single quantum dot luminescence

    NARCIS (Netherlands)

    Frederix, Patrick Louis Theodorus Martin

    2001-01-01

    This thesis deals with the development of new techniques and luminescent markers, to improve the quality of luminescence studies in microscopy. A sensitive spectrograph that can be used for spectrally resolved emission spectroscopy in the microscope is described, including design considerations,

  3. Comparative study of spectral flexibilities of bacterial light-harvesting complexes: Structural implications

    NARCIS (Netherlands)

    Rutkauskas, D.; Olsen, J.; Gall, A.; Cogdell, R.J.; Hunter, C.N.; van Grondelle, R.

    2006-01-01

    This work presents a comparative study of the frequencies of spectral jumping of individual light-harvesting complexes of six different types: LH2 of Rhodopseudomonas acidophila, Rhodobacter sphaeroides, and Rhodospirillum molischianum; LH1 of Rhodobacter sphaeroides; and two "domain swap mutants"

  4. Study of stratified dielectric slab medium structures using pseudo-spectral time domain (PSTD) algorithm

    DEFF Research Database (Denmark)

    Tong, M.S.; Lu, Y.; Chen, Y.

    2005-01-01

    A planar stratified dielectric slab medium, which is an interesting problem in optics and geophysics, is studied using a pseudo-spectral time-domain (PSTD) algorithm. Time domain electric fields and frequency domain propagation characteristics of both single and periodic dielectric slab-layer str...

  5. Synthesis, spectral and quantum chemical studies and use of (E)-3-[(3,5-bis(trifluoromethyl)phenylimino)methyl]benzene-1,2-diol and its Ni(II) and Cu(II) complexes as an anion sensor, DNA binding, DNA cleavage, anti-microbial, anti-mutagenic and anti-cancer agent

    Science.gov (United States)

    Ünver, Hüseyin; Boyacıoğlu, Bahadır; Zeyrek, Celal Tuğrul; Yıldız, Mustafa; Demir, Neslihan; Yıldırım, Nuray; Karaosmanoğlu, Oğuzhan; Sivas, Hülya; Elmalı, Ayhan

    2016-12-01

    We report the synthesis of a novel Schiff base (E)-3-[(3,5-bis(trifluoromethyl) phenylimino)methyl] benzene-1,2-diol from the reaction of 2,3-dihydroxybenzaldehyde with 3,5-bis(trifluoromethyl)aniline, and its Ni(II) and Cu(II) complexes. The molecular structure of the Schiff base was experimentally determined using X-ray single-crystal data and was compared to the structure predicted by theoretical calculations using density functional theory (DFT), Hartree-Fock (HF) and Möller-Plesset second-order perturbation (MP2). In addition, nonlinear optical (NLO) effects of the compound was predicted using DFT. The antimicrobial activities of the compounds were investigated for their minimum inhibitory concentration. UV-Vis spectroscopy studies of the interactions between the compounds and calf thymus DNA (CT-DNA) showed that the compounds interacts with CT-DNA via intercalative binding. A DNA cleavage study showed that the Cu(II) complex cleaved DNA without any external agents. The compounds inhibited the base pair mutation in the absence of S9 with high inhibition rate. In addition, in vitro cytotoxicity of the Ni(II) complex towards HepG2 cell line was assayed by the MTT method. Also, the colorimetric response of the Schiff base in DMSO to the addition of equivalent amount of anions (F-, Br-, I-, CN-, SCN-, ClO4-, HSO4-, AcO-, H2PO4-, N3- and OH-) was investigated. In this regard, while the addition of F-, CN-, AcO- and OH- anions into the solution containing Schiff base resulted in a significant color change, the addition of Br-, I-, SCN-, ClO4-, HSO4-, H2PO4- and N3- anions resulted in no color change. The most discernable color change in the Schiff base was caused by CN-, which demonstrated that the ligand can be used to selectively detect CN-.

  6. Fluorescence spectral studies of Gum Arabic: Multi-emission of Gum Arabic in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Dhenadhayalan, Namasivayam, E-mail: ndhena@gmail.com [Department of Chemistry, National Taiwan University, Taipei, Taiwan (China); Mythily, Rajan, E-mail: rajanmythily@gmail.com [Department of Chemistry, Dwaraka Doss Goverdhan Doss Vaishnav College (Autonomous), 833, Gokul Bagh, E.V.R. Periyar Road, Arumbakkam, Chennai 600 106 (India); Kumaran, Rajendran, E-mail: kumaranwau@rediffmail.com [Department of Chemistry, Dwaraka Doss Goverdhan Doss Vaishnav College (Autonomous), 833, Gokul Bagh, E.V.R. Periyar Road, Arumbakkam, Chennai 600 106 (India)

    2014-11-15

    Gum Arabic (GA), a food hydrocolloid is a natural composite obtained from the stems and branches of Acacia Senegal and Acacia Seyal trees. GA structure is made up of highly branched arabinogalactan polysaccharides. Steady-state absorption, fluorescence, and time-resolved fluorescence spectral studies of acid hydrolyzed GA solutions were carried out at various pH conditions. The fluorescence in GA is predominantly attributed to the presence of tyrosine and phenylalanine amino acids. The presence of multi-emissive peaks at different pH condition is attributed to the exposure of the fluorescing amino acids to the aqueous phase, which contains several sugar units, hydrophilic and hydrophobic moieties. Time-resolved fluorescence studies of GA exhibits a multi-exponential decay with different fluorescence lifetime of varying amplitude which confirms that tyrosine is confined to a heterogeneous microenvironment. The existence of multi-emissive peaks with large variation in the fluorescence intensities were established by 3D emission contour spectral studies. The probable location of the fluorophore in a heterogeneous environment was further ascertained by constructing a time-resolved emission spectrum (TRES) and time-resolved area normalized emission spectrum (TRANES) plots. Fluorescence spectral technique is used as an analytical tool in understanding the photophysical properties of a water soluble complex food hydrocolloid containing an intrinsic fluorophore located in a multiple environment is illustrated. - Highlights: • The Manuscript deals with the steady state absorption, emission, fluorescence lifetime and time-resolved emission spectrum studies of Gum Arabic in aqueous medium at various pH conditions. • The fluorescence emanates from the tyrosine amino acid present in GA. • Change in pH results in marked variation in the fluorescence spectral properties of tyrosine. • Fluorescence spectral techniques are employed as a tool in establishing the

  7. Impact of spectral nudging and domain size in studies of RCM response to parameter modification

    Energy Technology Data Exchange (ETDEWEB)

    Separovic, Leo; Laprise, Rene [Universite du Quebec a Montreal, Centre pour l' Etude et la Simulation du Climat a l' Echelle Regionale (ESCER), Montreal, QC (Canada); Universite du Quebec a Montreal (UQAM), Montreal, QC (Canada); Elia, Ramon de [Universite du Quebec a Montreal, Centre pour l' Etude et la Simulation du Climat a l' Echelle Regionale (ESCER), Montreal, QC (Canada); Consortium Ouranos, Montreal, QC (Canada)

    2012-04-15

    The paper aims at finding an RCM configuration that facilitates studies devoted to quantifying RCM response to parameter modification. When using short integration times, the response of the time-averaged variables to RCM modification tend to be blurred by the noise originating in the lack of predictability of the instantaneous atmospheric states. Two ways of enhancing the signal-to-noise ratio are studied in this work: spectral nudging and reduction of the computational domain size. The approach followed consists in the analysis of the sensitivity of RCM-simulated seasonal averages to perturbations of two parameters controlling deep convection and stratiform condensation, perturbed one at a time. Sensitivity is analyzed within different simulation configurations obtained by varying domain size and using the spectral nudging option. For each combination of these factors multiple members of identical simulations that differ exclusively in initial conditions are also generated to provide robust estimates of the sensitivities (the signal) and sample the noise. Results show that the noise magnitude is decreased both by reduction of domain size and the spectral nudging. However, the reduction of domain size alters some sensitivity signals. When spectral nudging is used significant alterations of the signal are not found. (orig.)

  8. Synthesis and spectral characterization of 2,2-diphenylethyl glucosinolate and HPLC-based reaction progress curve data for the enzymatic hydrolysis of glucosinolates by Sinapis alba myrosinase

    Directory of Open Access Journals (Sweden)

    Chase A. Klingaman

    2017-02-01

    Full Text Available The data presented in this article are related to the research article, “HPLC-based enzyme kinetics assay for glucosinolate hydrolysis facilitate analysis of systems with both multiple reaction products and thermal enzyme denaturation” (C.K. Klingaman, M.J. Wagner, J.R. Brown, J.B. Klecker, E.H. Pauley, C.J. Noldner, J.R. Mays, [1]. This data article describes (1 the synthesis and spectral characterization data of a non-natural glucosinolate analogue, 2,2-diphenylethyl glucosinolate, (2 HPLC standardization data for glucosinolate, isothiocyanate, nitrile, and amine analytes, (3 reaction progress curve data for enzymatic hydrolysis reactions with variable substrate concentration, enzyme concentration, buffer pH, and temperature, and (4 normalized initial velocities of hydrolysis/formation for analytes. These data provide a comprehensive description of the enzyme-catalyzed hydrolysis of 2,2-diphenylethyl glucosinolate (5 and glucotropaeolin (6 under widely varied conditions.

  9. Solid-phase synthesis and spectral properties of 2-alkylthio-6H-pyrano[2,3-f]benzimidazole-6-ones: a combinatorial approach for 2-alkylthioimidazocoumarins.

    Science.gov (United States)

    Song, Aimin; Zhang, Jinhua; Lebrilla, Carlito B; Lam, Kit S

    2004-01-01

    The solid-phase synthesis of 2-alkylthio-6H-pyrano[2,3-f]benzimidazole-6-ones (2-alkylthioimidazocoumarins) is described. 7-Fluoro-4-methyl-6-nitro-2-oxo-2H-1-benzopyran-3-carboxylic acid was coupled to Rink amide resin via its carboxyl group. The resin-bound scaffold then underwent aromatic nucleophilic substitution with primary amines, followed by reduction of the nitro group with tin (II) chloride. Subsequent cyclization of the o-dianilino intermediates with thiocarbonyldiimidazole (TCD) afforded resin-bound 1,3-dihydro-2-thioxo-6H-pyrano[2,3-f]benzimidazole-6-ones, which were then S-alkylated with alkyl halides in the presence of N,N-diisopropylethylamine (DIEA). The desired products were obtained in good yield with high purity after trifluoroacetic acid cleavage. The unique spectral properties of 2-alkylthioimidazocoumarins indicate that they may be useful in photodynamic therapy.

  10. New Solar Soft X-Ray (SXR) Spectral Irradiance Measurements Bridge the SDO and RHESSI Spectral Gap to Study Flare Energetics

    Science.gov (United States)

    Woods, T. N.; Jones, A.; Mason, J.; Moore, C.; Eparvier, F.; Caspi, A.; Chamberlin, P.

    2016-10-01

    -based communication and navigation systems. This presentation will focus on how these new solar SXR spectral measurements can enhance the SDO studies of eruptive flares.

  11. Synthesis, structure and low temperature study of electric transport ...

    Indian Academy of Sciences (India)

    Synthesis, structure and low temperature study of electric transport and magnetic properties of GdSr2MnCrO7. Devinder ... Keywords. Chemical synthesis; X-ray diffraction; electrical properties; magnetic properties. Abstract. The layered perovskite oxide, GdSr2MnCrO7, has been prepared by the standard ceramic method.

  12. Iron and nickel complexes with heterocyclic ligands: stability, synthesis, spectral characterization, antimicrobial activity, acute and subacute toxicity.

    Science.gov (United States)

    Bouchoucha, Afaf; Terbouche, Achour; Zaouani, Mohamed; Derridj, Fazia; Djebbar, Safia

    2013-07-01

    The synthesis and characterization by elemental analysis, emission atomic spectroscopy, TG measurements, magnetic measurements, FTIR, (1)H NMR, UV-visible spectra and conductivity of a series of iron (II) and nickel (II) complexes with two heterocyclic ligands (L(1)(SMX): sulfamethoxazole and L(2)(MIZ): metronidazole) used in pharmaceutical field and with a new ligand derived benzoxazole (L(3)(MPBO): 2-(5-methylpyridine-2-yl)benzoxazole), were reported. The formulae obtained for the complexes are: [M(L(1))2 Cl2]·nH2O, [M(L(2))2Cl2(H2O)2]·H2O and [M(L(3))2(OH)2]·nH2O. Stability constants of these complexes have been determined by potentiometric methods in water-ethanol (90:10, v/v) mixture at a 0.2 mol L(-1) ionic strength (NaCl) and at 25.0±0.1 °C. Sirko program was used to determine the protonation constants as well as the binding constants of three species [ML2H2](2+), [ML2] and [ML](2+). The antimicrobial activity of the ligands and complexes was evaluated in vitro against different human bacteria and fungi using agar diffusion method. Iron sulfamethoxazole complex showed a remarkable inhibition of bacteria growth especially on Staphylococcus aureus and P. aeruginosa. The iron metronidazole complex is active against yeasts especially on Candida tropicalis strain. Nickel complexes presented different antibacterial and antifungal behavior's against bacteria and fungal. The acute toxicity study revealed that the iron complexes are not toxic at 2000 mg/kg dose orally administrated. LD50 for nickel complexes was determined using graphical method. No significant differences in the body weights between the control and the treated groups of both rat sexes in subacute toxicity study using for iron complexes. Hematological and clinical blood chemistry analysis revealed no toxicity effects of the iron complexes. Pathologically, neither gross abnormalities nor histopathological changes were observed for these complexes. Copyright © 2013 Elsevier GmbH. All rights

  13. Pyroshock Acceleration Field Reconstruction in Temporal and Spectral Domains Based on Laser Shock Scanning and Iterative Decomposition and Synthesis Considering Stop Band Effects

    Directory of Open Access Journals (Sweden)

    Yong-Woon Kim

    2017-01-01

    Full Text Available Pyrotechnic devices are used to separate substructures from main structures. Pyroshock can cause failure in electronic components that are sensitive to high frequency shock. Most of the existing methods to analyze pyroshock have limitations for high frequency simulations and are only available for simulation of point explosive-induced pyroshock. To solve the problem of existing methods, we developed a laser shock-based pyroshock reconstruction algorithm covering high frequency range that can predict linear explosive-induced pyroshock, as well as point explosive-induced ones. The developed algorithm reconstructs pyroshock from laser shock test in both temporal and spectral domains using an iterative signal decomposition and synthesis method. In the signal decomposition and synthesis process, unremoved signals in the stopbands occurred and were compensated by iteration to improve the results. At the end of this paper, various types of pyroshock were processed through the proposed method. Pyroshock wave propagation images and shock response spectrum images were presented as a result. To verify the algorithm, we compared the obtained result with a real pyroshock. The time domain signal was reconstructed with an averaged peak to peak acceleration difference of 20.21%, and the shock response spectrum was reconstructed with an average mean acceleration difference of 25.86%.

  14. Comparative Study Between Support Vector Machines And Neural Networks For Lithological Discrimination Using Hyper spectral Data

    International Nuclear Information System (INIS)

    Naguib, A.M.; Abd Elwahab, M.S.; Farag, M.A.; Yahia, M.A.; Ramadan, H.H.

    2009-01-01

    Remote sensing hyper spectral data has many applications especially in the field of , earth science. Utilization of this technology has shown a rapid increase in many areas of economic and scientific significance. Hyper spectral sensors capture the detailed spectral signatures that uniquely characterize a great number of diverse surface materials. Classification, clustering, and visualization of these very high dimensional signatures need untraditional methods. Different approaches for spectral image interpretation have been studied using Artificial Neural Networks (ANNs) and Support Vector Machines (SVM) to meet the challenge of high dimensionality. The study used SVMs for geological mapping of hyper spectral imagery at Abu Zenima area, western Sinai, Egypt, the hyper spectral data has been captured in 2003 by Hyperion instrument on the United States Geological survey (USGS) Earth Observing 1 (EO-I) satellite. Precisely the study compares between the use of SVMs and a neural network built on the concept of SVMs, this network uses the Kernel-Adatron algorithm with the Gaussian kernel for the process of training. The SVMs also uses the Gaussian kernel with different bandwidths to enhance the performance of the interpretation process; the results are compared in details. The Neural Network was trained with four data sets, the first consists of 11310 samples, gives recognition rate of 84%, the second has 22620 samples, recognition rate was 91.5%; the third has 33930 samples, recognition rate was 94.6%; finally the fourth has 45240 samples, recognition rate of 99.2%. The previous results fall in comparison with the results of SVMs which use two algorithms for training the first is the one against one algorithm which gave a recognition rate of 84% for the first data set, a recognition rate of 76.9% for the second data set, a recognition rate of 95.2% for the third one and 98.5% for the fourth one. and the other is one against many algorithms which gave a recognition

  15. Experimental study and numerical simulations of the spectral properties of XUV lasers pumped by collisional excitation

    International Nuclear Information System (INIS)

    Meng, L.

    2012-01-01

    -like Ar and quasi-steady state pumping in Ne-like Zn. Besides the accurate measurement of the temporal coherence of the laser in each case, we have studied the spectral behaviour when the laser is operated in the saturation regime and (in Ni-like Mo) when it is seeded with high-order harmonic radiation. We have also investigated the temporal behaviour of the Ni-like Mo transient XUV laser, using an ultrafast X-ray streak camera. Our linewidth measurements are compared with detailed numerical calculations including relevant broadening mechanisms as well as radiative transfer effects. The evolution of the spectral profile with amplification and saturation was studied for different plasma parameters, and corresponding Fourier-transform limit duration were evaluated.The shortest temporal coherence (i.e. the largest bandwidth) is measured for the quasi-steady state pumping XUV laser, which operates at the highest density and ionic temperature. (author)

  16. Synthesis and electrochemical studies of phenylazo substituted ...

    Indian Academy of Sciences (India)

    Unknown

    The controlled potential electrolysis was carried out at –0⋅63 V for the nitro compound. After sometime, the samples of the cathodic solution were removed, diluted to a fixed volume with DMF and spectral examinations were made. It was found that there is a decrease in the peak at 518 nm due to the dye, with increasing ...

  17. Synthesis, characterization and photophysical studies of ...

    Indian Academy of Sciences (India)

    These novel zinc(II) porphyrin-benzo--pyrone dyads successfully underwent demetallation in the presence of concentrated hydrochloric acid in chloroform at 25°C to form the corresponding free-base porphyrin analogues in good yields. The newly synthesized products were characterized on the basis of spectral data and ...

  18. synthesis, characterization, antibacterial and antifungal studies

    African Journals Online (AJOL)

    Preferred Customer

    Ce(III) ions. The IR spectral data reveal that the ligand behaves as bidentate with ON donor atom sequence towards central metal ion. The molar conductance values of metal ... and kinetic parameters calculated by Coats-Redfern method are suggestive of more ordered activated state in ..... concentration of metal complex.

  19. Synthesis, Characterization and Antimicrobial Studies of Some ...

    African Journals Online (AJOL)

    NICO

    1,3,5-thiadiazolium-2-thiolate 6(a–j) were prepared via a five step procedure from the starting material 1,3,5-triazine (1). Structures of all synthesized compounds were confirmed by spectral data and elemental analyses. Newly synthesized ...

  20. Colour and spectral simulation of textile samples onto paper: a feasibility study

    OpenAIRE

    Slavuj, Radovan; Marijanovic, Kristina; Hardeberg, Jon Yngve

    2014-01-01

    This is an Open Access article. This is the publisher’s PDF originally published in Journal of the International Colour Association: http://aic-colour-journal.org/index.php/JAIC/article/view/148 This study has investigated how the growing technology of multichannel printing and the area of spectral printing in the graphic arts could help the textile industry to communicate accurate colour. In order to reduce the cost, printed samples that serve for colour judgment and decision making...

  1. Synthesis, spectral characterization, computational calculations and biological activity of complexes designed from NNO donor Schiff-base ligand

    Science.gov (United States)

    El-Gammal, Ola A.; El-Reash, G. M. Abu; Yousef, T. A.; Mefreh, M.

    2015-07-01

    A new series of Co(II), Ni(II) and Cu(II) complexes of (Z)-2-oxo-2-(phenylamino)-N‧-(1-(pyridin-2-yl)ethylidene)acetohydrazide (H2OPPAH) have been prepared and characterized by conventional techniques. The spectral data indicated that the ligand acts as neutral or mononegative NNO tridentate. On the basis of magnetic and electronic spectral data an octahedral geometry for Ni(II) and Cu(II) complexes and a tetrahedral geometry for Co(II) complex have been proposed. The molecular modeling using DFT method are drawn showing the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all title compounds. The Kinetic parameters were determined for each thermal degradation stages of the ligand and its complexes using Coats-Redfern and Horowitz-Metzger methods. Also, the compounds were screened for antioxidant activity using ABTS free radical, anti-hemolytic, and in vitro cytotoxic assay. H2OPPAH showed the potent antioxidant activity followed by Co(II) and Cu(II) complexes. On the other hand Ni(II) complex exhibited weak antioxidant activity using ABTS free radical and Erlich and strong erythrocyte hemolysis activity.

  2. Parallel Programming Application to Matrix Algebra in the Spectral Method for Control Systems Analysis, Synthesis and Identification

    Directory of Open Access Journals (Sweden)

    V. Yu. Kleshnin

    2016-01-01

    Full Text Available The article describes the matrix algebra libraries based on the modern technologies of parallel programming for the Spectrum software, which can use a spectral method (in the spectral form of mathematical description to analyse, synthesise and identify deterministic and stochastic dynamical systems. The developed matrix algebra libraries use the following technologies for the GPUs: OmniThreadLibrary, OpenMP, Intel Threading Building Blocks, Intel Cilk Plus for CPUs nVidia CUDA, OpenCL, and Microsoft Accelerated Massive Parallelism.The developed libraries support matrices with real elements (single and double precision. The matrix dimensions are limited by 32-bit or 64-bit memory model and computer configuration. These libraries are general-purpose and can be used not only for the Spectrum software. They can also find application in the other projects where there is a need to perform operations with large matrices.The article provides a comparative analysis of the libraries developed for various matrix operations (addition, subtraction, scalar multiplication, multiplication, powers of matrices, tensor multiplication, transpose, inverse matrix, finding a solution of the system of linear equations through the numerical experiments using different CPU and GPU. The article contains sample programs and performance test results for matrix multiplication, which requires most of all computational resources in regard to the other operations.

  3. Synthesis, crystal structure analysis, spectral (NMR, FT-IR, FT-Raman and UV-Vis) investigations, molecular docking studies, antimicrobial studies and quantum chemical calculations of a novel 4-chloro-8-methoxyquinoline-2(1H)-one: An effective antimicrobial agent and an inhibition of DNA gyrase and lanosterol-14α-demethylase enzymes

    Science.gov (United States)

    Murugavel, S.; Sundramoorthy, S.; Lakshmanan, D.; Subashini, R.; Pavan Kumar, P.

    2017-03-01

    The novel title compound 4-chloro-8-methoxyquinoline-2(1H)-one (4CMOQ) has been synthesized by slow evaporation solution growth technique at room temperature. The synthesized 4CMOQ molecule was characterized experimentally by FT-IR, FT-Raman, UV-Vis, NMR and single crystal diffraction (XRD) and theoretically by quantum chemical calculations. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311++G (d,p) basis set in ground state and compared with the experimental data. The entire vibrational assignments of wave numbers were made on the basis of potential energy distribution (PED) by VEDA 4 programme. The nuclear magnetic resonance spectra (1H and 13C NMR) are obtained by using the gauge-invariant atomic orbital (GIAO) method. The change in electron density (ED) in the antibonding orbital's and stabilization energies E(2) of the molecule have been evaluated by natural bond orbital (NBO) analysis to give clear evidence of stabilization. Moreover, electronic characteristics such as HOMO and LUMO energies, Mulliken atomic charges and molecular electrostatic potential surface are investigated. Absorption spectrum analysis, nonlinear optical properties, chemical reactivity descriptors and thermodynamic features are also outlined theoretically. Molecular docking studies were executed to understand the inhibitory activity of 4CMOQ against DNA gyrase and Lanosterol 14 α-demethylase. The antimicrobial activity of 4CMOQ was determined against bacterial strains such as Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and fungal strains such as Aspergillus niger, Monascus purpureus and Penicillium citrinum. The obtained results show that the compound exhibited good to moderate antimicrobial activity.

  4. Synthesis, characterization and biological studies of substituted quinozoline-4-(3H)-ones containing diazepine moiety.

    Science.gov (United States)

    Narayana Rao, D V; Raghavendra Guru Prasad, A; Spoorthy, Y N; Pariplavi, M; Ravindranath, L K

    2014-01-01

    The synthesis and characterization of new series of 1,4-benzodiazepine derivatives have been presented. The structures were confirmed by elemental analyses, IR spectral, (1)H NMR spectral and mass spectral data. All the compounds were screened for in vitro antimicrobial and anthelmintic activities. The antibacterial activity was tested against Staphylococcus aureus (Gram positive), Bacillus cereus (Gram positive), Escherichia coli (Gram negative) and Pseudomonas aeruginosa (Gram negative). The antifungal activity was tested against Aspergillus niger and Candida albicans. All the compounds showed considerable antimicrobial activity against the microorganism studied. The significant anthelmintic activity of all novel compounds was demonstrated against Pheretima posthuma. Based on the nature of substituent present, the structure-activity correlation of novel compounds was discussed. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  5. Growth, spectral, dielectric and antimicrobial studies on 4-piperidinium carboxylamide picrate crystals

    Science.gov (United States)

    Dhanabal, T.; Tharanitharan, V.; Amirthaganesan, G.; Dhandapani, M.

    2014-07-01

    Single crystal of 4-piperidinium carboxylamide picrate was grown by slow evaporation solution growth technique at ambient temperature. The average dimensions of grown crystal were 0.7 × 0.3 × 0.2 cm3. The solubility of the compound was analyzed using methanol and acetone. Optical property of the compound was ascertained by UV-visible absorption spectral study. The sharp and well defined Bragg peaks observed in the powder X-ray diffraction pattern confirm its crystallinity. The different kinds of protons and carbons in the compound were confirmed by 1H and 13C NMR spectral analyses. The presence of various functional groups in the compound was assigned through polarized Raman spectral study. The mechanical property of the crystal was measured by Vicker's microhardness test and the compound was found to be soft material. The dielectric constant and dielectric loss of the crystal decrease with increase in frequency. The antibacterial and antifungal activities of the crystal were studied by disc diffusion method and found that the compound shows good inhibition efficiency against various bacteria and fungi species.

  6. Temporal and spectral studies of high-order harmonics generated by polarization-modulated infrared fields

    International Nuclear Information System (INIS)

    Sola, I. J.; Zaier, A.; Cormier, E.; Mevel, E.; Constant, E.; Lopez-Martens, R.; Johnsson, P.; Varju, K.; Mauritsson, J.; L'Huillier, A.; Strelkov, V.

    2006-01-01

    The temporal confinement of high harmonic generation (HHG) via modulation of the polarization of the fundamental pulse is studied in both temporal and spectral domains. In the temporal domain, a collinear cross-correlation setup using a 40 fs IR pump for the HHG and a 9 fs IR pulse to probe the generated emission is used to measure the XUV pulse duration. The observed temporal confinement is found to be consistent with theoretical predictions. An increased confinement is observed when a 9 fs pulse is used to generate the harmonics. An important spectral broadening, including a continuum background, is also measured. Theoretical calculations show that with 10 fs driving pulses, either one or two main attosecond pulses are created depending on the value of the carrier envelope phase

  7. A spatially resolved radio spectral index study of the dwarf irregular galaxy NGC 1569

    Science.gov (United States)

    Westcott, Jonathan; Brinks, Elias; Hindson, Luke; Beswick, Robert; Heesen, Volker

    2018-04-01

    We study the resolved radio continuum spectral energy distribution of the dwarf irregular galaxy, NGC 1569, on a beam-by-beam basis to isolate and study its spatially resolved radio emission characteristics. Utilizing high-quality NRAO Karl G. Jansky Very Large Array observations that densely sample the 1-34 GHz frequency range, we adopt a Bayesian fitting procedure, where we use H α emission that has not been corrected for extinction as a prior, to produce maps of how the separated thermal emission, non-thermal emission, and non-thermal spectral index vary across NGC 1569's main disc. We find a higher thermal fraction at 1 GHz than is found in spiral galaxies (26^{+2}_{-3} {per cent}) and find an average non-thermal spectral index α = -0.53 ± 0.02, suggesting that a young population of cosmic ray electrons is responsible for the observed non-thermal emission. By comparing our recovered map of the thermal radio emission with literature H α maps, we estimate the total reddening along the line of sight to NGC 1569 to be E(B - V) = 0.49 ± 0.05, which is in good agreement with other literature measurements. Spatial variations in the reddening indicate that a significant portion of the total reddening is due to internal extinction within NGC 1569.

  8. A Moessbauer Spectral Study of the Hull Steel and Rusticles Recovered from the Titanic

    Energy Technology Data Exchange (ETDEWEB)

    Long, Gary J., E-mail: glong@umr.edu; Hautot, Dimitri [University of Missouri-Rolla, Department of Chemistry (United States); Grandjean, Fernande; Vandormael, D. [University of Liege, Institute of Physics, B5 (Belgium); Leighly, H. P. [University of Missouri-Rolla, Department of Metallurgical Engineering (United States)

    2004-09-15

    The recent recovery of steel from the Titanic has permitted a 295 K conversion electron Moessbauer spectral study of the Titanic hull plate steel oriented with the gamma-ray direction either perpendicular or parallel to the microstructural banding directions. The two spectra reveal virtually identical average orientations of the magnetization close to the plane of the plate. The hyperfine parameters are virtually identical to those of {alpha}-iron, a finding which agrees with the chemical analysis which reveals at most 0.21 wt% carbon corresponding to 3 wt% of cementite in pearlite. A 4.2 to 295 K transmission Moessbauer spectral study of the rusticles reveals small particles of geothite undergoing superparamagnetic relaxation with a blocking temperature of ca. 300 K. In addition approximately two percent of the Moessbauer spectral absorption area corresponds to a quadrupole doublet with hyperfine parameters typical of green rust. The identified iron containing components in therusticles agree with the powder X-ray diffraction results which reveal the predominant presence of small particles of poorly crystallized goethite and traces of quartz and green rust. An average size of 20{+-}5 nm for the goethite particles is obtained from both the average hyperfine field and the broadening of the X-ray diffraction peaks. The magnetic anisotropy constant of the goethite particles deduced from the hyperfine field and the particle size is 8x10{sup 3} J/m{sup 3}.

  9. SYNTHESIS AND IN-VITRO STUDIES OF SOME NEW QUINOLINE ...

    African Journals Online (AJOL)

    mail: viswanath_fed@kluniversity.in. This work is licensed under the Creative Commons Attribution 4.0 International License. SYNTHESIS AND IN-VITRO STUDIES OF SOME NEW QUINOLINE 1,3,4-. THIADIAZOLO PYRIMIDIN DERIVATIVES.

  10. Combustion synthesis and photoluminescence study of silicate ...

    Indian Academy of Sciences (India)

    Eu2+. Keywords. Biomaterials; silicates; akermanite; combustion synthesis; photoluminescence. 1. Introduction. It is essential to develop biocompatible, bioactive, biore- sorbable and durable materials for orthopaedic and dental implants, that are capable of bearing high stress and loads, and that invoke positive cellular and ...

  11. Synthesis and spectral characterization of 2'-hydroxy chalconate complexes of ruthenium(II) and their catalytic and biological applications

    Science.gov (United States)

    Muthukumar, M.; Viswanathamurthi, P.; Natarajan, K.

    2008-10-01

    The reactions of [RuHCl(CO)(B)(EPh 3) 2] (B = EPh 3 or pyridine; E = P or As) and 2'-hydroxychalcones in 1:2 ratio led to the formation of [Ru(CO)(B)(L) 2] (B = PPh 3, AsPh 3 or Py; L = 2'-hydroxychalcones). The new complexes have been characterized by analytical and spectral (IR, electronic and 1H NMR) data. They have been assigned an octahedral structure. The new complexes were found to catalyze the oxidation of alcohols to aldehydes using N-methylmorpholine- N-oxide as co-oxidant. All the new complexes were found to be active against bacteria such as E. coli, Salmonella typhi and fungi Aspergillus niger. The activity was compared with standard Streptomycin or Bavistin.

  12. Sensitivity to auditory spectral width in the fetus and infant - a fMEG study

    Directory of Open Access Journals (Sweden)

    Jana eMuenssinger

    2013-12-01

    Full Text Available Auditory change detection is crucial for the development of the auditory system and a prerequisite for language development. In neonates, stimuli with broad spectral width like white noise elicit the highest response compared to pure tone and combined tone stimuli. In the current study we addressed for the first time the question how fetuses react to white noise-(WN stimulation. Twenty-five fetuses (Mage = 34.59 weeks GA, SD ± 2.35 and 28 healthy neonates and infants (Mage = 37.18 days, SD ± 15.52 were tested with the 1st paradigm, wherein 500Hz tones, 750Hz tones and WN segments were randomly presented and auditory evoked responses (AERs were measured using fetal magnetoencephalography (fMEG. In the 2nd paradigm, 10 fetuses (Mage = 25.7 weeks GA, SD ± 2.4 and 6 healthy neonates (Mage = 23 days and SD ± 6.2 were presented with two auditory oddball conditions: Condition 1 consisted of attenuated WN as standard and 500Hz tones and WN as deviants. In condition 2, standard 500Hz tones were intermixed with WN and attenuated WN. AERs to volume change and change in spectral width were evaluated.In both paradigms, significantly higher AER amplitudes to WN than to pure tones replicated prior findings in neonates and infants. In fetuses, no significant differences were found between the auditory evoked response amplitudes of WN segments and pure tones (both paradigms. A trend towards significance was reached when comparing the auditory evoked response amplitudes elicited by attenuated WN with those elicited by WN (loudness change, 2nd paradigm.As expected, we observed high sensibility to spectral width in newborns and infants. However, in the group of fetuses, no sensibility to spectral width was observed. This negative finding may be caused by different attenuation levels of the maternal tissue for different frequency components.

  13. Low-Dose Characterization of Kidney Stones Using Spectral Detector Computed Tomography: An Ex Vivo Study.

    Science.gov (United States)

    Große Hokamp, Nils; Salem, Johannes; Hesse, Albrecht; Holz, Jasmin Alexandra; Ritter, Manuel; Heidenreich, Axel; Maintz, David; Haneder, Stefan

    2018-03-28

    The aim of this study was to investigate the feasibility of kidney stone composition analysis using spectral detector computed tomography scanner (SDCT) with normal- and low-dose imaging protocols. A total of 154 stones harvested from nephrolithotripsy or nephrolithotomy with a known monocrystalline composition as determined by infrared spectroscopy were examined in a nonanthropomorphic phantom on an SDCT (IQon, Philips, Best, the Netherlands). Imaging was performed with 120 kVp and (a) 40 mAs and (b) 200 mAs, resulting in a computed tomography dose index (CTDIvol) of 2 and 10 mGy, respectively. Besides conventional CT images (CIs), SDCT enables reconstruction of virtual monoenergetic images (40-200 keV). Spectral coefficient images were calculated by performing a voxel-by-voxel combination of 40 and 200 keV images (Matlab R2017b, Mathworks Inc). All stones were semiautomatically 3D-segmented on CI using a threshold-based algorithm implemented in an offline DICOM viewer. Statistical assessment was performed using Steel-Dwass method to adjust for multiple comparisons. Ca-phosphate (n = 22), Ca-oxalate (n = 82), cysteine (n = 20), struvite (n = 3), uric acid (n = 18), and xanthine stones (n = 9) were included in the analysis. Stone diameter ranged from 3.0 to 13.5 mm. On CI, attenuation differed significantly between calcific and noncalcific stones only (P ≤ 0.05), the spectral coefficient differed significantly between (//): Ca-oxalate//Ca-phosphate//cystine//struvite//uric acid//xanthine in 10 mGy protocol (all P ≤ 0.05). The same results were found for the 2 mGy-protocol, except that differentiation of Ca-oxalate and Ca-phosphate as well as uric acid and xanthine was not possible (P ≥ 0.05). Spectral detector CT allows for differentiation of kidney stones using semi-automatic segmentation and advanced image post-processing, even in low-dose imaging protocols.

  14. IASI spectral radiance validation inter-comparisons: case study assessment from the JAIVEx field campaign

    Directory of Open Access Journals (Sweden)

    A. M. Larar

    2010-01-01

    Full Text Available Advanced satellite sensors are tasked with improving global-scale measurements of the Earth's atmosphere, clouds, and surface to enable enhancements in weather prediction, climate monitoring, and environmental change detection. Measurement system validation is crucial to achieving this goal and maximizing research and operational utility of resultant data. Field campaigns employing satellite under-flights with well-calibrated Fourier Transform Spectrometer (FTS sensors aboard high-altitude aircraft are an essential part of this validation task. The National Polar-orbiting Operational Environmental Satellite System (NPOESS Airborne Sounder Testbed-Interferometer (NAST-I has been a fundamental contributor in this area by providing coincident high spectral and spatial resolution observations of infrared spectral radiances along with independently-retrieved geophysical products for comparison with like products from satellite sensors being validated. This manuscript focuses on validating infrared spectral radiance from the Infrared Atmospheric Sounding Interferometer (IASI through a case study analysis using data obtained during the recent Joint Airborne IASI Validation Experiment (JAIVEx field campaign. Emphasis is placed upon the benefits achievable from employing airborne interferometers such as the NAST-I since, in addition to IASI radiance calibration performance assessments, cross-validation with other advanced sounders such as the AQUA Atmospheric InfraRed Sounder (AIRS is enabled.

  15. Heuristic Synthesis of Reversible Logic – A Comparative Study

    Directory of Open Access Journals (Sweden)

    Chua Shin Cheng

    2014-01-01

    Full Text Available Reversible logic circuits have been historically motivated by theoretical research in low-power, and recently attracted interest as components of the quantum algorithm, optical computing and nanotechnology. However due to the intrinsic property of reversible logic, traditional irreversible logic design and synthesis methods cannot be carried out. Thus a new set of algorithms are developed correctly to synthesize reversible logic circuit. This paper presents a comprehensive literature review with comparative study on heuristic based reversible logic synthesis. It reviews a range of heuristic based reversible logic synthesis techniques reported by researchers (BDD-based, cycle-based, search-based, non-search-based, rule-based, transformation-based, and ESOP-based. All techniques are described in detail and summarized in a table based on their features, limitation, library used and their consideration metric. Benchmark comparison of gate count and quantum cost are analysed for each synthesis technique. Comparing the synthesis algorithm outputs over the years, it can be observed that different approach has been used for the synthesis of reversible circuit. However, the improvements are not significant. Quantum cost and gate count has improved over the years, but arguments and debates are still on certain issues such as the issue of garbage outputs that remain the same. This paper provides the information of all heuristic based synthesis of reversible logic method proposed over the years. All techniques are explained in detail and thus informative for new reversible logic researchers and bridging the knowledge gap in this area.

  16. Power spectral analysis of heart rate variability in cynomolgus monkeys in safety pharmacology studies: comparative study with beagle dogs.

    Science.gov (United States)

    Champeroux, Pascal; Martel, Eric; Jude, Sebastien; Laigot, Christine; Laveissière, Arnaud; Weyn-Marotte, Andrée-Anne; Fowler, John Sinclair Lawrence; Maurin, Anne; Richard, Serge; Babuty, Dominique

    2013-01-01

    Power spectral analysis of heart rate variability is a tool known to provide information of interest on the autonomic control of heart rate in human. However, its use and its conditions of application and interpretation for safety purposes are not well defined for cardiovascular safety pharmacology studies. Likewise, data of power spectral analysis of heart rate variability in cynomolgus monkeys, a species often appropriate for use as second non rodent species in preclinical safety programmes, are not available. This study was designed to evaluate the relevance of this biomarker in this non human primate species, and to compare results with those from beagle dogs under the conditions of safety evaluation studies. Power spectral analysis of heart rate variability was performed on data collected in both species by telemetry following a standard design for cardiovascular safety pharmacology studies. Various pharmacological agents were tested in order to compare the profile of responses in both species after modifying the autonomic nervous balance. Heart rate variability in cynomolgus monkeys is mainly driven by the parasympathetic nervous system as in beagle dogs although vagal tone is less than in dogs. Power spectral analysis of heart rate variability allows detection of interaction with the autonomic nervous system in both species in all investigated situations, i.e. sympatholytic/sympathomimetic and parasympatholytic/parasympathomimetic drug induced effects. However, due to species difference in the autonomic control of heart rate, cynomolgus monkeys are likely to be more sensitive than beagle dogs for assessment of sympatholytic properties. This study confirms that power spectral analysis of heart rate variability from data derived from ECG recordings in telemetry studies is applicable in cardiovascular safety pharmacology studies and may provide relevant information about possible interaction with the autonomic nervous system when new drug entities are evaluated

  17. Studies Toward the Total Synthesis of Eletefine

    Science.gov (United States)

    Rugg, Kyle William

    Eletefine is a natural product of the stephaoxocane family of alkaloids. It possesses an isoquinoline moiety functionalized with three methoxy groups forming an electron rich aromatic system. Eletefine also possesses a ten-membered ring with a novel bridged vinyl ether functionality, and a remote chiral alcohol, making it a conspicuous and desirable target for the synthetic organic chemist. The plant from which eletefine was first isolated (Cissampelos glaberrima ) has been used in traditional medicine for the relief of symptoms from urinary tract infections and asthma. The proposed synthesis of eletefine is a convergent route which features a Sonogashira coupling and a novel alkyne hydration. Herein, methods towards the synthesis of the model system des-hydroxyeletefine are described, in particular attempts towards formation of the AB ring system of des-hydroxyeletefine, as well as C8-C9 bond formation methodology via acylation and Sonogashira coupling.

  18. Growth, morphology, spectral and thermal studies of gel grown diclofenac acid crystals

    Science.gov (United States)

    Ramachandran, E.; Ramukutty, S.

    2014-03-01

    The crystal growth of diclofenac acid in silica gel is the first to be reported in literature. The growth parameters were varied to optimize the suitable growth condition. Single crystal X-ray diffraction method was used for the conformation of the crystal structure. Morphology studies showed that the growth is prominent along the b-axis and the prominent face is {002}. Fourier transform infrared spectral study was performed to identify the functional groups present in the crystal. Thermal stability and decomposition of the material were analyzed using thermo calorimetry in the temperature range 30-500 °C.

  19. Unmixing of spectrally similar minerals

    CSIR Research Space (South Africa)

    Debba, Pravesh

    2009-01-01

    Full Text Available techniques is complicated when considering very similar spectral signatures. Iron-bearing oxide/hydroxide/sulfate minerals have similar spectral signatures. The study focuses on how could estimates of abundances of spectrally similar iron-bearing oxide...

  20. Study of the spectral characteristics of unidentified galactic EGRET sources. Are they pulsar-like?

    Science.gov (United States)

    Merck, M.; Bertsch, D. L.; Dingus, B. L.; Esposito, J. A.; Fichtel, C. E.; Fierro, J. M.; Hartman, R. C.; Hunter, S. D.; Kanbach, G.; Kniffen, D. A.; Lin, Y. C.; Mayer-Hasselwander, H. A.; Michelson, P. F.; von Montigny, C.; Muecke, A.; Mukherjee, R.; Nolan, P. L.; Pohl, M.; Schneid, E.; Sreekumar, P.; Thompson, D. J.; Willis, T. D.

    1996-12-01

    A spectral study of unidentified galactic EGRET sources was performed. The derived spectra are compared to the spectra of pulsars to test the hypothesis, that a significant fraction of these sources are Geminga like radio-quiet pulsars (Yadigaroglu & Romani 1995ApJ...449..211Y). Most of the sources show significantly different spectra than expected under this hypothesis. Of those with spectra consistent with typical pulsar spectra, four are positionally consistent with young spin-powered radio pulsars leaving only very few Geminga type candidates in the sample.

  1. Batse/Sax and Batse/RXTE-ASM Joint Spectral Studies of GRBs

    Science.gov (United States)

    Paciesas, William S.

    2002-01-01

    We proposed to make joint spectral analysis of gamma-ray bursts (GRBs) in the BATSE data base that are located within the fields of view of either the BeppoSAX wide field cameras (WFCs) or the RXTE all-sky monitor (ASM). The very broad-band coverage obtained in this way would facilitate various studies of GRB spectra that are difficult to perform with BATSE data alone. Unfortunately, the termination of the CGRO mission in June 2000 was not anticipated at the time of the proposal, and the sample of common events turned out to be smaller than we would have liked.

  2. Remote sensing study of the influence of herbicides on the spectral reflectance of pea plant leaves (Pisum sativum L.)

    Science.gov (United States)

    Krezhova, D.; Alexieva, V.; Yanev, T.; Ivanov, S.

    Results from a remote sensing study of spectral reflectance of leaves of pea plants Pisum sativum L treated by the herbicides atrazine 2 4-D glyphosate fluridone and chlorsulfuron are reported According to the classification of the Herbicide Action Committee reflecting their mode of action they belong to different groups photosystem II bloker - C1 atrazine synthetic auxins - O 2 4-D inhibition of EPSP synthase - G glyphosate photobleaching - F1 fluridone and inhibition of acetoctate synthase - B chlorsulfuron The plants studied were grown hydroponically in a growth chamber in a nutritious medium to which every herbicide was added at three low concentrations 1 mu M 0 1 mu M and 0 01 mu M with respect to the field dose applied in the agricultural practice The spectral measurements of the leaf spectral reflectance were carried out in laboratory using a multichannel spectrometer in the visible and near infrared regions of the spectrum 480 div 810 nm Data was registered in 128 channels at a high spectral resolution of 2 6 nm halfwidth and a spatial resolution of 2 mm 2 The reflectance spectra were obtained from the leaf-reflected radiation referenced against a standard white screen To assess the changes arising in the leaf spectral reflectance under the herbicide action the developed by us approach based on discriminant analysis and other statistical methods was applied The spectral reflectance characteristics SRC were investigated in three spectral intervals 520 div 580 nm region of maximal

  3. An X-ray spectral study of 24 type 1 active galactic nuclei

    Science.gov (United States)

    Reynolds, C. S.

    1997-04-01

    I present a study of the X-ray spectral properties of a sample containing 24 type 1 active galactic nuclei using the medium spectral resolution of ASCA. The sample consists of 20 radio-quiet objects (18 Seyfert 1 galaxies and two radio-quiet quasars) and four radio-loud objects (three broad-line radio galaxies and one radio-loud quasar). A simple power-law continuum absorbed by Galactic material provides a very poor description of the spectra of most objects. Deviations from the power-law form are interpreted in terms of X-ray reprocessing/absorption processes. In particular, at least half of the objects show K-shell absorption edges of warm oxygen (Ovii and Oviii) characteristic of optically thin, photoionized material along the line of sight to the central engine, the so-called warm absorber. The amount and presence of this absorption are found to depend on either the luminosity or radio properties of the objects: luminous and/or radio-loud objects are found to possess less ionized absorption. This ambiguity exists because the radio-loud objects are also amongst the most luminous of the sample. It is also found that objects with significant optical reddening display deep Ovii edges. The converse is true with two possible exceptions (NGC 3783 and NGC 3516). Coupled with other evidence resulting from detailed study of particular objects, this suggests the existence of dusty warm plasma. A radiatively driven outflow originating from the molecular torus is probably the source of this plasma. Rapid variability of the warm absorber also points to there being another component closer to the central source and probably situated within the broad-line region (BLR). Independent evidence for such an optically thin, highly ionized BLR component comes from detailed optical/UV studies. Spectral features at energies characteristic of cold iron Kalpha emission are common. Such emission is expected to arise from the fluorescence of cold iron in optically thick material when

  4. Study on the effects of sample selection on spectral reflectance reconstruction based on the algorithm of compressive sensing

    International Nuclear Information System (INIS)

    Zhang, Leihong; Liang, Dong

    2016-01-01

    In order to solve the problem that reconstruction efficiency and precision is not high, in this paper different samples are selected to reconstruct spectral reflectance, and a new kind of spectral reflectance reconstruction method based on the algorithm of compressive sensing is provided. Four different color numbers of matte color cards such as the ColorChecker Color Rendition Chart and Color Checker SG, the copperplate paper spot color card of Panton, and the Munsell colors card are chosen as training samples, the spectral image is reconstructed respectively by the algorithm of compressive sensing and pseudo-inverse and Wiener, and the results are compared. These methods of spectral reconstruction are evaluated by root mean square error and color difference accuracy. The experiments show that the cumulative contribution rate and color difference of the Munsell colors card are better than those of the other three numbers of color cards in the same conditions of reconstruction, and the accuracy of the spectral reconstruction will be affected by the training sample of different numbers of color cards. The key technology of reconstruction means that the uniformity and representation of the training sample selection has important significance upon reconstruction. In this paper, the influence of the sample selection on the spectral image reconstruction is studied. The precision of the spectral reconstruction based on the algorithm of compressive sensing is higher than that of the traditional algorithm of spectral reconstruction. By the MATLAB simulation results, it can be seen that the spectral reconstruction precision and efficiency are affected by the different color numbers of the training sample. (paper)

  5. Synthesis and spectroscopic study of nitroxide mono- and bi- radicals

    International Nuclear Information System (INIS)

    Michon, Pierre

    1970-01-01

    Synthesis and study of nitroxide mono- and bi- radicals derived from oxazolidine: - The first part is the synthesis of amines and radicals, and the I.R. U.V., E.P.R. spectroscopy study. - Conformational analysis of two biradicals has been carried out by measurement of dipolar interaction, on the E.P.R. spectra in the second part. - The final part is an application of N.M.R. study to the determination of the sign and magnitude of nuclear-electron spin-spin couplings and conformations analysis in five mono-radicals. (author) [fr

  6. Comparative studies on spectral properties of R-phycoerythrin from the red seaweeds from Qingdao

    Science.gov (United States)

    Pan, Zhongzheng; Zhou, Baicheng; Zeng, Chengkui

    1986-12-01

    The present paper reports on comparative studies of R-phycoerythrin (R-PE) from 30 species of the red seaweeds in Bangiophyceae and in Florideophyceae from Qingdao. The measured absorption spectra show that R-PE from these red seaweeds have two spectral types, namely type I having two absorption peaks and type II having three absorption peaks. 9 specise of a lower red seaweed belonging to Bangiophyceae are all type I R-PE. 3 species of a higher red seaweed belonging to Florideophyceae are also type I R-PE. The remaining 18 species are all type II R-PE. According to the distribution of two types of R-PE in red algae, an evolutionary trend from type I R-PE to type II R-PE, can be seen, but this evolutionary process is more complicated and without a definite line of demarcation between the two spectral types of R-PE. The occurrence of two types of R-PE in red algae is of taxonomic significance.

  7. Development of wideband spectral dispersers for exoplanetary science: comparative study of material, design, and fabrication

    Science.gov (United States)

    Enya, Keigo; Fujishiro, Naofumi

    2014-09-01

    We present the development of wideband spectral dispersers of which the primary scientific objective is the characterization of the atmospheres of exoplanets, including the challenge of detecting biomarkers. A disperser comprising a prism with a grating pattern on its surface provides simultaneous wideband coverage with low spectral resolution (R ≥ 300). The optics is simple, compact, and contains no moving parts. A comparative study of 21 materials for the disperser was carried out for use in the optical, near-infrared, and mid-infrared wavelength regions. KRS-5, CdZnTe, ZnS LiF, Sapphire, and S-TIH11 were selected, and designs of the optics for single-channel wideband spectrometers using the selected six materials were considered. Then, trial designs of the multi-channel spectrometers were carried out taking the properties of the detectors into consideration. The 3-channel design covers the wavelength region of ˜0.2-23 μm using a CCD detector, an InSb detector, and a Si:As detector. The 2-channel design covers ˜0.4-23 μm using a HgCdTe detector and a Si:As detector. A fabricated ZnS disperser is shown together with a CsI subprism which compensates for the optical axis. The application of defocusing, high dispersion spectroscopy, extension to the UV wavelength region, and the combination of the disperser with future space telescopes are discussed.

  8. Clinical study of noninvasive in vivo melanoma and nonmelanoma skin cancers using multimodal spectral diagnosis

    Science.gov (United States)

    Lim, Liang; Nichols, Brandon; Migden, Michael R.; Rajaram, Narasimhan; Reichenberg, Jason S.; Markey, Mia K.; Ross, Merrick I.; Tunnell, James W.

    2014-11-01

    The goal of this study was to determine the diagnostic capability of a multimodal spectral diagnosis (SD) for in vivo noninvasive disease diagnosis of melanoma and nonmelanoma skin cancers. We acquired reflectance, fluorescence, and Raman spectra from 137 lesions in 76 patients using custom-built optical fiber-based clinical systems. Biopsies of lesions were classified using standard histopathology as malignant melanoma (MM), nonmelanoma pigmented lesion (PL), basal cell carcinoma (BCC), actinic keratosis (AK), and squamous cell carcinoma (SCC). Spectral data were analyzed using principal component analysis. Using multiple diagnostically relevant principal components, we built leave-one-out logistic regression classifiers. Classification results were compared with histopathology of the lesion. Sensitivity/specificity for classifying MM versus PL (12 versus 17 lesions) was 100%;/100%;, for SCC and BCC versus AK (57 versus 14 lesions) was 95%;/71%, and for AK and SCC and BCC versus normal skin (71 versus 71 lesions) was 90%/85%. The best classification for nonmelanoma skin cancers required multiple modalities; however, the best melanoma classification occurred with Raman spectroscopy alone. The high diagnostic accuracy for classifying both melanoma and nonmelanoma skin cancer lesions demonstrates the potential for SD as a clinical diagnostic device.

  9. High spectral resolution studies of gamma ray bursts on new missions

    International Nuclear Information System (INIS)

    Desai, U. D.; Acuna, M. H.; Cline, T. L.; Dennis, B. R.; Orwig, L. E.; Trombka, J. I.; Starr, R. D.

    1996-01-01

    Two new missions will be launched in 1996 and 1997, each carrying X-ray and gamma ray detectors capable of high spectral resolution at room temperature. The Argentine Satelite de Aplicaciones Cientificas (SAC-B) and the Small Spacecraft Technology Initiative (SSTI) Clark missions will each carry several arrays of X-ray detectors primarily intended for the study of solar flares and gamma-ray bursts. Arrays of small (1 cm 2 ) cadmium zinc telluride (CZT) units will provide x-ray measurements in the 10 to 80 keV range with an energy resolution of ≅6 keV. Arrays of both silicon avalanche photodiodes (APD) and P-intrinsic-N (PIN) photodiodes (for the SAC-B mission only) will provide energy coverage from 2-25 keV with ≅1 keV resolution. For SAC-B, higher energy spectral data covering the 30-300 keV energy range will be provided by CsI(Tl) scintillators coupled to silicon APDs, resulting in similar resolution but greater simplicity relative to conventional CsI/PMT systems. Because of problems with the Pegasus launch vehicle, the launch of SAC-B has been delayed until 1997. The launch of the SSTI Clark mission is scheduled for June 1996

  10. Study on spectral calibration of an ultraviolet Fourier transform imaging spectrometer with high precision

    Science.gov (United States)

    Yang, Wenming; Liao, Ningfang; Cheng, Haobo; Li, Yasheng; Bai, Xueqiong; Deng, Chengyang

    2018-01-01

    In this paper, we reported the laboratory spectral calibration of an ultraviolet (UV) Fourier transform imaging spectrometer (FTIS). A short overview of the designed UV-FTIS, which feature with a Cassegrain objective, an Offner relay optics system and a spatial-and-temporal modulation Michelson structure, is given. The experimental setup of spectral calibration is described, including details of the light source and integrating sphere. A high pressure mercury lamp was used to acquire reference spectrum. We calculated the all optical path difference (OPD) to achieve spectral response of every wavelength sample and divided the position of reference peak to subpixel to increase the precision of spectral calibration. The spectrum of spectral calibration show two weakly responded peaks, which was validated by reference spectrum of fiber optic spectrometer. The deviation of wavelength calibration is low to establish a best spectrometer resolution. The results of spectral calibration can meet the requirements of the UV-FTIS application.

  11. The optimisation study of tbp synthesis process by phosphoric acid

    International Nuclear Information System (INIS)

    Amedjkouh, A.; Attou, M.; Azzouz, A.; Zaoui, B.

    1995-07-01

    The present work deals with the optimisation study of TBP synthesis process by phosphoric acid. This way of synthesis is more advantageous than POCL3 or P2O5 as phosphatant agents. these latters are toxic and dangerous for the environnement. The optimisation study is based on a series of 16 experiences taking into account the range of variation of the following parameters : temperature, pressure, reagents mole ratio, promoter content. the yield calculation is based on the randomisation of an equation including all parameters. the resolution of this equation gave a 30% TBP molar ratio. this value is in agreement with that of experimental data

  12. Synthesis,

    Directory of Open Access Journals (Sweden)

    Ganesan Vanangamudi

    2017-02-01

    Full Text Available Twelve 2,5-dimethyl-3-thienyl chalcones [E-1-(2,5-dimethyl-3-thienyl-3-(substituted phenyl-2-propen-1-ones] have been synthesized by Claisen–Schmidt condensation of 3-acetyl-2,5-dimethyl furon and substituted benzaldehydes. Yields of the chalcones are more than 80%. These chalcones were characterized by their physical constants and spectral data. The group frequencies of infrared ν(cm−1 of CO s-cis and s-trans, CH in-plane and out of plane, CHCH out of plane, >CC< out of plane modes, NMR chemical shifts δ(ppm of Hα, Hβ, CO, Cα and Cβ of these chalcones were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analyses. From the results of statistical analyses, the effects of substituents on the group frequencies are explained. Antibacterial, antifungal, antioxidant and insect antifeedant activities of these chalcones have been studied.

  13. Comparative Studies of Population Synthesis Models in the ...

    Indian Academy of Sciences (India)

    Comparative Studies of Population Synthesis Models in the Framework of Modified Strömgren Filters ... The study conveys a good agreement of GALEV models with modified Strömgren colours but with poor UV model predictions and observed globular cluster data, while the spectroscopic models perform badly because of ...

  14. Novel Pyranopyrazoles: Synthesis and Theoretical Studies

    Directory of Open Access Journals (Sweden)

    Abdul Amir H. Kadhum

    2012-08-01

    Full Text Available A series of pyranopyrazoles, namely, 7-(2-aminoethyl-3,4-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H-one (2, (Z-3,4-dimethyl-1-(4-((4-nitrobenzylideneaminophenylpyrano[2,3-c]pyrazol-6(1H-one (5, 1-(4-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1(6H-ylphenyl-3-(naphthalen-1-ylurea (6, (Z-ethyl 4-((3,4-dimethyl-6-oxo-1,6-dihydropyrano[2,3-c]pyrazol-5-yldiazenylbenzoate (8 and 3,4-dimethyl-N-(naphthalen-1-yl-6-oxopyrano[2,3-c]pyrazole-1(6H-carboxamide (9 were synthesized and characterized by means of their UV-VIS, FT-IR, 1H-NMR and 13C-NMR spectral data. Density Functional Theory calculations of the synthesized pyranopyrazoles were performed using molecular structures with optimized geometries. Molecular orbital calculations have provided detail description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.

  15. Fluorescent spectral studies of the toxic effect of chlororganic pesticides on the biochemical parameters of synaptosomes

    Science.gov (United States)

    Giraev, K. M.; Bekshokov, K. S.; Ashurbekov, N. A.; Abdullaeva, N. M.; Israpov, E. Kh.; Gashimov, I. Sh.

    2017-04-01

    The results of the study of the fluorescence spectra of suspensions of synaptosomes, which have been exposed to a chlororganic pesticide, thiamethoxam, at a concentration of 50 MPC during different time periods, at the excitation/emission wavelengths of 290 ± 5/310-600, 340 ± 5/360-700, and 420 ± 5/450-800 nm are given for the first time. It has been demonstrated that the development of intoxication results in weakening of the fluorescence intensity of tryptophan, NAD(P)·H, derivatives of vitamin B6, and vitamin A and in an increase in the fluorescence of pyridoxic acid, lipofuscin, and flavin and porphyrin complexes. The results of the spectral studies indicate that the toxic effect of the chlororganic pesticide for the functioning of living systems is based on free radical toxicity.

  16. Serotonin synthesis studied with positron emission tomography, (PET)

    DEFF Research Database (Denmark)

    Honoré, Per Gustaf Hartvig; Lundquist, Pinelopi

    Positron emission tomography (PET) has the potential to study the biosynthesis and release of serotonin (5HT) at brain serotonergic neurons. PET requires probe compounds with specific attributes to enable imaging and quantification of biological processes. This section focuses on probes to measure...... seroonin synthesis rate. Knowledge of altered 5HT synthesis and release in disease states may furnish basis for effective pharmacotherapy that may improve the care of psychiatric and neurological disease. Validation of PET measurements of the two PET tracers using perturbation showed that 5-hydroxy...... different from those of 5HTP, suggesting that the two PET probes provide estimates related to the enzyme activity of different steps in the 5HT synthesis pathway. Applications of the two tracers HTP and AMT are reviewed. Up to now, 5HTP has mainly been used for the detection, staging and treatment...

  17. ESR and spectral studies of Er3+ ions in soda-lime silicate glass

    International Nuclear Information System (INIS)

    Kaewwiset, W.; Thamaphat, K.; Kaewkhao, J.; Limsuwan, P.

    2013-01-01

    Electron spin resonance (ESR), optical absorption spectra and photoluminescence spectra of Er 3+ ions in soda-lime silicate glasses doped with different concentrations of Er 2 O 3 have been studied. The glasses of the composition (in mol%) (65-x)SiO 2 :25Na 2 O:10CaO:xEr 2 O 3 (where x=0.02, 0.05, 0.1, 0.3, 0.5, 1, 2, 3, 4 and 5) were prepared by the melt quenching method. ESR measurements were carried out at room temperature down to 1.62 K. Absorption spectra were investigated in the UV-VIS-NIR region from 300 to 1800 nm. Photoluminescence spectra were observed in the spectral range 500-800 nm under 514.5 nm argon-ion laser line excitation.

  18. Study of $\\tau$ decays involving kaons, spectral functions and determination of the strange quark mass

    CERN Document Server

    Barate, R.; Ghez, Philippe; Goy, C.; Lees, J.P.; Merle, E.; Minard, M.N.; Pietrzyk, B.; Alemany, R.; Casado, M.P.; Chmeissani, M.; Crespo, J.M.; Fernandez, E.; Fernandez-Bosman, M.; Garrido, L.; Grauges, E.; Juste, A.; Martinez, M.; Merino, G.; Miquel, R.; Mir, L.M.; Pacheco, A.; Park, I.C.; Riu, I.; Colaleo, A.; Creanza, D.; De Palma, M.; Gelao, G.; Iaselli, G.; Maggi, G.; Maggi, M.; Nuzzo, S.; Ranieri, A.; Raso, G.; Ruggieri, F.; Selvaggi, G.; Silvestris, L.; Tempesta, P.; Tricomi, A.; Zito, G.; Huang, X.; Lin, J.; Ouyang, Q.; Wang, T.; Xie, Y.; Xu, R.; Xue, S.; Zhang, J.; Zhang, L.; Zhao, W.; Abbaneo, D.; Becker, U.; Boix, G.; Cattaneo, M.; Ciulli, V.; Dissertori, G.; Drevermann, H.; Forty, R.W.; Frank, M.; Halley, A.W.; Hansen, J.B.; Harvey, John; Janot, P.; Jost, B.; Lehraus, I.; Leroy, O.; Mato, P.; Minten, A.; Moutoussi, A.; Ranjard, F.; Rolandi, Gigi; Rousseau, D.; Schlatter, D.; Schmitt, M.; Schneider, O.; Tejessy, W.; Teubert, F.; Tomalin, I.R.; Tournefier, E.; Wright, A.E.; Ajaltouni, Z.; Badaud, F.; Chazelle, G.; Deschamps, O.; Falvard, A.; Ferdi, C.; Gay, P.; Guicheney, C.; Henrard, P.; Jousset, J.; Michel, B.; Monteil, S.; Montret, J.C.; Pallin, D.; Perret, P.; Podlyski, F.; Hansen, J.D.; Hansen, J.R.; Hansen, P.H.; Nilsson, B.S.; Rensch, B.; Waananen, A.; Daskalakis, G.; Kyriakis, A.; Markou, C.; Simopoulou, E.; Siotis, I.; Vayaki, A.; Blondel, A.; Bonneaud, G.; Brient, J.C.; Rouge, A.; Rumpf, M.; Swynghedauw, M.; Verderi, M.; Videau, H.; Focardi, E.; Parrini, G.; Zachariadou, K.; Cavanaugh, R.; Corden, M.; Georgiopoulos, C.; Antonelli, A.; Bencivenni, G.; Bologna, G.; Bossi, F.; Campana, P.; Capon, G.; Cerutti, F.; Chiarella, V.; Laurelli, P.; Mannocchi, G.; Murtas, F.; Murtas, G.P.; Passalacqua, L.; Pepe-Altarelli, M.; Curtis, L.; Lynch, J.G.; Negus, P.; O'Shea, V.; Raine, C.; Teixeira-Dias, P.; Thompson, A.S.; Buchmuller, O.; Dhamotharan, S.; Geweniger, C.; Hanke, P.; Hansper, G.; Hepp, V.; Kluge, E.E.; Putzer, A.; Sommer, J.; Tittel, K.; Werner, S.; Wunsch, M.; Beuselinck, R.; Binnie, D.M.; Cameron, W.; Dornan, P.J.; Girone, M.; Goodsir, S.; Martin, E.B.; Marinelli, N.; Sedgbeer, J.K.; Spagnolo, P.; Thomson, Evelyn J.; Williams, M.D.; Ghete, V.M.; Girtler, P.; Kneringer, E.; Kuhn, D.; Rudolph, G.; Betteridge, A.P.; Bowdery, C.K.; Buck, P.G.; Colrain, P.; Crawford, G.; Finch, A.J.; Foster, F.; Hughes, G.; Jones, R.W.L.; Robertson, N.A.; Williams, M.I.; Giehl, I.; Hoffmann, C.; Jakobs, K.; Kleinknecht, K.; Quast, G.; Renk, B.; Rohne, E.; Sander, H.G.; van Gemmeren, P.; Wachsmuth, H.; Zeitnitz, C.; Aubert, J.J.; Benchouk, C.; Bonissent, A.; Carr, J.; Coyle, P.; Etienne, F.; Motsch, F.; Payre, P.; Talby, M.; Thulasidas, M.; Aleppo, M.; Antonelli, M.; Ragusa, F.; Berlich, R.; Buescher, Volker; Dietl, H.; Ganis, G.; Huttmann, K.; Lutjens, G.; Mannert, C.; Manner, W.; Moser, H.G.; Schael, S.; Settles, R.; Seywerd, H.; Stenzel, H.; Wiedenmann, W.; Wolf, G.; Azzurri, P.; Boucrot, J.; Callot, O.; Chen, S.; Cordier, A.; Davier, M.; Duflot, L.; Grivaz, J.F.; Heusse, P.; Hocker, Andreas; Jacholkowska, A.; Kim, D.W.; Le Diberder, F.; Lefrancois, J.; Lutz, A.M.; Schune, M.H.; Veillet, J.J.; Videau, I.; Zerwas, D.; Bagliesi, Giuseppe; Bettarini, S.; Boccali, T.; Bozzi, C.; Calderini, G.; Dell'Orso, R.; Ferrante, I.; Foa, L.; Giassi, A.; Gregorio, A.; Ligabue, F.; Lusiani, A.; Marrocchesi, P.S.; Messineo, A.; Palla, F.; Rizzo, G.; Sanguinetti, G.; Sciaba, A.; Sguazzoni, G.; Tenchini, R.; Vannini, C.; Venturi, A.; Verdini, P.G.; Blair, G.A.; Cowan, G.; Green, M.G.; Medcalf, T.; Strong, J.A.; von Wimmersperg-Toeller, J.H.; Botterill, D.R.; Clifft, R.W.; Edgecock, T.R.; Norton, P.R.; Thompson, J.C.; Bloch-Devaux, Brigitte; Colas, P.; Emery, S.; Kozanecki, W.; Lancon, E.; Lemaire, M.C.; Locci, E.; Perez, P.; Rander, J.; Renardy, J.F.; Roussarie, A.; Schuller, J.P.; Schwindling, J.; Trabelsi, A.; Vallage, B.; Black, S.N.; Dann, J.H.; Johnson, R.P.; Kim, H.Y.; Konstantinidis, N.; Litke, A.M.; McNeil, M.A.; Taylor, G.; Booth, C.N.; Cartwright, S.; Combley, F.; Kelly, M.S.; Lehto, M.; Thompson, L.F.; Affholderbach, K.; Boehrer, Armin; Brandt, S.; Grupen, C.; Prange, G.; Giannini, G.; Gobbo, B.; Rothberg, J.; Wasserbaech, S.; Armstrong, S.R.; Charles, E.; Elmer, P.; Ferguson, D.P.S.; Gao, Y.; Gonzalez, S.; Greening, T.C.; Hayes, O.J.; Hu, H.; Jin, S.; McNamara, P.A., III; Nachtman, J.M.; Nielsen, J.; Orejudos, W.; Pan, Y.B.; Saadi, Y.; Scott, I.J.; Walsh, J.; Wu, Sau Lan; Wu, X.; Zobernig, G.

    1999-01-01

    All ALEPH measurements of branching ratios of tau decays involving kaons are summarized including a combination of results obtained with K^0_S and K^0_L detection. The decay dynamics are studied, leading to the determination of contributions from vector K^*(892) and K^{*}(1410), and axial-vector K_1(1270) and K_1(1400) resonances. Agreement with isospin symmetry is observed among the different final states. Under the hypothesis of the conserved vector current, the spectral function for the K\\bar{K}\\pi mode is compared with the corresponding cross section for low energy e^+e^- annihilation, yielding an axial-vector fraction of (94^{+6}_{-8})% for this mode. The branching ratio for tau decay into all strange final states is determined to be B(\\tau^-\\to X^-(S=-1)\

  19. Ultrasonic wave propagation in viscoelastic cortical bone plate coupled with fluids: a spectral finite element study.

    Science.gov (United States)

    Nguyen, Vu-Hieu; Naili, Salah

    2013-01-01

    This work deals with the ultrasonic wave propagation in the cortical layer of long bones which is known as being a functionally graded anisotropic material coupled with fluids. The viscous effects are taken into account. The geometrical configuration mimics the one of axial transmission technique used for evaluating the bone quality. We present a numerical procedure adapted for this purpose which is based on the spectral finite element method (FEM). By using a combined Laplace-Fourier transform, the vibroacoustic problem may be transformed into the frequency-wavenumber domain in which, as radiation conditions may be exactly introduced in the infinite fluid halfspaces, only the heterogeneous solid layer needs to be analysed using FEM. Several numerical tests are presented showing very good performance of the proposed approach. We present some results to study the influence of the frequency on the first arriving signal velocity in (visco)elastic bone plate.

  20. Investigating the feasibility of classifying breast microcalcifications using photon-counting spectral mammography: A simulation study.

    Science.gov (United States)

    Ghammraoui, Bahaa; Glick, Stephen J

    2017-06-01

    A dual-energy material decomposition method using photon-counting spectral mammography was investigated as a non-invasive diagnostic approach to differentiate between Type I calcifications, consisting of calcium oxalate dihydrate or weddellite compounds that are more often associated with benign lesions, and Type II calcifications containing hydroxyapatite that are predominantly associated with malignant tumors. The study was carried out by numerical simulation to assess the feasibility of the proposed approach. A pencil-beam geometry was modeled, and the total number of x-rays transported through a breast embedded with microcalcifications of different types and sizes were simulated by a one-pixel detector. Material decomposition using two energy bins was then applied to characterize the simulated calcifications into hydroxyapatite and weddellite using maximum-likelihood estimation, taking into account the polychromatic source, and the energy dependent attenuation. Simulation tests were carried out for different dose levels, energy windows and calcification sizes for multiple noise realizations. The results were analyzed using receiver operating characteristic (ROC) analysis. Classification between Type I and Type II calcifications achieved by analyzing a single microcalcification showed moderate accuracy. However, simultaneously analyzing several calcifications within the cluster provided area under the ROC curve of greater than 99% for radiation dose greater than 4.8 mGy mean glandular dose. Simulation results indicated that photon-counting spectral mammography with dual energy material decomposition has the potential to be used as a non-invasive method for discrimination between Type I and Type II microcalcifications that can potentially improve early breast cancer diagnosis and reduce the number of negative breast biopsies. Additional studies using breast specimens and clinical data should be performed to further explore the feasibility of this approach

  1. A Study on Effect of Water Background on Canopy Spectral of Wetland Aquatic Plant.

    Science.gov (United States)

    Liu, Guang; Tang, Peng; Cai Zhan-qing; Wang, Tian-tian; Xu, Jun-feng

    2015-10-01

    Aquatic vegetation is the core of the wetland ecosystem, and it's also the main factor influencing the wetland ecosystem functions. In recent years, satellite remote sensing technology has been widely used in the investigation, classification and protection fields of wetland vegetation resources. Because of its unique growth environment, aquatic vegetation, the canopy spectrum of aquatic vegetation will be affected by water background elements including air-water interface, plankton in the water, sediment content, transparency, water depth, sediment, and the other optically active ingredients. When the remote sensing technology for wetland aquatic vegetation canopy spectral studies, should be considered the growth environment differences between aquatic and terrestrial vegetation. However, previous studies did not get the attention it deserves. This paper choose a typical water plant (Iris tentorium Maxim) as the research object, simulate the growth environment of wetland aquatic plants, use the feature spectrometer measurements the spectral reflectance of Iris tentorium Maxim vegetation canopy under different water depth gradient background (400-2 400 nm). Experimental results show that there is a significant negative correlation between background water depth and Iris canopy reflectance. Visible light band absolute correlation coefficient is above 0.9, near infrared band absolute correlation coefficient is above 0.8. In visible light and near infrared band, with water depth increases, the Iris canopy reflectance decreases obviously. Finally based on the highest correlation band of visible light and near infrared region (505, 717, 1 075 and 2 383 nm) established the linear equation between background water depth and the canopy reflectance, obtained the related parameters.

  2. Global Source Parameters from Regional Spectral Ratios for Yield Transportability Studies

    Science.gov (United States)

    Phillips, W. S.; Fisk, M. D.; Stead, R. J.; Begnaud, M. L.; Rowe, C. A.

    2016-12-01

    We use source parameters such as moment, corner frequency and high frequency rolloff as constraints in amplitude tomography, ensuring that spectra of well-studied earthquakes are recovered using the ensuing attenuation and site term model. We correct explosion data for path and site effects using such models, which allows us to test transportability of yield estimation techniques based on our best source spectral estimates. To develop a background set of source parameters, we applied spectral ratio techniques to envelopes of a global set of regional distance recordings from over 180,000 crustal events. Corner frequencies and moment ratios were determined via inversion using all event pairs within predetermined clusters, shifting to absolute levels using independently determined regional and teleseismic moments. The moment and corner frequency results can be expressed as stress drop, which has considerable scatter, yet shows dramatic regional patterns. We observe high stress in subduction zones along S. America, S. Mexico, the Banda Sea, and associated with the Yakutat Block in Alaska. We also observe high stress at the Himalayan syntaxes, the Pamirs, eastern Iran, the Caspian, the Altai-Sayan, and the central African rift. Low stress is observed along mid ocean spreading centers, the Afar rift, patches of convergence zones such as Nicaragua, the Zagros, Tibet, and the Tien Shan, among others. Mine blasts appear as low stress events due to their low corners and steep rolloffs. Many of these anomalies have been noted by previous studies, and we plan to compare results directly. As mentioned, these results will be used to constrain tomographic imaging, but can also be used in model validation procedures similar to the use of ground truth in location problems, and, perhaps most importantly, figure heavily in quality control of local and regional distance amplitude measurements.

  3. Novel Co(II) phthalocyanines of extended periphery and their water-soluble derivatives. Synthesis, spectral properties and catalytic activity

    Science.gov (United States)

    Filippova, Anna; Vashurin, Artur; Znoyko, Serafima; Kuzmin, Ilya; Razumov, Mikhail; Chernova, Alena; Shaposhnikov, Gennady; Koifman, Oscar

    2017-12-01

    Novel complexes of cobalt and copper with substituted phthalocyanines were synthesized and characterized. Their water-soluble derivatives were obtained by sulfonation under mild conditions and structurally proved. Aggregation equilibrium in water mediums was shown and influence of geometrical and electron parameters of macroheterocycle peripheral substituents on these processes was established. Catalytic activity upon liquid-phase oxidation of N,N-diethylcarbamodithiolate to thiuram E was studied. Kinetic parameters of substrate oxidation in presence of cobalt phthalocyanines were considered.

  4. Synthesis, characterization, crystal structure and DNA-binding study ...

    Indian Academy of Sciences (India)

    BOLIN

    SYNOPSIS. Synthesis and characterization of four mononuclear eight coordinated cadmium(II) complexes with newly explored carboxamide derivatives and study of interaction with calf-thymus DNA are reported. The results suggest that neutral complexes 2a and 2b bind to DNA in an intercalative mode. On the other hand, ...

  5. Study towards diversity oriented synthesis of optically active ...

    Indian Academy of Sciences (India)

    A study towards diversity-oriented synthesis of optically active cyclopentane fused bicyclic frameworks has been accomplished. The common intermediate was prepared from commercially available starting material (S)-carvone. The observations on competition between Grubbs-II catalyzed ring closing metathesis (RCM) ...

  6. Synthesis and spectroscopic study of high quality alloy Cdx S ...

    Indian Academy of Sciences (India)

    Wintec

    Abstract. In the present study, we report the synthesis of high quality CdxZn1–xS nanocrystals alloy at. 150°C with changing the composition. The shifting of absorption and emission peak in shorter wave- length is obtained with increasing the mole fraction of zinc. The quantum yield (QY) value decreases with increasing the ...

  7. Synthesis and aggregation study of optically active tetra--[()-2 ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 122; Issue 6. Synthesis and aggregation study of optically active tetra--[()-2-octanyloxy]-substituted copper and nickel phthalocyanines. Fang-Di Cong Gui Gao Jian-Xin Li Guo-Qing Huang Zhen Wei Feng-Yang Yu Xi-Guang Du Ke-Zhi Xing. Full Papers Volume ...

  8. Synthesis, characterization and isotherm studies of new composite ...

    Indian Academy of Sciences (India)

    Sorption isotherm studies were conducted in order to investigate the sorption mechanism controlling the sorption process of La3+, Ce3+,. Sm3+ and Nd3+ onto POTZr(IV)WP. 2. Material and method. 2.1 Chemicals and reagents. The main reagents used for the synthesis were zirconium oxychloride (ZrOCl2·8H2O), N-cetyl-N ...

  9. Synthesis, characterization and ion recognition studies of lower rim ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 125; Issue 6. Synthesis, characterization and ion recognition studies of lower rim 1,3-di{rhodamine} conjugate of calix[4]arene. Jugun Prakash Chinta Jayaraman Dessingou Chebrolu Pulla Rao. Regular Articles Volume 125 Issue 6 November 2013 pp 1455-1461 ...

  10. Synthesis, experimental and theoretical studies of two cocrystals in 1 ...

    Indian Academy of Sciences (India)

    Abstract. This paper reports synthesis, characterization and theoretical studies of two 1:1 stoichiometric ratio cocrystals of 4,4'-bithiazole-2,2'-diamine (DABTZ) with 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) and 1,3-bis(4-pyridyl)ethane (bpa). These cocrystal compounds have been prepared by slow evaporation method and ...

  11. Synthesis, characterization and antimicrobial studies of cadmium(II)

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 130; Issue 4. Synthesis, characterization and antimicrobial studies of cadmium(II) complexes with a tetraazamacrocycle (LB) and its cyanoethyl N-pendent derivative (LBX). MD SHAH ALAM SASWATA RABI MD MASUDUR RAHMAN ADRITY BAIDYA MANASHI DEBI ...

  12. Studies towards the total synthesis of insect antifeedant clerodanes

    NARCIS (Netherlands)

    Vader, J.

    1989-01-01

    An approach towards the total synthesis of insect antifeedant clerodanes is described in this thesis.
    In chapter 1 the structure, nomenclature, occurrence, biosynthesis and physiological activities of the clerodanes are described. A number of structure/activity studies, concerning

  13. Synthesis, spectral analysis, stability constants, antioxidant and biological activities of Co (II), Ni (II) and Cu (II) mixed ligand complexes of nicotinamide, theophylline and thiocyanate

    Science.gov (United States)

    Altun, Özlen; Şuözer, Mehtap

    2017-12-01

    In the present study, transition metal complexes or coordination entities with metal precursors such as Co (II), Ni (II) and Cu (II) of mixed ligands namely, nicotinamide (NA), theophylline (TP) and KSCN in water were synthesized under refluxing conditions. The optimization of the reactions to obtain the composition of complexes was performed. The structural elucidation of the complexes was undertaken by using physico-chemical and spectroscopic methods (UV/Vis, FT-IR, Mass and XRD) and thermal analysis. The spectral measurements of mixed ligands with the Co (II), Ni (II) and Cu (II) complexes are compared with each other in determining which atoms of the ligand are coordinated to the metal ion. Based on spectral and magnetic moment measurements, all the coordination entities were identified as in distorted octahedral structure and have the form [M(NA)2 (TP)2(SCN)2]·xH2O. In addition, K (stability constant) and ΔG (Gibbs free energy) values were calculated by using the Babko and Stanley & Turner's methods. Antioxidant, antibacterial and antifungal activities of the complexes were studied.

  14. Internal correction of spectral interferences and mass bias for selenium metabolism studies using enriched stable isotopes in combination with multiple linear regression.

    Science.gov (United States)

    Lunøe, Kristoffer; Martínez-Sierra, Justo Giner; Gammelgaard, Bente; Alonso, J Ignacio García

    2012-03-01

    The analytical methodology for the in vivo study of selenium metabolism using two enriched selenium isotopes has been modified, allowing for the internal correction of spectral interferences and mass bias both for total selenium and speciation analysis. The method is based on the combination of an already described dual-isotope procedure with a new data treatment strategy based on multiple linear regression. A metabolic enriched isotope ((77)Se) is given orally to the test subject and a second isotope ((74)Se) is employed for quantification. In our approach, all possible polyatomic interferences occurring in the measurement of the isotope composition of selenium by collision cell quadrupole ICP-MS are taken into account and their relative contribution calculated by multiple linear regression after minimisation of the residuals. As a result, all spectral interferences and mass bias are corrected internally allowing the fast and independent quantification of natural abundance selenium ((nat)Se) and enriched (77)Se. In this sense, the calculation of the tracer/tracee ratio in each sample is straightforward. The method has been applied to study the time-related tissue incorporation of (77)Se in male Wistar rats while maintaining the (nat)Se steady-state conditions. Additionally, metabolically relevant information such as selenoprotein synthesis and selenium elimination in urine could be studied using the proposed methodology. In this case, serum proteins were separated by affinity chromatography while reverse phase was employed for urine metabolites. In both cases, (74)Se was used as a post-column isotope dilution spike. The application of multiple linear regression to the whole chromatogram allowed us to calculate the contribution of bromine hydride, selenium hydride, argon polyatomics and mass bias on the observed selenium isotope patterns. By minimising the square sum of residuals for the whole chromatogram, internal correction of spectral interferences and mass

  15. A facile synthesis and spectral characterization of Cu{sup 2+} doped CdO/ZnS nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Joyce Stella, R.; Thirumala Rao, G.; Babu, B.; Pushpa Manjari, V. [Department of Physics, University College of Sciences, Acharya Nagarjuna University, Nagarjuna Nagar, AP 522510 (India); Reddy, Ch. Venkata; Shim, Jaesool [School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749 (Korea, Republic of); Ravikumar, R.V.S.S.N., E-mail: rvssn@yahoo.co.in [Department of Physics, University College of Sciences, Acharya Nagarjuna University, Nagarjuna Nagar, AP 522510 (India)

    2015-06-15

    A facile two-step method is demonstrated for the preparation of Cu{sup 2+} doped CdO/ZnS nanocomposite. Systematic investigations like X-ray diffraction (XRD), Scanning electron microscopy (SEM) with EDS, transmission electron microscopy (TEM), FT-IR, electron paramagnetic resonance (EPR), optical absorption, photoluminescence (PL) and magnetic studies are carried out for the prepared material. From powder XRD, the nanocomposites are comprised for cubic phase of both CdO and ZnS in a close contact with each other. The ground state wave function of dopant ions has been estimated from EPR studies. Optical and EPR data confirm that doped Cu{sup 2+}ions occupy rhombically distorted octahedral sites with the host material. Due to doping, band gap has been changed and blue shifts occurred in PL. Magnetic measurements indicate a possible ferromagnetic response, associated to the exchange interaction between local spin-polarized electrons of Cu{sup 2+} ions and conductive electrons. - Graphical abstract: M–H curve of Cu{sup 2+} doped CdO–ZnS nanocomposites. The magnetic properties of Cu{sup 2+} doped CdO/ZnS nanocomposite has been investigated using vibrating sample magnetometer given as magnetization and hysteresis (M–H) curve. The magnetization curve with noticeable coercivity of M–H loop clearly indicate the existence of ferromagnetic ordering in Cu{sup 2+} doped CdO/ZnS nanocomposite at room temperature. According to the Ruderman–Kittel–Kasuya–Yosida (RKKY) theory, the exchange interaction between local spin-polarized electrons (such as the electrons of Cu{sup 2+} ions) and conductive electrons is the main cause that leads to the ferromagnetism. Coercivity (Hc) of the field is about 98 Oe, saturation magnetization (Ms) and remnant magnetization (Mr) of present sample is estimated to be 15.8×10{sup −3} and 1.43×10{sup −3} emu/g respectively. The ferromagnetism observed in the prepared material is not commencing with other impurities but expected to

  16. Synthesis, spectral, crystal structure, thermal behavior, antimicrobial and DNA cleavage potential of two octahedral cadmium complexes: A supramolecular structure

    Science.gov (United States)

    Montazerozohori, M.; Musavi, S. A.; Masoudiasl, A.; Naghiha, A.; Dusek, M.; Kucerakova, M.

    2015-02-01

    Two new cadmium(II) complexes with the formula of CdL2(NCS)2 and CdL2(N3)2 (in which L is 2,2-dimethyl-N,N‧-bis-(3-phenyl-allylidene)-propane-1,3-diamine) have been synthesized and characterized by elemental analysis, molar conductivity measurements, FT/IR, UV-Visible, 1H and 13C NMR spectra and X-ray studies. The crystal structure analysis of CdL2(NCS)2 indicated that it crystallizes in orthorhombic system with space group of Pbca. Two Schiff base ligands are bonded to cadmium(II) ion as N2-donor chelate. Coordination geometry around the cadmium ion was found to be partially distorted octahedron. The Cd-Nimine bond distances are found in the range of 2.363(2)-2.427(2) Å while the Cd-Nisothiocyanate bond distances are 2.287(2) Å and 2.310(2) Å. The existence of C-H⋯π and C-H⋯S interactions in the CdL2(NCS)2 crystal leads to a supramolecular structure in its network. Then cadmium complexes were screened in vitro for their antibacterial and antifungal activities against two Gram-negative and two Gram-positive bacteria and also against Candida albicans as a fungus. Moreover, the compounds were subjected for DNA-cleavage potential by gel electrophoresis method. Finally thermo-gravimetric analysis of the complexes was applied for thermal behavior studies and then some thermo-kinetics activation parameters were evaluated.

  17. An inter-hemispheric, statistical study of nightside spectral width distributions from coherent HF scatter radars

    Directory of Open Access Journals (Sweden)

    E. E. Woodfield

    2002-12-01

    Full Text Available A statistical investigation of the Doppler spectral width parameter routinely observed by HF coherent radars has been conducted between the Northern and Southern Hemispheres for the nightside ionosphere. Data from the SuperDARN radars at Thykkvibær, Iceland and Syowa East, Antarctica have been employed for this purpose. Both radars frequently observe regions of high (>200 ms-1 spectral width polewards of low (<200 ms-1 spectral width. Three years of data from both radars have been analysed both for the spectral width and line of sight velocity. The pointing direction of these two radars is such that the flow reversal boundary may be estimated from the velocity data, and therefore, we have an estimate of the open/closed field line boundary location for comparison with the high spectral widths. Five key observations regarding the behaviour of the spectral width on the nightside have been made. These are (i the two radars observe similar characteristics on a statistical basis; (ii a latitudinal dependence related to magnetic local time is found in both hemispheres; (iii a seasonal dependence of the spectral width is observed by both radars, which shows a marked absence of latitudinal dependence during the summer months; (iv in general, the Syowa East spectral width tends to be larger than that from Iceland East, and (v the highest spectral widths seem to appear on both open and closed field lines. Points (i and (ii indicate that the cause of high spectral width is magnetospheric in origin. Point (iii suggests that either the propagation of the HF radio waves to regions of high spectral width or the generating mechanism(s for high spectral width is affected by solar illumination or other seasonal effects. Point (iv suggests that the radar beams from each of the radars are subject either to different instrumental or propagation effects, or different geophysical conditions due to their locations, although we suggest that this result is more likely to

  18. An inter-hemispheric, statistical study of nightside spectral width distributions from coherent HF scatter radars

    Directory of Open Access Journals (Sweden)

    E. E. Woodfield

    Full Text Available A statistical investigation of the Doppler spectral width parameter routinely observed by HF coherent radars has been conducted between the Northern and Southern Hemispheres for the nightside ionosphere. Data from the SuperDARN radars at Thykkvibær, Iceland and Syowa East, Antarctica have been employed for this purpose. Both radars frequently observe regions of high (>200 ms-1 spectral width polewards of low (<200 ms-1 spectral width. Three years of data from both radars have been analysed both for the spectral width and line of sight velocity. The pointing direction of these two radars is such that the flow reversal boundary may be estimated from the velocity data, and therefore, we have an estimate of the open/closed field line boundary location for comparison with the high spectral widths. Five key observations regarding the behaviour of the spectral width on the nightside have been made. These are (i the two radars observe similar characteristics on a statistical basis; (ii a latitudinal dependence related to magnetic local time is found in both hemispheres; (iii a seasonal dependence of the spectral width is observed by both radars, which shows a marked absence of latitudinal dependence during the summer months; (iv in general, the Syowa East spectral width tends to be larger than that from Iceland East, and (v the highest spectral widths seem to appear on both open and closed field lines. Points (i and (ii indicate that the cause of high spectral width is magnetospheric in origin. Point (iii suggests that either the propagation of the HF radio waves to regions of high spectral width or the generating mechanism(s for high spectral width is affected by solar illumination or other seasonal effects. Point (iv suggests that the radar beams from each of the radars are subject either to different instrumental or propagation effects, or different geophysical conditions due to their locations, although we suggest that this

  19. Can Transcranial Color Doppler Spectral Signatures be a Novel Biomarker for Monitoring Cerebrovascular Autoregulation and Intracranial Pressure? A Speculative Synthesis.

    Science.gov (United States)

    Mangalore, Sandhya; Kotresh; Srinivasa, Rakshith; Hegde, Alangar Sathyaranjandas; Srinivasa, Rangashetty

    2017-01-01

    Trans Cranial Colour Doppler (TCCD) has been extensively used in various neurological and neurosurgical conditions causing severe raise in the intracranial pressure (ICP). Our study explores the sequential evolution of TCCD flow pattern by correlating with pupillary reactivity, Glasgow coma scale (GCS), and imaging. Our cohort consisted of thirty patients with ten patients in each subgroup admitted to the neuro-Intensive Care Unit (NICU) for various neurological and neurosurgical causes. Middle cerebral artery was insonated through the transtemporal window at the time of admission to NICU. Doppler waveform and parameters such as peak systolic velocity, end-diastolic velocity, systolic by diastolic ratio, pulsatility index, and resistivity index were recorded. The clinical variables for evaluating the degree of raised ICP were the GCS and pupil size. Other systemic parameters such as mean arterial pressure, heart rate, and respiratory rate were also considered and these results were further correlated with TCCD findings. The groups were divided into three groups based on GCS, pupillary reactivity, and imaging. Imaging was done to indicate the etiology for ICP changes and also to look for signs of raised ICP. Ten distinct types of waveform patterns were noted, and these waveforms correlated with various physiological parameters suggestive of raised ICP. The sequential evolution of distinct patterns of Doppler waveform with increasing degree of raise in ICP has been described and can act as a quick screening tool in NICU and helps stratify patients for treatment and prognostication.

  20. Microwave based synthesis and spectral characterization of thermo-sensitive poly(N,N-diethylacrylamide) grafted pectin copolymer.

    Science.gov (United States)

    Işıklan, Nuran; Tokmak, Şeyma

    2018-07-01

    The functionalization of polysaccharides with synthetic polymers has attracted great attention owing to its application in many industrial fields. The aim of this work was to study the impact of pectin functionalization with N,N-diethylacrylamide (DEAAm). Pectin was modified via microwave-induced graft copolymerization of DEAAm using ceric ammonium nitrate (CAN) and N,N,N',N'-tetramethylethylenediamine (TEMED). FTIR, 13 C NMR, DSC/TGA, XRD, and SEM techniques were used to verify the structure of graft copolymers. Various reaction conditions such as microwave irradiation time, temperature, microwave power, monomer, initiator, and TEMED concentrations were investigated to get a maximum grafting yield of 192%. Lower critical solution temperatures (LCST) of graft copolymers were determined by UV spectroscopy. Graft copolymers were found to be thermo-sensitive, with LCST of 31°C and high thermal resistance. Biocompatibility test of copolymers showed that copolymers were not cytotoxic to L929 fibroblasts cells and can be used as a biomaterial. Copyright © 2018 Elsevier B.V. All rights reserved.

  1. Synthesis, structural and spectral analysis of (E)-N'-(4-Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate by density functional theory.

    Science.gov (United States)

    Govindarasu, K; Kavitha, E; Sundaraganesan, N; Suresh, M; Syed Ali Padusha, M

    2015-01-25

    New nonlinear optical crystal, (E)-N'-(4-Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate (MBP3CD 2H2O) has been synthesized and grown as a single crystal by the slow evaporation solution growth technique. The compound was characterized by FTIR (4000-400 cm(-1)), FT-Raman (3500-50 cm(-1)) and UV-Vis (800-200 nm) spectroscopy. The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of MBP3CD 2H2O have been investigated experimentally and theoretically using Gaussian03 software package were performed using B3LYP method with the 6-31G(d,p) basis set. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using Natural Bond Orbital (NBO) analysis. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive object for future studies of nonlinear optics. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. In addition, molecular electrostatic potential (MEP), frontier molecular orbital (FMO) analysis were investigated using theoretical calculations. The chemical reactivity and thermodynamic properties (heat capacity, entropy and enthalpy) of MBP3CD 2H2O at different temperature are calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. An experimental and theoretical study of the synthesis and vibrational spectroscopy of triacetone triperoxide (TATP)

    Science.gov (United States)

    Pacheco-Londono, Leonardo C.; Pena, Alvaro J.; Primera-Pedrozo, Oliva M.; Hernandez-Rivera, Samuel P.; Mina, Nairmen; Garcia, Rafael; Chamberlain, R. Thomas; Lareau, Richard T.

    2004-09-01

    Non nitrogen containing, organic peroxides explosives Triacetone triperoxide and diacetone diperoxide have been prepared in the laboratory in order to study various aspects of their synthesis and their experimental and theoretical spectroscopic characteristics. By using different proportions of acetone/hydrogen peroxide (Ac/H2O2), sulfuric, hydrochloric and methanosulfuric acids as catalyzers, it was possible to obtain both compounds in a rapid and simple form. Raman, IR spectroscopy, and GC-MS were used in order to determine the precursors, intermediates and final analytes. Experiments and theoretical studies using density functional theory (DFT) have been used in the elucidation step of the mechanism of the synthesis of the so called "transparent" explosives. The B3LYP functional with the 6-31G** basis set was used to carry out the electronic structure calculation of the intermediates and internal rotations and vibrations of TATP. Raman spectra of solid TATP and FTIR spectra of gas TATP, were recorded in order to assign the experimental spectra. Although full agreement with experiment was not obtained, spectral features of the main TATP bands were assigned.

  3. Positive Flash High-Speed Spectral Characteristics in the Upward Lightning Triggering Study (UPLIGHTS)

    Science.gov (United States)

    Orville, R. E.; Warner, T.

    2013-12-01

    The spectral properties of positive lightning flashes have been recorded for the first time. Two high-speed cameras, each operating at 35,000 fps, have recorded the positive leaders in the UPLIGHTS experiment in Rapid City, South Dakota. One of the cameras is modified to a spectrograph with a transmission diffraction grating to capture the lightning emissions from 400 to 900 nm. The positive leader infrared spectral emissions are relatively more intense compared to the visible spectral emissions. The positive lightning return stroke peak currents range from 24 to 91 kA.

  4. A parametric study based on spectral fatigue analysis for 170k LNGC

    Directory of Open Access Journals (Sweden)

    Tae-Yoon Park

    2011-06-01

    Full Text Available The Spectral Fatigue Analysis is representative fatigue life assessment method for vessels. This Analysis is performed generally for the whole vessel and many assessment sites. The spectral fatigue analysis is performed through the process of hydrodynamic response analysis, global structural analysis, local structural analysis and calculation of fatigue damage. In these processes, fatigue damage is affected by many variables. The representative variables are S-N curve data, wave scatter data, wave spectrum, bandwidth effect and etc. In this paper, the effects of these variables to the fatigue damage are analyzed through the spectral fatigue analysis for 170k LNGC.

  5. Unmetallated and metallated phthalocyanines bearing oxadiazole groups: Synthesis, photophysical and photochemical studies

    Energy Technology Data Exchange (ETDEWEB)

    Nas, Asiye [Department of Chemistry, Karadeniz Technical University, 61080 Trabzon (Turkey); Kantekin, Halit, E-mail: halit@ktu.edu.tr [Department of Chemistry, Karadeniz Technical University, 61080 Trabzon (Turkey); Durmuş, Mahmut [Gebze Institute of Technology, Department of Chemistry, PO Box 141, Gebze, 41400 Kocaeli (Turkey); Gümrükçüoğlu, Nurhan [Department of Chemistry, Karadeniz Technical University, 61080 Trabzon (Turkey)

    2014-10-15

    Unmetallated (4) and metallated (zinc(II), cobalt(II), lead(II)) phthalocyanines (5–7) carrying four 4-(4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy) groups on the peripheral positions were synthesized by cyclotetramerization of 4-(4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy)phthalonitrile (3) in the presence of corresponding metal salts (zinc(II) acetate, cobalt(II) chloride, lead(II) oxide) for metallated and without any metal for unmetallated phthalocyanines. The obtained organo-soluble phthalocyanines were characterized by infrared, electronic absorption, nuclear magnetic resonance and mass spectral techniques and elemental analysis as well. The photophysical and photochemical properties of newly synthesized tetra-substituted unmetallated (4), zinc(II) (5) and lead(II) (7) phthalocyanines were reported in N,N-dimetilformamid (DMF). The synthesized phthalocyanine compound 6 was not evaluated for photophysical and photochemical studies due to open shell and paramagnetic behavior of cobalt(II) metal ions in the phthalocyanine cavity. - Highlights: • Synthesis of unmetallated and metallated phthalocyanines. • Photophysical and photochemical properties of tetra-substituted phthalocyanines. • Characterization of organosoluble phthalocyanines by several spectral techniques.

  6. Synthesis, spectral studies and biological evaluation of 2-aminonicotinic acid metal complexes

    Science.gov (United States)

    Nawaz, Muhammad; Abbasi, Muhammad Waseem; Hisaindee, Soleiman; Zaki, Muhammad Javed; Abbas, Hira Fatima; Mengting, Hu; Ahmed, M. Arif

    2016-05-01

    We synthesized 2-aminonicotinic acid (2-ANA) complexes with metals such as Co(II), Fe(III), Ni(II), Mn(II), Zn(II), Ag(I),Cr(III), Cd(II) and Cu(II) in aqueous media. The complexes were characterized and elucidated using FT-IR, UV-Vis, a fluorescence spectrophotometer and thermo gravimetric analysis (TGA). TGA data showed that the stoichiometry of complexes was 1:2 metal/ligand except for Ag(I) and Mn(II) where the ratio was 1:1. The metal complexes showed varied antibacterial, fungicidal and nematicidal activities. The silver and zinc complexes showed highest activity against Bacillus subtilis and Bacillus licheniformis respectively. Fusarium oxysporum was highly susceptible to nickel and copper complexes whereas Macrophomina phaseolina was completely inert to the complexes. The silver and cadmium complexes were effective against the root-knot nematode Meloidogyne javanica.

  7. Biogenic silver nanoparticles using Rhinacanthus nasutus leaf extract: synthesis, spectral analysis, and antimicrobial studies

    OpenAIRE

    Pasupuleti, Visweswara Rao; Prasad, TNVKV; Shiekh, Rayees Ahmad; Balam, Satheesh Krishna; Narasimhulu, Ganapathi; Reddy, Cirandur Suresh; Rahman, Ismail Ab; Gan, Siew Hua

    2013-01-01

    Visweswara Rao Pasupuleti,1 TNVKV Prasad,2 Rayees Ahmad Shiekh,3 Satheesh Krishna Balam,4 Ganapathi Narasimhulu,5 Cirandur Suresh Reddy,4 Ismail Ab Rahman,3 Siew Hua Gan1 1Human Genome Center, School of Medical Sciences, Universiti Sains Malaysia, Kubang Kerian, Kelantan, Malaysia; 2Institute of Frontier Technology, Regional Agricultural Research Station, Acharya NG Ranga Agricultural University, Tirupati, Andhra Pradesh, India; 3Biomaterial Research Unit, School of Dental Sciences, Universit...

  8. Synthesis, spectral studies and biological evaluation of 2-aminonicotinic acid metal complexes.

    Science.gov (United States)

    Nawaz, Muhammad; Abbasi, Muhammad Waseem; Hisaindee, Soleiman; Zaki, Muhammad Javed; Abbas, Hira Fatima; Mengting, Hu; Ahmed, M Arif

    2016-05-15

    We synthesized 2-aminonicotinic acid (2-ANA) complexes with metals such as Co(II), Fe(III), Ni(II), Mn(II), Zn(II), Ag(I),Cr(III), Cd(II) and Cu(II) in aqueous media. The complexes were characterized and elucidated using FT-IR, UV-Vis, a fluorescence spectrophotometer and thermo gravimetric analysis (TGA). TGA data showed that the stoichiometry of complexes was 1:2 metal/ligand except for Ag(I) and Mn(II) where the ratio was 1:1. The metal complexes showed varied antibacterial, fungicidal and nematicidal activities. The silver and zinc complexes showed highest activity against Bacillus subtilis and Bacillus licheniformis respectively. Fusarium oxysporum was highly susceptible to nickel and copper complexes whereas Macrophomina phaseolina was completely inert to the complexes. The silver and cadmium complexes were effective against the root-knot nematode Meloidogyne javanica. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Tin(IV Complexes of Schiff Base Derived from Amino Acid: Synthesis and Characteristic Spectral Studies

    Directory of Open Access Journals (Sweden)

    Robina Aman

    2013-01-01

    Full Text Available A new series of tin(IV complexes of general formula [Sn(L-1(Opri2] (1, [Sn(HL-12(Opri2] (2, [Sn(L-2(Opri2] (3, [Sn(HL-22(Opri2] (4, (L is dianion of Schiff bases derived from the condensation of 2-hydroxy-1-naphthaldehyde with glycine (L-1 and Lβ-alanine (L-2 was synthesized by reaction of tin(IV tetraisopropoxide with the ligands, in appropriate stoichiometric ratios (1 : 1 and 1 : 2. This would result in the replacement of the isopropoxide group from the tin(IV tetraisopropoxide and hydrogen(s from ligand with the azeotropical removal of isopropanol. An attempt has been made to prove the structure of the resulting complexes on the basis of elemental analysis, IR, 1H nuclear magnetic resonance. The binding site of the ligand was identified by IR spectroscopic measurement. In these complexes, the tin(IV centre is bonded to oxygen atom of the hydroxyl or carboxylate group. The spectra data suggest that the carboxylate group is coordinated to tin(IV centre in monodentate manner.

  10. Enhanced spectral domain optical coherence tomography for pathological and functional studies

    Science.gov (United States)

    Yuan, Zhijia

    Optical coherence tomography (OCT) is a novel technique that enables noninvasive or minimally invasive, cross-sectional imaging of biological tissue at sub-10mum spatial resolution and up to 2-3mm imaging depth. Numerous technological advances have emerged in recent years that have shown great potential to develop OCT into a powerful imaging and diagnostic tools. In particular, the implementation of Fourier-domain OCT (FDOCT) is a major step forward that leads to greatly improved imaging rate and image fidelity of OCT. This dissertation summarizes the work that focuses on enhancing the performances and functionalities of spectral radar based FDOCT (SDOCT) for pathological and functional applications. More specifically, chapters 1-4 emphasize on the development of SDOCT and its utility in pathological studies, including cancer diagnosis. The principle of SDOCT is first briefly outlined, followed by the design of our bench-top SDOCT systems with emphasis on spectral linear interpolation, calibration and system dispersion compensation. For ultrahigh-resolution SDOCT, time-lapse image registration and frame averaging is introduced to effectively reduce speckle noise and uncover subcellular details, showing great promise for enhancing the diagnosis of carcinoma in situ. To overcome the image depth limitation of OCT, a dual-modal imaging method combing SDOCT with high-frequency ultrasound is proposed and examined in animal cancer models to enhance the sensitivity and staging capabilities for bladder cancer diagnosis. Chapters 5-7 summarize the work on developing Doppler SDOCT for functional studies. Digital-frequency-ramping OCT (DFR-OCT) is developed in the study, which has demonstrated the ability to significantly improve the signal-to-noise ratio and thus sensitivity for retrieving subsurface blood flow imaging. New DFR algorithms and imaging processing methods are discussed to further enhance cortical CBF imaging. Applications of DFR-OCT for brain functional studies

  11. Optical characterization of agricultural pest insects: a methodological study in the spectral and time domains

    Science.gov (United States)

    Li, Y. Y.; Zhang, H.; Duan, Z.; Lian, M.; Zhao, G. Y.; Sun, X. H.; Hu, J. D.; Gao, L. N.; Feng, H. Q.; Svanberg, S.

    2016-08-01

    Identification of agricultural pest insects is an important aspect in insect research and agricultural monitoring. We have performed a methodological study of how spectroscopic techniques and wing-beat frequency analysis might provide relevant information. An optical system based on the combination of close-range remote sensing and reflectance spectroscopy was developed to study the optical characteristics of different flying insects, collected in Southern China. The results demonstrate that the combination of wing-beat frequency assessment and reflectance spectral analysis has the potential to successfully differentiate between insect species. Further, studies of spectroscopic characteristics of fixed specimen of insects, also from Central China, showed the possibility of refined agricultural pest identification. Here, in addition to reflectance recordings also laser-induced fluorescence spectra were investigated for all the species of insects under study and found to provide complementary information to optically distinguish insects. In order to prove the practicality of the techniques explored, clearly fieldwork aiming at elucidating the variability of parameters, even within species, must be performed.

  12. Bacterial Bioluminescence: Spectral Study of the Emitters in the In Vivo Reaction

    NARCIS (Netherlands)

    Matheson, I.B.C.; Lee, J.; Muller, F.

    1981-01-01

    Transient fluorescent species are observed in the bioluminescent reactions of three reduced flavin mononucleotides with aliphatic aldehydes and oxygen, catalyzed by bacterial luciferase. In each case the fluorescence spectral distribution is similar to that of the bioluminescence but is readily

  13. Timing and Spectral Studies of the Peculiar X-ray Binary Circinus X-1

    Energy Technology Data Exchange (ETDEWEB)

    Saz Parkinson, Pablo M.

    2003-08-26

    Circinus X-1 (Cir X-1) is an X-ray binary displaying an array of phenomena which makes it unique in our Galaxy. Despite several decades of observation, controversy surrounds even the most basic facts about this system. It is generally classified as a Neutron Star (NS) Low Mass X-ray Binary (LMXB),though this classification is based primarily on the observation of Type I X-ray Bursts by EXOSAT in 1985. It is believed to be in a very eccentric {approx} 16.5 day orbit, displaying periodic outbursts in the radio and other frequency bands (including optical and IR) which reinforce the notion that this is in fact the orbital period. Cir X-1 lies in the plane of the Galaxy, where optical identification of the companion is made difficult due to dust obscuration. The companion is thought to be a low mass star, though a high mass companion has not currently been ruled out. In this work, the author analyzes recent observations of Cir X-1 made with the Unconventional Stellar Aspect (USA) experiment, as well as archival observations of Cir X-1 made by a variety of instruments, from as early as 1969. The fast (< 1 s) timing properties of Cir X-1 are studied by performing FFT analyses of the USA data. Quasi-Periodic Oscillations (QPOs) in the 1-50 Hz range are found and discussed in the context of recent correlations which question the leading models invoked for their generation. The energy dependence of the QPOs (rms increasing with energy) argues against them being generated in the disk and favors models in which the QPOs are related to a higher energy Comptonizing component. The power spectrum of Cir X-1 in its soft state is compared to that of Cygnus X-1 (Cyg X-1), the prototypical black hole candidate. Using scaling arguments the author argues that the mass of Cir X-1 could exceed significantly the canonical 1.4 M{circle_dot} mass of a neutron star, possibly partly explaining why this object appears so different to other neutron stars. The spectral evolution of Cir X-1 is

  14. Investigation of spectral properties and synthesis characterization of (Z)-4-(2-(4-methoxy-2,3-dimethylbenzylidene)hydrazinyl)benzonitrile compound

    Science.gov (United States)

    Yilmaz, Engin

    2017-11-01

    In this study,(Z)-4-(2-(4-methoxy-2,3-dimethylbenzylidene)hydrazinyl)benzonitrile compound (MDHB) was synthesized and characterized. Spectral properties of MDHB were investigated both theoretical and experimental. Theoretical calculations were made using the Gaussian 09 software. UV-spectra of compound were investigated in different solvent such as chloroform, dioxane, DMSO, methanol, ethanol, diethyl ether, acetic acid and formic acid. Resolution parameters of compound were examined according to Kamlet-Taft and Catalan solvatochromic parameters. Experimental and theoretical NMR results were found to be good. While the R2 values for 1H NMR were calculated as 0.8461, R2 value was computed as 0.9204 for 13C NMR. According to Kamlet- Taft equation, absorbance bands are controlled by hydrogen bond acceptor ability of solvent. As stated in Catalan equation absorbance band is controlled solvent polarizability ability.

  15. Synthesis, spectral characterization and catalytic activity of Co(II) complexes of drugs: Crystal structure of Co(II)-trimethoprim complex

    Science.gov (United States)

    Madhupriya, Selvaraj; Elango, Kuppanagounder P.

    2014-01-01

    New Co(II) complexes with drugs such as trimethoprim (TMP), cimetidine (CTD), niacinamide (NAM) and ofloxacin (OFL) as ligands were synthesized. The complexes were characterized by analytical analysis, various spectral techniques such as FT-IR, UV-Vis, magnetic measurements and molar conductivity. The magnetic susceptibility results coupled with the electronic spectra suggested a tetrahedral geometry for the complexes. The coordination mode of trimethoprim ligand and geometry of the complex were confirmed by single crystal X-ray studies. In this complex the metal ion possesses a tetrahedral geometry with two nitrogen atom from two TMP ligands and two chloride ions coordinated to it. The catalytic activity of the complexes in aryl-aryl coupling reaction was screened and the results indicated that among the four complexes [Co(OFL)Cl(H2O)] exhibited excellent catalytic activity.

  16. Hydroxyapatite catalyzed aldol condensation: Synthesis, spectral linearity, antimicrobial and insect antifeedant activities of some 2,5-dimethyl-3-furyl chalcones

    Science.gov (United States)

    Subramanian, M.; Vanangamudi, G.; Thirunarayanan, G.

    2013-06-01

    A series of 2,5-dimethyl-3-furyl chalcones [2E-1-(2,5-dimethyl-3-furyl)-3-(substituted phenyl)-2-propen-1-ones] have been synthesized by Hydrotalcite catalyzed aldol condensation between 3-acetyl-2,5-dimethylfuron and substituted benzaldehydes. Yields of chalcones are more than 80%. These chalcones were characterized by their physical constants and spectral data. The group frequencies of infrared ν(cm-1) of CO s-cis and s-trans, CH in-plane and out of plane, CHdbnd CH out of plane, lbond2 Cdbnd Crbond2 out of plane modes, NMR chemical shifts δ(ppm) of Hα, Hβ, CO, Cα and Cβ of these chalcones were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analyses. From the results of statistical analyses, the effects of substituents on the group frequencies are explained. Antibacterial, antifungal and insect antifeedant activities of these chalcones have been studied.

  17. Synthesis, spectral, dna binding and cleavage properties of ruthenium(II Schiff base complexes containing PPh3/AsPh3 as co-ligands

    Directory of Open Access Journals (Sweden)

    Sathiyaraj Subbaiyan

    2014-01-01

    Full Text Available A dihydroxybenzaldehyde Schiff base ligands (L1-L3 and its ruthenium(II complexes, have been synthesized and characterized on the basis of elemental analysis, 1H, 13C, 31P NMR, mass spectra, UV-vis and IR spectra. The binding of ruthenium(II complexes have been investigated by UV-vis absorption spectroscopy. The experiment reveals that all the compounds can bind to DNA through an electrostatic mode and intrinsic binding constant (Kb has been estimated under similar set of experimental conditions. Absorption spectral study indicate that the ruthenium(II complexes has intrinsic binding constant in the range of 1.6-8.6 X 104 M-1. The complex [Ru(CO(PPh32(L3] bind more strongly than that of the other complexes. In addition, DNA cleavage property were tested for all ruthenium(II complexes.

  18. Synthesis and Detailed Examination of Spectral Properties of (S and (R-Higenamine 4′-O-β-d-Glucoside and HPLC Analytical Conditions to Distinguish the Diastereomers

    Directory of Open Access Journals (Sweden)

    Eisuke Kato

    2017-08-01

    Full Text Available Higenamine is a tetrahydroisoquinoline present in several plants that has β-adrenergic receptor agonist activity. Study of the biosynthesis of higenamine has shown the participation of norcoclaurine synthase, which controls the stereochemistry to construct the (S-isomer. However, when isolated from nature, higenamine is found as the racemate, or even the (R-isomer. We recently reported the isolation of higenamine 4′-O-β-d-glucoside. Herein, its (R- and (S-isomers were synthesized and compared to precisely determine the stereochemistry of the isolate. Owing to their similar spectral properties, determination of the stereochemistry based on NMR data was considered inappropriate. Therefore, a high-performance liquid chromatography method was established to separate the isomers, and natural higenamine 4′-O-β-d-glucoside was determined to be a mixture of isomers.

  19. Preliminary study on soil to rock spectral ratio method of microtremor measurement in Taipei Basin, Taiwan

    Science.gov (United States)

    Huang, Jyun Yan; Wen, Kuo Liang; Te Chen, Chun; Chang, Shun Chiang

    2014-05-01

    Taipei city is the capital of Taiwan which located in Taipei basin and covered with hundreds meter of alluvial layer that might cause serious damage during huge earthquake. Prediction of possible strong motion levels occurred in the basin then became popular. Engineers most like to use Ground Motion Prediction Equation (GMPEs) as common tool for seismic hazard calculation but GMPEs were usually debated that it can only give one prediction value (PGA, PGV, Sa etc.) rather than time history or spectrum. Seismologists tried theoretical simulation (1D, 2D, 3D method) but could only give low frequency (usually less than 1 Hz) results restricted to that the shallow structures were not clear enough. Resent years, wide frequency simulation techniques such as empirical green's function added stochastic simulation method (hybrid method) were applied to several different purposes but site effect still plays an important role that need to be considered. Traditionally soil to rock spectral ratio of shear wave (denoted as S/R) was widely applied to check basin effect for decades but the technique needs lots of permanent stations and several years to get enough records. If some site located within strong motion network but not close enough to the strong motion stations, interpolate or extrapolate results needed to be used. Wen and Huang (2012) conducted a dense microtremor measurement network in whole Taiwan and applied microtremor H/V to discuss dominant frequency with traditional transfer functions from earthquake shear wave and found good agreement between them. Furthermore, in this study, the ability of soil to rock spectral ratio of microtremor (denoted as MS/R) measurement was tested in Taipei basin. The preliminary results showed MS/R had good agreement with S/R between 0.2 to 5 Hz. And distance from soil site to reference rock site should no greater than 8 to 10 km base on degree of spectrum difference (DSPD) calculation. If the MS/R works that site effect study from this

  20. Growth, density functional theory (DFT) and spectral studies on L-2-aminobutyric acid -biologically active material

    Science.gov (United States)

    Usha, C.; Santhakumari, R.; Meenakshi, R.; Jayasree, R.; Bhuvaneswari, M.

    2017-12-01

    Single crystal of L-2-aminobutyric acid (ABA) was grown from water by slow evaporation at room temperature. The crystalline nature of the grown crystal was confirmed using powder X-ray diffraction studies. The grown crystal was subjected to FT-IR, FT-Raman, 1H NMR and 13C NMR spectral analyses to confirm the presence of functional group and molecular structure respectively. Thermal properties were investigated by thermogravimetric and differential thermal analyses. The range and percentage of optical transmission was ascertained by recording UV-vis-NIR spectrum. The electronic charge distribution and reactivity of the molecules within the crystal were studied by HOMO and LUMO analysis and the molecular electrostatic potential (MEP) of the grown crystal was performed using the B3LYP method. The anti-bacterial activities of the crystal were performed by disk diffusion method against the standard bacteria E. coli. The crystal exhibits good anti-bacterial activity. Second harmonic generation efficiency of the powdered ABA crystal was tested using Nd:YAG laser and it is found to be ∼3.3 times that of potassium dihydrogen orthophosphate.

  1. Differentiating malignant vertebral tumours from non-malignancies with CT spectral imaging: a preliminary study

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Yuan; Zhang, Yan; Lang, Ning; Yuan, Huishu [Peking University Third Hospital, No.49 North Garden Street, Haidian District, Beijing (China); Li, Jianying [GE Healthcare, CT imaging Research Center, Beijing (China)

    2015-10-15

    To investigate the value of dual-energy spectral computed tomography (DESCT) for differentiating malignant vertebral tumours from non-malignancies during venous phase. This study was institutional review board-approved, and written informed consent was obtained from all patients. Thirty-seven patients were examined by DESCT during venous phase. Twenty patients had malignant vertebral tumours, 17 had non-malignant vertebral tumours. The iodine/water densities for the lesion, the lesion-to-muscle ratio, and lesion-to-artery ratio for iodine density measurements were calculated and compared between the two groups with the two-tailed Student t test. A p-value < 0.05 was considered statistically significant. Sensitivity and specificity were compared between the qualitative and quantitative studies. The iodine density, lesion-to-muscle ratio, and lesion-to-artery ratio of the iodine density measurement for malignant vertebral tumours were significantly different from the respective values for non-malignancies (all p < 0.05). Using 0.52 as the threshold value for the lesion-to-artery iodine density ratio, one could obtain sensitivity of 85 % and specificity of 100 % for differentiating malignant vertebral tumours from non-malignancies, significantly higher than the qualitative diagnosis. DESCT imaging enables analysis of a number of additional quantitative CT parameters to improve the accuracy for differentiating malignant vertebral tumours from non-malignancies during venous phase. (orig.)

  2. New 14-membered octaazamacrocyclic complexes of divalent transition metal ions with their antimicrobial and spectral studies

    Science.gov (United States)

    Singh, D. P.; Kumar, Krishan; Sharma, Chetan

    2010-01-01

    A novel series of macrocyclic complexes of the type [M(C 18H 14N 10S 2)X 2]; where M = Co(II), Ni(II), Cu(II), Zn(II) and Cd(II); X = Cl -, NO 3-, CH 3COO - has been synthesized by [2+2] condensation of thiocarbohydrazide and isatin in the presence of divalent metal salts in methanolic medium. The complexes have been characterized with the help of elemental analyses, conductance measurements, magnetic measurements, electronic, NMR and infrared spectral studies. The low value of molar conductance indicates them to be non-electrolytes. On the basis of various studies a distorted octahedral geometry may be proposed for all of these complexes. These metal complexes were also tested for their in vitro antimicrobial activities against some Gram-positive bacteria viz. Staphylococcus aureus, Bacillus subtilis, and some Gram-negative bacteria Escherichia coli, Pseudomonas aeruginosa and some fungal strains Aspergillus niger, Aspergillus flavus (molds), Candida albicans, Saccharomyces cerevisiae (yeasts). The results obtained were compared with standard antibiotic: Ciprofloxacin and the standard antifungal drug: Amphotericin-B.

  3. Synthesis, characterization, photocatalytic and reusability studies of ...

    Indian Academy of Sciences (India)

    This paper presents results of a study on the structural and morphological properties of 2-mercaptoethanol (2-ME) capped ZnS nanoparticles (NPs). The photocatalytic and reusability study of the synthesized NPs to degrade dyes was also done. ZnS semiconductor NPs were synthesized via chemical precipitation route ...

  4. a study of the kinetic of synthesis and crosslinking of methylol ...

    African Journals Online (AJOL)

    Nurudeen

    A STUDY OF THE KINETIC OF SYNTHESIS AND CROSSLINKING. OF METHYLOL MELAMINE. Nurudeen Ayeni and ... Keywords: Kinetic, Synthesis, Melamine. INTRODUCTION. Melamine formaldehyde resins are much ... Liquid Ammonia Pre-treatment on the Crease. Recovery Properties of Resinated Cellulose. Fabrics.

  5. Studies in Solid Phase Peptide Synthesis: A Personal Perspective

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, A R

    2007-06-01

    By the early 1970s it had became apparent that the solid phase synthesis of ribonuclease A could not be generalized. Consequently, virtually every aspect of solid phase peptide synthesis (SPPS) was reexamined and improved during the decade of the 1970s. The sensitive detection and elimination of possible side reactions (amino acid insertion, N{sup {alpha}}-trifluoroacetylation, N{sup {alpha}{var_epsilon}}-alkylation) was examined. The quantitation of coupling efficiency in SPPS as a function of chain length was studied. A new and improved support for SPPS, the 'PAM-resin', was prepared and evaluated. These and many other studies from the Merrifield laboratory and elsewhere increased the general acceptance of SPPS leading to the 1984 Nobel Prize in Chemistry for Bruce Merrifield.

  6. Synthesis of unstable cyclic peroxides for chemiluminescence studies

    Energy Technology Data Exchange (ETDEWEB)

    Bartoloni, Fernando H.; Oliveira, Marcelo A. de; Augusto, Felipe A.; Ciscato, Luiz Francisco M.L.; Bastos, Erick L.; Baader, Wilhelm J., E-mail: wjbaader@iq.usp.br [Universidade de Sao Paulo (USP), SP (Brazil). Inst. de Quimica. Dept. de Quimica Fundamental

    2012-11-15

    Cyclic four-membered ring peroxides are important high-energy intermediates in a variety of chemi and bioluminescence transformations. Specifically, a-peroxy lactones (1,2-dioxetanones) have been considered as model systems for efficient firefly bioluminescence. However, the preparation of such highly unstable compounds is extremely difficult and, therefore, only few research groups have been able to study the properties of these substances. In this study, the synthesis, purification and characterization of three 1,2-dioxetanones are reported and a detailed procedure for the known synthesis of diphenoyl peroxide, another important model compound for the chemical generation of electronically excited states, is provided. For most of these peroxides, the complete spectroscopic characterization is reported here for the first time. (author)

  7. In situ studies of solvothermal synthesis of energy materials.

    Science.gov (United States)

    Jensen, Kirsten M Ø; Tyrsted, Christoffer; Bremholm, Martin; Iversen, Bo B

    2014-06-01

    Solvothermal and hydrothermal synthesis, that is, synthesis taking place in a solvent at elevated temperature and pressure, is a powerful technique for the production of advanced energy materials as it is versatile, cheap, and environmentally friendly. However, the fundamental reaction mechanisms dictating particle formation and growth under solvothermal conditions are not well understood. In order to produce tailor-made materials with specific properties for advanced energy technologies, it is essential to obtain an improved understanding of these processes and, in this context, in situ studies are an important tool as they provide real time information on the reactions taking place. Here, we present a review of the use of powder diffraction and total scattering methods for in situ studies of synthesis taking place under solvothermal and hydrothermal conditions. The experimental setups used for in situ X-ray and neutron studies are presented, and methods of data analysis are described. Special attention is given to the methods used to extract structural information from the data, for example, Rietveld refinement, whole powder pattern modelling and pair distribution function analysis. Examples of in situ studies are presented to illustrate the types of chemical insight that can be obtained. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. IR spectral similarity studies of geothermal silica-bentonite based geopolymer

    Science.gov (United States)

    Olvianas, Muhammad; Widiyatmoko, Achmad; Petrus, Himawan Tri Bayu Murti

    2017-09-01

    The geopolymer structures are formed through polymerization of silicate and aluminate species. The resulted structure is predicted to be similar with zeolite. In this study, geopolymer samples were made from mix powder of geothermal silica and bentonite, then activated with sodium hydroxide and sodium silicate. The effect of silica content, NaOH molarity and curing temperature effect were investigated on geopolymer IR spectra and compared with 3A zeolite IR spectra. Pearson correlation value (r) and spectral similarity correlation (Corr) were used to assess spectra similarity between geopolymer samples and zeolite. The development of geopolymer bond and microstructure of samples were then investigated by FTIR technique. IR spectra of geopolymer samples show that Si-O-Al absorption bands are formed around 900-1300 cm-1 and 400-800 cm-1. The optimum of silica contents, NaOH molarity and curing temperature obtained from the experiment were 140 grams, 10 M and 80°C with Corr value of 922 and compressive strength of 7,59 MPa. Corr value is proven to have relation with material strength. Higher Corr value is identified to have higher aluminosilicate species which contributes to higher compressive strength.

  9. The transition radiation. I: numerical study of the angular and spectral distributions

    International Nuclear Information System (INIS)

    Couillaud, Ch.; Haouat, G.

    1999-01-01

    The optical transition radiation (OTR) is extensively used since many years as a beam visualisation tool on electron accelerators and serves to monitor the beam during its transport adjustment. Its spatial and temporal characteristics make it very attractive as a diagnostic tool and allow measurements of the beam energy and transverse and longitudinal emittances. We present a numerical study of the transition radiation process in the optical region of the radiated spectrum (OTR) and in the higher part (XTR). Spatial and spectral properties are described. They are used to describe experimental observations performed on the ELSA electron-beam facility. An analytical description of the angular distributions of visible radiation emitted by birefringent targets, used as OTR sources, is also proposed. We also analyze interference phenomena between two OTR sources and show the advantage of using this interferometer as a diagnostic tool for tenth MeV electron accelerators. At last, we present an analytical model allowing to design a soft X-ray source to be installed on the ELSA facility and using either a multi-foil stack or a multilayer of two materials of different permittivities. (authors)

  10. A COMPARISON STUDY OF DIFFERENT MARKER SELECTION METHODS FOR SPECTRAL-SPATIAL CLASSIFICATION OF HYPERSPECTRAL IMAGES

    Directory of Open Access Journals (Sweden)

    D. Akbari

    2015-12-01

    Full Text Available An effective approach based on the Minimum Spanning Forest (MSF, grown from automatically selected markers using Support Vector Machines (SVM, has been proposed for spectral-spatial classification of hyperspectral images by Tarabalka et al. This paper aims at improving this approach by using image segmentation to integrate the spatial information into marker selection process. In this study, the markers are extracted from the classification maps, obtained by both SVM and segmentation algorithms, and then are used to build the MSF. The segmentation algorithms are the watershed, expectation maximization (EM and hierarchical clustering. These algorithms are used in parallel and independently to segment the image. Moreover, the pixels of each class, with the largest population in the classification map, are kept for each region of the segmentation map. Lastly, the most reliable classified pixels are chosen from among the exiting pixels as markers. Two benchmark urban hyperspectral datasets are used for evaluation: Washington DC Mall and Berlin. The results of our experiments indicate that, compared to the original MSF approach, the marker selection using segmentation algorithms leads in more accurate classification maps.

  11. Realization and study of spectral properties of the ISGRI gamma-ray camera

    International Nuclear Information System (INIS)

    Limousin, O.

    2001-11-01

    This work evaluates spectroscopic and physical properties of CdTe detectors in view of assembling a large number on a new generation spectro-imager for space gamma-ray astronomy. Study, optimization, realization and calibration of modular detection units of the ISGRI camera are described. After a description of the experimental context of the INTEGRAL program and a review of the physical processes involved in gamma-ray photon detectors, we present an analysis of the properties of CdTe detectors attempting to be so exhaustive as possible. We propose the base point of a global model, which relates charge transport properties, spectral response and possible instabilities in the detectors. We propose a new formulation of the Hecht relation that describes charge loss as a function of the detector charge transport properties. We discuss at length the method of charge loss correction and its consequences on the associated integrated electronics definition. Finally, we illustrate our instrument capabilities using as an example the observation of titanium 44 lines in historical supernovae. (author)

  12. Synthesis and Study of Silver Nanoparticles

    Science.gov (United States)

    Soloman, Sally D.; Bahadory, Mozghan; Jeyarajasingam, Aravindan V.; Rutkowsky, Susan A.; Boritz, Charles; Mulfinger, Lorraine

    2007-01-01

    A laboratory experiment was conducted in which the students synthesized yellow colloidal silver, estimate particle size using visible spectroscopy and studied aggregation effects. The students were thus introduced to nanotechnology along with other topics such as redox chemistry, limiting and excess reactants, spectroscopy and atomic size.

  13. Synthesis, characterization and photophysical studies of β ...

    Indian Academy of Sciences (India)

    Introduction. Porphyrins are an important class of π-conjugated heteroaromatic compounds which exhibit promising applications in diverse fields such as supramolec- ular chemistry,1 catalysis,2 biomimetic models for photosynthesis3 and medicine.4. Additionally, these molecules have been widely used in the study of var-.

  14. Synthesis, spectroscopic, electrochemical and luminescence studies ...

    Indian Academy of Sciences (India)

    Unknown

    with hydrazine to form its N2 complex which is of great interest in the chemistry of N2 fixation. Triazoles are also the subject of extensive studies in view of their synthetic properties and other theoretical aspects 9. Ruthenium (II) polypyridyl complexes have opened a new door for enthusiastic researchers since they act as ...

  15. Synthesis, characterization, photocatalytic and reusability studies of ...

    Indian Academy of Sciences (India)

    Administrator

    2.2 Apparatus for photocatalytic study. Photocatalytic degradation experiment was conducted in dark using self-designed photochemical reactor at room temperature. The apparatus consisted of a cylindrical glass cell of 1 L capacity. A mercury lamp (λ = 300–400 nm) was placed in a glass tube. The lamp and tube were then.

  16. Stopped-flow studies of spectral changes in human serum albumin following an alkaline pH jump

    DEFF Research Database (Denmark)

    Honoré, B

    1987-01-01

    A stopped-flow technique was used to study the spectral changes occurring in albumin following a pH jump from 11.3 to 11.8 at 25 degrees C. Ultraviolet difference spectra between various albumin species participating in the process are reported. These spectra are similar in shape to the differenc...

  17. An Exercise on Calibration: DRIFTS Study of Binary Mixtures of Calcite and Dolomite with Partially Overlapping Spectral Features

    Science.gov (United States)

    De Lorenzi Pezzolo, Alessandra

    2013-01-01

    Unlike most spectroscopic calibrations that are based on the study of well-separated features ascribable to the different components, this laboratory experience is especially designed to exploit spectral features that are nearly overlapping. The investigated system consists of a binary mixture of two commonly occurring minerals, calcite and…

  18. Study on spectral entropy of two-phase flow density wave instability

    International Nuclear Information System (INIS)

    Zhang Zuoyi

    1992-05-01

    By using mathematic proof, spectral entropy calculations for simple examples and a practical two-phase flow system, it has been proved that under the same stochastic input, the output spectral entropy of a stable linear system is in maximum, while for an unstable linear system, its entropy is in relative lower level. Because the spectral entropy describes the output uncertainty of a system and the second law of thermodynamics rules the direction of natural tendency, the spontaneous process can develop only toward the direction of uncertainty increasing, and the opposite is impossible. It seems that the physical mechanism of the stability of a system can be explained as following: Any deviation from its original state of a stable system will reduce the spectral entropy and violate the natural tendency so that the system will return to original state. On the contrary, the deviation from its original state of an unstable system will increase the spectral entropy that will enhance the deviation and the system will be further away from its original state

  19. Feasibility study for transforming spectral and instrumental artifacts for multivariate calibration maintenance.

    Science.gov (United States)

    Ottaway, Joshua; Kalivas, John H

    2015-03-01

    Frequently, a spectral-based multivariate calibration model formed on a particular instrument (primary) needs to predict samples measured on other (secondary) instruments of the same spectral type. This situation is often referred to as calibration maintenance or transfer. A new calibration maintenance approach is developed in this paper using spectral differences between instruments. In conjunction with a sample weighting scheme, spectral differences are piecewise (wavelength window) or full spectrum fitted with modeling terms (correction terms) such as polynomials and derivatives. Results demonstrating the potential usefulness of the new method using a near infrared (NIR) benchmark dataset are presented in this paper. The process does not need a standardization sample set measured in the primary condition. Thus, the new approach is a "hybrid" between the popular methods of extended inverted multiplicative signal correction (EISC) and direct standardization (DS) or piecewise DS (PDS). It is found that prediction errors reduce for samples measured in the secondary condition compared to those based on no calibration transfer. Prediction errors are also comparable to those from a full calibration in the secondary condition. In addition to instrument correction, an extension of the new approach is discussed (but not tested) for predicting new samples changing over time due to new chemical, physical, and environmental measurement conditions including individually or combinations of temperature, sample particle size, and new spectrally responding species.

  20. Synthesis across social innovation case studies

    DEFF Research Database (Denmark)

    Jørgensen, Michael Søgaard; Avelino, Flor; Dorland, Jens

    2016-01-01

    Part 1 is an overview and a comparative analysis of the findings from the 20 case study reports in TRANSIT about aspects of transformative social innovation (TSI). Each of the 20 reports, which the report is based on, includes an analysis of a transnational social innovation network and at least...... two local social innovation initiatives. Part 2 consists of extended abstracts of 8 papers which either focus on empirical phenomena surfacing in different TRANSIT cases (e.g. alternative economic arrangements), take a societal or methodological issue as starting point (e.g. inclusivity or research...

  1. Synthesis of studies for ADS development

    International Nuclear Information System (INIS)

    Alamo, A.; Balbaud, F.; Beauvais, P.Y.; Courouau, J.L.; Debu, P.; Granget, G.; Latge, Ch.; Leray, S.; Mellier, F.; Pillon, S.; Richard, P.; Rimbault, G.; Salvatores, M.; Terlain, A.; Varaine, F.; Warin, D.; Brissot, R.; Doubre, H.; Flocard, H.; Kirchner, Th.; Mueller, A.; Steckmeyer, J.C.; Carluec, B.; Giraud, B.

    2005-01-01

    One goal of the December 1991 law is the exploration of the separation-transmutation means to reduce the impact of minor actinides in high-level radioactive wastes. By 2040, the fourth generation of fast neutron reactors would be capable to entirely recycle their wastes and those previously generated. In the case of a delayed implementation of this type of reactor, a 'double-stratum' scenario foresees the recycling of plutonium in PWR-Mox reactors and the recycling of minor actinides in reactors dedicated to transmutation. The accelerator-driven systems (ADS) are well-adapted for this task and the share of such systems in the nuclear park would represent only 5 to 10% of the overall power. In this note, the technical data of this scenario and the physics of ADS are recalled first. Then, the status of researches in progress, the technological advances and the researches to carry on in the different domains are presented: nuclear data, in particular those linked with spallation phenomena; power accelerators, in particular the works in progress to warrant their reliability and maneuverability; spallation targets, in particular the Megapie experiment with a liquid lead-bismuth target submitted to a powerful proton beam and researches on the related materials technology; the fuels specific to transmutation with no uranium (replaced by an inert support); the project of subcritical facilities studied in the framework of the PDS-XADS European project (first design schemes of gas or lead-bismuth cooled subcritical reactors); the subcritical reactor physics, in particular the joint CNRS-CEA Muse program which has led to the construction of the very first ADS for the testing of measurement and reactivity control methods. Thanks to these studies carried out since about a decade, the design and part of the qualification of the elementary parts (accelerator, target, core) of ADS have made lot of progress. The PDS-XADS studies did not show any incompatibility of ADS principle for

  2. Study on the correlations between color rendering indices and the spectral power distribution.

    Science.gov (United States)

    Lin, Yue; Deng, Zhonghua; Guo, Ziquan; Liu, Zhuguang; Lan, Hai; Lu, Yijun; Cao, Yongge

    2014-06-30

    The intrinsic spectrally resolved sensitivity (ISRS) of color rendering indices (CRIs) is investigated by using spectral loss simulations. It is demonstrated that R(a) exhibits large sensitivities around 444, 480, 564, and 622 nm, while for R(9) the sensitivity peaks are around 461, 581 and 630 nm, which all shift slightly with the correlated color temperature. If considering the ISRS as a bridge between the spectral power distribution of LED and its CRI, one could obtain a high CRI by minimizing the deviation between the shapes of the illuminant spectrum and the reference spectrum, both after modulations by the ISRS as a weighting function. This approach, recommended as a guideline for the spectra design aiming at a high CRI, is described and justified in depth via a mathematical model. This method is spectra-oriented and could largely facilitate the spectra design.

  3. SNR radio spectral index distribution and its correlation with polarization. a case study: the Lupus Loop

    Science.gov (United States)

    Borka Jovanović, V.; Jovanović, P.; Borka, D.

    2017-04-01

    We use radio-continuum all-sky surveys at 1420 and 408 MHz with the aim to investigate properties of the Galactic radio source Lupus Loop. The survey data at 1435 MHz, with the linear polarization of the southern sky, are also used. We calculate properties of this supernova remnant: the brightness temperature, surface brightness and radio spectral index. To determine its borders and to calculate its properties, we use the method we have developed. The non-thermal nature of its radiation is confirmed. The distribution of spectral index over its area is also given. A significant correlation between the radio spectral index distribution and the corresponding polarized intensity distribution inside the loop borders is found, indicating that the polarization maps could provide us information about the distribution of the interstellar medium, and thus could represent one additional way to search for new Galactic loops.

  4. In-vivo studies of new vector velocity and adaptive spectral estimators in medical ultrasound

    DEFF Research Database (Denmark)

    Hansen, Kristoffer Lindskov

    Wave Excitation. Furthermore two different adaptive spectral estimators have been investigated: Blood spectral Power Capon method (BPC) and Blood Amplitude and Phase Estimation method (BAPES). The novel techniques investigated in this thesis are developed to circumvent some of the main limitations...... estimate blood velocities angle independently with a high frame rate. Complex vessel geometries in the cardiovascular system were explored in-vivo on four volunteers using the technique. Flow patterns previously visualized with magnetic resonance angiography and predicted by models of computational fluid...... dynamics, were shown for the first time with ultrasound. Additionally, new information on complex flow patterns in bifurcations and around venous valves was discovered. BPC and BAPES are adaptive spectral estimators which can produce spectrograms with a high temporal resolution. Spectrograms obtained in...

  5. Study on a multi-delay spectral interferometry for stellar radial velocity measurement

    Science.gov (United States)

    Zhang, Kai; Jiang, Haijiao; Tang, Jin; Ji, Hangxin; Zhu, Yongtian; Wang, Liang

    2014-08-01

    High accuracy radial velocity measurement isn't only one of the most important methods for detecting earth-like Exoplanets, but also one of the main developing fields of astronomical observation technologies in future. Externally dispersed interferometry (EDI) generates a kind of particular interference spectrum through combining a fixed-delay interferometer with a medium-resolution spectrograph. It effectively enhances radial velocity measuring accuracy by several times. Another further study on multi-delay interferometry was gradually developed after observation success with only a fixed-delay, and its relative instrumentation makes more impressive performance in near Infrared band. Multi-delay is capable of giving wider coverage from low to high frequency in Fourier field so that gives a higher accuracy in radial velocity measurement. To study on this new technology and verify its feasibility at Guo Shoujing telescope (LAMOST), an experimental instrumentation with single fixed-delay named MESSI has been built and tested at our lab. Another experimental study on multi-delay spectral interferometry given here is being done as well. Basically, this multi-delay experimental system is designed in according to the similar instrument named TEDI at Palomar observatory and the preliminary test result of MESSI. Due to existence of LAMOST spectrograph at lab, a multi-delay interferometer design actually dominates our work. It's generally composed of three parts, respectively science optics, phase-stabilizing optics and delay-calibrating optics. To switch different fixed delays smoothly during observation, the delay-calibrating optics is possibly useful to get high repeatability during switching motion through polychromatic interferometry. Although this metrology is based on white light interferometry in theory, it's different that integrates all of interference signals independently obtained by different monochromatic light in order to avoid dispersion error caused by

  6. Element-specific spectral imaging of multiple contrast agents: a phantom study

    Science.gov (United States)

    Panta, R. K.; Bell, S. T.; Healy, J. L.; Aamir, R.; Bateman, C. J.; Moghiseh, M.; Butler, A. P. H.; Anderson, N. G.

    2018-02-01

    This work demonstrates the feasibility of simultaneous discrimination of multiple contrast agents based on their element-specific and energy-dependent X-ray attenuation properties using a pre-clinical photon-counting spectral CT. We used a photon-counting based pre-clinical spectral CT scanner with four energy thresholds to measure the X-ray attenuation properties of various concentrations of iodine (9, 18 and 36 mg/ml), gadolinium (2, 4 and 8 mg/ml) and gold (2, 4 and 8 mg/ml) based contrast agents, calcium chloride (140 and 280 mg/ml) and water. We evaluated the spectral imaging performances of different energy threshold schemes between 25 to 82 keV at 118 kVp, based on K-factor and signal-to-noise ratio and ranked them. K-factor was defined as the X-ray attenuation in the K-edge containing energy range divided by the X-ray attenuation in the preceding energy range, expressed as a percentage. We evaluated the effectiveness of the optimised energy selection to discriminate all three contrast agents in a phantom of 33 mm diameter. A photon-counting spectral CT using four energy thresholds of 27, 33, 49 and 81 keV at 118 kVp simultaneously discriminated three contrast agents based on iodine, gadolinium and gold at various concentrations using their K-edge and energy-dependent X-ray attenuation features in a single scan. A ranking method to evaluate spectral imaging performance enabled energy thresholds to be optimised to discriminate iodine, gadolinium and gold contrast agents in a single spectral CT scan. Simultaneous discrimination of multiple contrast agents in a single scan is likely to open up new possibilities of improving the accuracy of disease diagnosis by simultaneously imaging multiple bio-markers each labelled with a nano-contrast agent.

  7. The transition radiation. I: numerical study of the angular and spectral distributions; Le rayonnement de transition optique. I: etude numerique des distributions angulaires et spectrales

    Energy Technology Data Exchange (ETDEWEB)

    Couillaud, Ch.; Haouat, G

    1999-07-01

    The optical transition radiation (OTR) is extensively used since many years as a beam visualisation tool on electron accelerators and serves to monitor the beam during its transport adjustment. Its spatial and temporal characteristics make it very attractive as a diagnostic tool and allow measurements of the beam energy and transverse and longitudinal emittances. We present a numerical study of the transition radiation process in the optical region of the radiated spectrum (OTR) and in the higher part (XTR). Spatial and spectral properties are described. They are used to describe experimental observations performed on the ELSA electron-beam facility. An analytical description of the angular distributions of visible radiation emitted by birefringent targets, used as OTR sources, is also proposed. We also analyze interference phenomena between two OTR sources and show the advantage of using this interferometer as a diagnostic tool for tenth MeV electron accelerators. At last, we present an analytical model allowing to design a soft X-ray source to be installed on the ELSA facility and using either a multi-foil stack or a multilayer of two materials of different permittivities. (authors)

  8. Realization and study of spectral properties of the ISGRI gamma-ray camera; Mise en oeuvre et etude des proprietes spectrales de la gamma-camera ISGRI

    Energy Technology Data Exchange (ETDEWEB)

    Limousin, O

    2001-11-01

    This work evaluates spectroscopic and physical properties of CdTe detectors in view of assembling a large number on a new generation spectro-imager for space gamma-ray astronomy. Study, optimization, realization and calibration of modular detection units of the ISGRI camera are described. After a description of the experimental context of the INTEGRAL program and a review of the physical processes involved in gamma-ray photon detectors, we present an analysis of the properties of CdTe detectors attempting to be so exhaustive as possible. We propose the base point of a global model, which relates charge transport properties, spectral response and possible instabilities in the detectors. We propose a new formulation of the Hecht relation that describes charge loss as a function of the detector charge transport properties. We discuss at length the method of charge loss correction and its consequences on the associated integrated electronics definition. Finally, we illustrate our instrument capabilities using as an example the observation of titanium 44 lines in historical supernovae. (author)

  9. Evaluation Study of Fast Spectral Estimators Using In-vivo Data

    DEFF Research Database (Denmark)

    Hansen, Kristoffer Lindskov; Gran, Fredrik; Pedersen, Mads Møller

    2009-01-01

    Spectrograms in medical ultrasound are usually estimated with Welch's method (WM). To achieve sufficient spectral resolution and contrast, WM uses an observation window (OW) of up to 256 emissions per estimate. Two adaptive filterbank methods have been suggested to reduce the OW: Blood spectral...... Power Capon (BPC) and the Blood Amplitude and Phase EStimation method (BAPES). Ten volunteers were scanned over the carotid artery. From each dataset, 28 spectrograms were produced by combining four approaches (WM with a Hanning window (W.HAN), WM with a boxcar window (W.BOX), BPC and BAPES) and seven...

  10. An empirical study on the performance of spectral manifold learning techniques

    DEFF Research Database (Denmark)

    Mysling, Peter; Hauberg, Søren; Pedersen, Kim Steenstrup

    2011-01-01

    In recent years, there has been a surge of interest in spectral manifold learning techniques. Despite the interest, only little work has focused on the empirical behavior of these techniques. We construct synthetic data of variable complexity and observe the performance of the techniques as they ......In recent years, there has been a surge of interest in spectral manifold learning techniques. Despite the interest, only little work has focused on the empirical behavior of these techniques. We construct synthetic data of variable complexity and observe the performance of the techniques...

  11. Study of the heat transfers spectral radiation - conduction - natural convection in hybrid photovoltaic systems for buildings

    International Nuclear Information System (INIS)

    Muresan, C.

    2005-01-01

    numerical solution of the Radiative Transfer Equation in diffused part in the case of a mono-dimensional plane geometry. The directional discretizations of each layer are selected in such a way that the discrete directions of one of the layers correspond to those refracted of the close layer and this makes it possible to avoid the use of approximations related to non coincidence of the discrete directions of a layer with those refracted by the close layer. Directional quadratures are then established in an adaptive way in each layer and for each spectral frequency. The results obtained are validated by an approach of Monte Carlo type. The coupling of this model with a Low Reynolds number RANS model will be carried out. This will be done in order to study the convective heat transfers in natural convection for configurations of double facade integration under consideration within the framework of PRI CNRS. The comparison of this model is carried out for experimental configurations of vertical channel type uniformly heated in natural convection. The prospects for this stage are multiple and consist of analyzing the influence of the mode of flow on the thermal pulling of the hybrid components, the effects of the positioning of modules statement, the air gap between the two frontages and the boundary conditions thermal generated by the modules. Lastly, in order to supplement the energy balance of such components and more particularly that governs the thermal behavior of a photosensitive cell, the electric phenomenon of conversion is approached in adequacy with the level of modeling of the coupled thermal transfers radiation - conduction within a PV component. To carry this out, we can consider the local power of spectral radiation absorbed and converted into electric output. (author)

  12. Spectral, morphological and antibacterial studies of β-cyclodextrin stabilized silver - Chitosan nanocomposites

    Science.gov (United States)

    Punitha, N.; Ramesh, P. S.; Geetha, D.

    2015-02-01

    The aim of the study is to investigate the antibacterial properties and characterization of β-cyclodextrin (β-CD) stabilized silver - chitosan nanocomposite (Ag-Cts NCs). An effective and eco-friendly technique for the synthesis of Ag-Cts NCs in the presence of a strong stabilizing agent β-CD is described. The well formed nanocomposites were characterized by the Ultraviolet Visible spectroscopy (UV-Vis), X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Photoluminescence spectroscopy (PL), Scanning electron microscope (SEM/EDS), Atomic force microscope (AFM), High resolution transmission electron microscope (HR-TEM) and Zeta potential measurement (ZP). The results confirmed that the poly dispersed Ag-Cts NCs are less than 15 nm in size with spherical shape and show good stability. The antibacterial activity was also investigated and β-CD coated Ag-Cts NCs showed a promising bacterial activity against gram negative Escherichia coli (E. coli) and gram positive Staphylococcus aureus (S. aureus) micro-organism.

  13. Laboratory Study of Aliphatic Organic Spectral Signatures and Applications to Ceres and Primitive Asteroids

    Science.gov (United States)

    Kaplan, H. H.; Milliken, R.

    2017-12-01

    Aliphatic organics were recently discovered on the surface of Ceres with Dawn's Visible and InfraRed (VIR) mapping spectrometer, which has implications for prebiotic chemistry of Ceres and other asteroids. An absorption in the spectrum at 3.4 µm was used to identify and provide initial estimates of the amount of organic material. We have studied the 3.4 µm absorption in reflectance spectra of bulk rock and meteorite powders and isolated organic materials in the NASA RELAB facility at Brown University to determine how organic composition and abundance affects absorption strength. Reflectance spectra of insoluble organic matter (IOM) extracted from carbonaceous chondrites were measured from 0.35 - 25 µm. These IOM have known elemental (H, C, N, O) and isotopic compositions that were compared with spectral properties. Bulk meteorites were measured as chips and particulates over the same wavelength range. Despite overall low reflectance values (albedo specifically those with a H/C ratio greater than 0.4. The absorption strength (band depth) increases with increasing H/C ratio, which corroborates similar findings in our previous study of sedimentary rocks and isolated kerogens. The absorption strength in the bulk meteorites reflects both H/C of the IOM and the concentration of IOM in the inorganic (mineral) matrix. Overlapping absorptions from carbonates and phyllosilicates (OH/H2O) can also influence the aliphatic organic bands in bulk rocks and meteorites. This laboratory work provides a foundation that can be used to constrain the composition of Ceres' aliphatic organic matter using band depth as a proxy for H/C. Reflectance spectra collected for this work will also be used to model the Dawn VIR data and obtain abundance and H/C estimates assuming that the organic material on Ceres' surface is similar to carbonaceous chondrite IOM. These spectra and findings can aid interpretation of reflectance data from Ceres and other asteroid missions, such as OSIRIS-REx and

  14. Spectral, stoichiometric ratio, physicochemical, polarity and photostability studies of newly synthesized chalcone dye in organized media

    Energy Technology Data Exchange (ETDEWEB)

    Marwani, Hadi M., E-mail: hmarwani@kau.edu.sa [Department of Chemistry, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Asiri, Abdullah M. [Department of Chemistry, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Center of Excellence for Advanced Materials Research, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia); Khan, Salman A. [Department of Chemistry, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589 (Saudi Arabia)

    2013-04-15

    The main focus of this study was to investigate spectroscopic properties, stoichiometric ratios, physicochemical parameters, polarity and photostability behaviors of newly synthesized chalcone dye in organized media. The chalcone dye, 1-(2,5-Dimethyl-thiophen-3-yl)-3-(9-etnyl-9H-carbazol-3-yl)-propenone (DTEP), was prepared by the reaction of carbazole aldehyde with 3-acetyl-2,5-dimethythiophene. Data obtained from FT-IR, {sup 1}H-–NMR, {sup 13}C-NMR and elemental analysis were consistent with chemical structure of newly prepared DTEP. Increases in fluorescence intensities of DTEP with cetyltrimethyl ammonium bromide (CTAB) were observed. In comparison of fluorescence intensities for DTEP with CTAB, reductions in fluorescence intensities for DTEP with sodium dodecyl sulfate (SDS) were noticed under the same experimental and instrumental conditions. Additionally, Benesi–Hildebrand method was applied to determine stoichiometric ratios and association constants of DTEP with CTAB and SDS. Stern–Volmer plot was used in order to further confirm the stoichiometric ratio and association constant of DTEP with SDS. Physicochemical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment and fluorescence quantum yield of DTEP were also determined. Fluorescence polarity study displayed that DTEP was sensitive to the polarity of the microenvironment provided by different solvents. Finally, fluorescence steady-state measurements revealed that DTEP has high photostability against photobleaching. -- Highlights: ► Mechanistic understanding of molecular structure of newly synthesized chalcone dye. ► Exploring spectral behaviors and physicochemical parameters of chalcone dye. ► Determination of stoichiometric ratios and association constants of chalcone dye. ► Determination of fluorescence quantum yield in different solvents. ► High photostability against photobleaching of chalcone dye was observed.

  15. Application of spectral hole burning to the study of in vitro cellular systems

    Energy Technology Data Exchange (ETDEWEB)

    Milanovich, Nebojsa [Iowa State Univ., Ames, IA (United States)

    1999-11-08

    Chapter 1 of this thesis describes the various stages of tumor development and a multitude of diagnostic techniques used to detect cancer. Chapter 2 gives an overview of the aspects of hole burning spectroscopy important for its application to the study of cellular systems. Chapter 3 gives general descriptions of cellular organelles, structures, and physical properties that can serve as possible markers for the differentiation of normal and cancerous cells. Also described in Chapter 3 are the principles of cryobiology important for low temperature spectroscopy of cells, characterization of MCF-10F (normal) and MCF-7 (cancer) cells lines which will serve as model systems, and cellular characteristics of aluminum phthalocyanine tetrasulfonate (APT), which was used as the test probe. Chapters 4 and 5 are previously published papers by the author pertaining to the results obtained from the application of hole burning to the study of cellular systems. Chapter 4 presents the first results obtained by spectral hole burning of cellular systems and Chapter 5 gives results for the differentiation of MCF-10F and MCF-7 cells stained with APT by an external applied electric (Stark) field. A general conclusion is presented in Chapter 6. Appendices A and B provide additional characterization of the cell/probe model systems. Appendix A describes the uptake and subcellular distribution of APT in MCF-10F and MCF-7 cells and Appendix B compares the hole burning characteristics of APT in cells when the cells are in suspension and when they are examined while adhering to a glass coverslip. Appendix C presents preliminary results for a novel probe molecule, referred to as a molecular thumbtack, designed by the authors for use in future hole burning applications to cellular systems.

  16. Spectral, stoichiometric ratio, physicochemical, polarity and photostability studies of newly synthesized chalcone dye in organized media

    International Nuclear Information System (INIS)

    Marwani, Hadi M.; Asiri, Abdullah M.; Khan, Salman A.

    2013-01-01

    The main focus of this study was to investigate spectroscopic properties, stoichiometric ratios, physicochemical parameters, polarity and photostability behaviors of newly synthesized chalcone dye in organized media. The chalcone dye, 1-(2,5-Dimethyl-thiophen-3-yl)-3-(9-etnyl-9H-carbazol-3-yl)-propenone (DTEP), was prepared by the reaction of carbazole aldehyde with 3-acetyl-2,5-dimethythiophene. Data obtained from FT-IR, 1 H-–NMR, 13 C-NMR and elemental analysis were consistent with chemical structure of newly prepared DTEP. Increases in fluorescence intensities of DTEP with cetyltrimethyl ammonium bromide (CTAB) were observed. In comparison of fluorescence intensities for DTEP with CTAB, reductions in fluorescence intensities for DTEP with sodium dodecyl sulfate (SDS) were noticed under the same experimental and instrumental conditions. Additionally, Benesi–Hildebrand method was applied to determine stoichiometric ratios and association constants of DTEP with CTAB and SDS. Stern–Volmer plot was used in order to further confirm the stoichiometric ratio and association constant of DTEP with SDS. Physicochemical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment and fluorescence quantum yield of DTEP were also determined. Fluorescence polarity study displayed that DTEP was sensitive to the polarity of the microenvironment provided by different solvents. Finally, fluorescence steady-state measurements revealed that DTEP has high photostability against photobleaching. -- Highlights: ► Mechanistic understanding of molecular structure of newly synthesized chalcone dye. ► Exploring spectral behaviors and physicochemical parameters of chalcone dye. ► Determination of stoichiometric ratios and association constants of chalcone dye. ► Determination of fluorescence quantum yield in different solvents. ► High photostability against photobleaching of chalcone dye was observed

  17. Synthesis and study of conjugated polymers containing Di- or Triphenylamine

    Energy Technology Data Exchange (ETDEWEB)

    Sukwattanasinitt, M.

    1996-06-21

    This thesis consists of two separate parts. The first part addresses the synthesis and study of conjugated polymers containing di- or triphenylamine. Two types of polymers: linear polymers and dendrimers, were synthesized. The polymers were characterized by NMR, IR, UV, GPC, TGA and DSC. Electronic and optical properties of the polymers were studied through the conductivity measurements and excitation- emission spectra. the second part of this thesis deals with a reaction of electron-rich acetylenes with TCNE. The discovery of the reaction from charge transfer complex studies and the investigation of this reaction on various electron-rich acetylenes are presented.

  18. Synthesis of mononuclear copper(II) complexes of acyclic Schiff's base ligands: Spectral, structural, electrochemical, antibacterial, DNA binding and cleavage activity

    Science.gov (United States)

    Jayamani, Arumugam; Thamilarasan, Vijayan; Sengottuvelan, Nallathambi; Manisankar, Paramasivam; Kang, Sung Kwon; Kim, Young-Inn; Ganesan, Vengatesan

    2014-03-01

    The mononuclear copper(II) complexes (1&2) of ligands L1 [N,N";-bis(2-hydroxy-5-methylbenzyl)-1,4-bis(3-iminopropyl)piperazine] or L2 [N,N";-bis(2-hydroxy-5-bromobenzyl)-1,4-bis(3-iminopropyl) piperazine] have been synthesized and characterised. The single crystal X-ray study had shown that ligands L1 and L2 crystallize in a monoclinic crystal system with P21/c space group. The mononuclear copper(II) complexes show one quasireversible cyclic voltammetric response near cathodic region (-0.77 to -0.85 V) in DMF assignable to the Cu(II)/Cu(I) couple. Binding interaction of the complexes with calf thymus DNA (CT DNA) investigated by absorption studies and fluorescence spectral studies show good binding affinity to CT DNA, which imply both the copper(II) complexes can strongly interact with DNA efficiently. The copper(II) complexes showed efficient oxidative cleavage of plasmid pBR322 DNA in the presence of 3-mercaptopropionic acid as reducing agent through a mechanistic pathway involving formation of singlet oxygen as the reactive species. The Schiff bases and their Cu(II) complexes have been screened for antibacterial activities which indicates that the complexes exhibited higher antimicrobial activity than the free ligands.

  19. Study of the synthesis of ammonia over technetium catalysts

    International Nuclear Information System (INIS)

    Spetsyn, V.I.; Mikhailenko, I.E.; Pokrovskaya, O.V.

    1982-01-01

    The catalytic properties of technetium in the synthesis of ammonia have been studied in the present work. Technetium catalysts according to specific yield surpass all know catalysts for the synthesis of ammonia. The enhanced catalytic activity of technetium compared to manganese and rhenium is apparently explained by the presence of the radioactivity of 99 Tc. The processes of adsorption, orientation of the adsorbed molecules, and their binding energies can differ during radiation action. Irradiation of the carrier, occurring through #betta#-emission of 99 Tc, with doses of 4-8 x 10 3 rad/day, increased the number of defects in the crystal structure where stabilization of technetium atoms was possible. The existence of charged centers can cause an increase in the dissociative chemisorption of nitrogen, which is the limiting stage of the process. Technetium catalysts possess a stable catalytic activity and do not require its restoration for several months. Results suggest that the use of technetium as a catalyst for the synthesis of ammonia has real advantages and potential possibilities

  20. Model studies of methanol synthesis on copper catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, J.; Nakamura, I.; Uchijima, T. [Univ. of Tsukuba, Ibaraki (Japan); Watanabe, T. [Research Inst. of Innovative Technology for Earth, Kyoto (Japan); Fujitani, T. [National Inst. for Resources and Environment, Ibaraki (Japan)

    1996-12-31

    The synthesis of methanol by the hydrogenation of CO{sub 2} over Zn-deposited and Zn-free copper surfaces has been studied using an XPS apparatus combined with a high-pressure flow reactor (18 atm). It was shown that the Zn deposited on Cu(111) and poly-Cu acted as a promoter for methanol synthesis, while the Zn on Cu(110) and Cu(100) had no such a promotional effect. The turnover frequency (TOF) for Zn/Cu(111) linearly increased with Zn coverage below {Theta}Zn--0.19, and then decreased above {Theta}Zn=0.20. The optimum TOF obtained at {Theta}Zn--0-19 was thirteen-fold larger than TOF for the Zn-free Cu(111) surface. On the other hand, no promotional effect of Zn was observed for the reverse water-gas shift reaction on all the surfaces. The results indicate the formation of special sites for methanol synthesis on Zn/Cu(111). The Zn-deposited Cu(111) can be regarded as a model of Cu/ZnO catalysts because the TOF and the activation energy for methanol formation over the Zn-deposited Cu(111) were in fairly good agreement with those for the Cu/ZnO powder catalysts. The post-reaction surface analysis by XPS showed the formation of formate species (HCOOa). The formate coverage was proportional to the activity for methanol formation below {Theta}Zn=0.20, suggesting that the hydrogenation of the formate species is the rate-determining step of methanol formation. The formate species was stabilized by Zn species on Cu(111) in the absence of ZnO species. STM results on the Zn-deposited Cu(111) suggested the formation of a Cu-Zn surface alloy. The presence of special sites for methanol synthesis was also indicated in the results of powder catalysts.

  1. Synthesis of nickel nanoparticles by hydrazine reduction: mechanistic study and continuous flow synthesis

    International Nuclear Information System (INIS)

    Eluri, Ravi; Paul, Brian

    2012-01-01

    The continuous synthesis of nickel nanoparticles (NiNPs) in a static microchannel T-mixer by the reduction of NiCl 2 ·6H 2 O in the presence of ethylene glycol without a stabilizing/capping agent was investigated. The nanoparticles were formed in accordance with the modified polyol process with hydrazine used as a reducing agent and NaOH as a catalyst for nanoparticle formation. The reaction mechanism for NiNP formation was investigated in batch with the help of Fourier transform infrared spectroscopy and X-ray diffraction (XRD) techniques. Parameters were found for reducing reaction times from 60 to 1 min. The effects of temperature (60–120 °C) and NaOH concentration (0.1 and 0.5 M) on batch-processed particle characteristics were also studied using XRD, transmission electron microscope and electron microprobe analysis. Average particle size was reduced from 9.2 ± 2.9 to 5.4 ± 0.9 nm at higher temperature and NaOH concentration. Adaptation of this chemistry to a static microchannel T-mixer for continuous synthesis resulted in smooth, spherical particles. Increases in the reaction temperature from 120 to 130 °C resulted in a narrow size distribution of 5.3 ± 1 nm and also resulted in magnetic properties of 5.1 emu/g (saturation magnetization), 1.1 emu/g (remanent magnetization), and 62 Oe (coercivity).

  2. Synthesis, antimicrobial evaluation and QSAR studies of gallic acid derivatives

    Directory of Open Access Journals (Sweden)

    Anurag Khatkar

    2017-05-01

    Full Text Available A series of gallic acid derivatives (1–33 was synthesized and characterized by physicochemical and spectral means. The synthesized compounds were evaluated in vitro for their antimicrobial activity against different Gram positive and Gram negative bacterial and fungal strains by the tube dilution method. Results of antimicrobial screening indicated that compound 6 was the most active antimicrobial agent (pMICam = 1.92 μM/mL. The results of QSAR studies demonstrated that antibacterial, antifungal and overall antimicrobial activities of synthesized gallic acid derivatives were governed by the electronic parameters, cosmic total energy (Cos E. and nuclear energy (Nu. E..

  3. Using Visible Spectral Information to Predict Long-Wave Infrared Spectral Emissivity: A Case Study over the Sokolov Area of the Czech Republic with an Airborne Hyperspectral Scanner Sensor

    Directory of Open Access Journals (Sweden)

    Gila Notesco

    2013-11-01

    Full Text Available Remote-sensing platforms are often comprised of a cluster of different spectral range detectors or sensors to benefit from the spectral identification capabilities of each range. Missing data from these platforms, caused by problematic weather conditions, such as clouds, sensor failure, low temporal coverage or a narrow field of view (FOV, is one of the problems preventing proper monitoring of the Earth. One of the possible solutions is predicting a detector or sensor’s missing data using another detector/sensor. In this paper, we propose a new method of predicting spectral emissivity in the long-wave infrared (LWIR spectral region using the visible (VIS spectral region. The proposed method is suitable for two main scenarios of missing data: sensor malfunctions and narrow FOV. We demonstrate the usefulness and limitations of this prediction scheme using the airborne hyperspectral scanner (AHS sensor, which consists of both VIS and LWIR spectral regions, in a case study over the Sokolov area, Czech Republic.

  4. 31 P-NMR, 77 Se-NMR and mass spectral studies on some ...

    African Journals Online (AJOL)

    A series of aminophosphines were prepared by controlled condensation reaction between PCl3 or PhPCl2 and amines, and they were converted into the corresponding chalcogenides. 31P-NMR and mass spectral data were collected for characterization of these asymmetrically substituted phosphines, and in addition, ...

  5. MULTI-WAVELENGTH POLARIMETRY AND SPECTRAL STUDY OF THE M87 JET DURING 2002–2008

    Energy Technology Data Exchange (ETDEWEB)

    Avachat, Sayali S.; Perlman, Eric S. [Department of Physics and Space Sciences, 150 W. University Boulevard, Florida Institute of Technology, Melbourne, FL 32901 (United States); Adams, Steven C. [Department of Physics and Astronomy, University of Georgia, Athens, GA, 30605 (United States); Cara, Mihai; Sparks, William B. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Owen, Frazer [National Radio Astronomy Observatory, Array Operations Center, P.O. Box O, 1003 Lopezville Road, Socorro, NM 87801-0387 (United States); Georganopoulos, Markos [Department of Physics, University of Maryland Baltimore County, 1000 Hilltop Circle, Baltimore, MD 21250 (United States)

    2016-11-20

    We present a multi-wavelength polarimetric and spectral study of the M87 jet obtained at sub-arcsecond resolution between 2002 and 2008. The observations include multi-band archival VLA polarimetry data sets along with Hubble Space Telescope ( HST ) imaging polarimetry. These observations have better angular resolution than previous work by factors of 2–3 and in addition, allow us to explore the time domain. These observations envelop the huge flare in HST-1 located 0.″86 from the nucleus. The increased resolution enables us to view more structure in each knot, showing several resolved sub-components. We also see apparent helical structure in the polarization vectors in several knots, with polarization vectors turning either clockwise or counterclockwise near the flux maxima in various places as well as showing filamentary undulations. Some of these characteristics are correlated with flux and polarization maxima while others are not. We also examine the total flux and fractional polarization and look for changes in both radio and optical since the observations of Perlman et al. (1999) and test them against various models based on shocks and instabilities in the jet. Our results are broadly consistent with previous spine-sheath models and recollimation shock models; however, they require additional combinations of features to explain the observed complexity, e.g., shearing of magnetic field lines near the jet surface and compression of the toroidal component near shocks. In particular, in many regions we find apparently helical features both in total flux and polarization. We discuss the physical interpretation of these features.

  6. Accuracy of bone mineral density quantification using dual-layer spectral detector CT: a phantom study

    Energy Technology Data Exchange (ETDEWEB)

    Hamersvelt, Robbert W. van; Schilham, Arnold M.R.; Harder, Annemarie M. den; Leiner, Tim; Jong, Pim A. de; Willemink, Martin J. [University Medical Centre Utrecht, Department of Radiology, P.O. Box 85500, Utrecht (Netherlands); Engelke, Klaus [University of Erlangen-Nuernberg, Institute of Medical Physics, Erlangen (Germany); Keizer, Bart de [University Medical Centre Utrecht, Department of Nuclear Medicine, Utrecht (Netherlands); Verhaar, Harald J. [University Medical Centre Utrecht, Department of Geriatric Medicine, Utrecht (Netherlands)

    2017-10-15

    To investigate the accuracy of bone mineral density (BMD) quantification using dual-layer spectral detector CT (SDCT) at various scan protocols. Two validated anthropomorphic phantoms containing inserts of 50-200 mg/cm{sup 3} calcium hydroxyapatite (HA) were scanned using a 64-slice SDCT scanner at various acquisition protocols (120 and 140 kVp, and 50, 100 and 200 mAs). Regions of interest (ROIs) were placed in each insert and mean attenuation profiles at monochromatic energy levels (90-200 keV) were constructed. These profiles were fitted to attenuation profiles of pure HA and water to calculate HA concentrations. For comparison, one phantom was scanned using dual energy X-ray absorptiometry (DXA). At both 120 and 140 kVp, excellent correlations (R = 0.97, P < 0.001) were found between true and measured HA concentrations. Mean error for all measurements at 120 kVp was -5.6 ± 5.7 mg/cm{sup 3} (-3.6 ± 3.2%) and at 140 kVp -2.4 ± 3.7 mg/cm{sup 3} (-0.8 ± 2.8%). Mean measurement errors were smaller than 6% for all acquisition protocols. Strong linear correlations (R{sup 2} ≥ 0.970, P < 0.001) with DXA were found. SDCT allows for accurate BMD quantification and potentially opens up the possibility for osteoporosis evaluation and opportunistic screening in patients undergoing SDCT for other clinical indications. However, patient studies are needed to extend and translate our findings. (orig.)

  7. [Study on Application of NIR Spectral Information Screening in Identification of Maca Origin].

    Science.gov (United States)

    Wang, Yuan-zhong; Zhao, Yan-li; Zhang, Ji; Jin, Hang

    2016-02-01

    Medicinal and edible plant Maca is rich in various nutrients and owns great medicinal value. Based on near infrared diffuse reflectance spectra, 139 Maca samples collected from Peru and Yunnan were used to identify their geographical origins. Multiplication signal correction (MSC) coupled with second derivative (SD) and Norris derivative filter (ND) was employed in spectral pretreatment. Spectrum range (7,500-4,061 cm⁻¹) was chosen by spectrum standard deviation. Combined with principal component analysis-mahalanobis distance (PCA-MD), the appropriate number of principal components was selected as 5. Based on the spectrum range and the number of principal components selected, two abnormal samples were eliminated by modular group iterative singular sample diagnosis method. Then, four methods were used to filter spectral variable information, competitive adaptive reweighted sampling (CARS), monte carlo-uninformative variable elimination (MC-UVE), genetic algorithm (GA) and subwindow permutation analysis (SPA). The spectral variable information filtered was evaluated by model population analysis (MPA). The results showed that RMSECV(SPA) > RMSECV(CARS) > RMSECV(MC-UVE) > RMSECV(GA), were 2. 14, 2. 05, 2. 02, and 1. 98, and the spectral variables were 250, 240, 250 and 70, respectively. According to the spectral variable filtered, partial least squares discriminant analysis (PLS-DA) was used to build the model, with random selection of 97 samples as training set, and the other 40 samples as validation set. The results showed that, R²: GA > MC-UVE > CARS > SPA, RMSEC and RMSEP: GA Maca. The method was aimed to lay the foundation for traditional Chinese medicine identification and quality evaluation.

  8. Spectral studies related to dissociation of HBr, HCl and BrO

    Science.gov (United States)

    Ginter, M. L.

    1986-01-01

    Concern over halogen catalyzed decomposition of O3 in the upper atmosphere has generated need for data on the atomic and molecular species X, HX and XO (where X is Cl and Br). Of special importance are Cl produced from freon decomposition and Cl and Br produced from natural processes and from other industrial and agricultural chemicals. Basic spectral data is provided on HCl, HBr, and BrO necessary to detect specific states and energy levels, to enable detailed modeling of the processes involving molecular dissociation, ionization, etc., and to help evaluate field experiments to check the validity of model calculations for these species in the upper atmosphere. Results contained in four published papers and two major spectral compilations are summarized together with other results obtained.

  9. Kernel-based framework for spectral dimensionality reduction and clustering formulation: A theoretical study

    Directory of Open Access Journals (Sweden)

    Xiomara Patricia BLANCO VALENCIA

    2017-03-01

    Full Text Available This work outlines a unified formulation to represent spectral approaches for both dimensionality reduction and clustering. Proposed formulation starts with a generic latent variable model in terms of the projected input data matrix.Particularly, such a projection maps data onto a unknown high-dimensional space. Regarding this model, a generalized optimization problem is stated using quadratic formulations and a least-squares support vector machine.The solution of the optimization is addressed through a primal-dual scheme.Once latent variables and parameters are determined, the resultant model outputs a versatile projected matrix able to represent data in a low-dimensional space, as well as to provide information about clusters. Particularly, proposedformulation yields solutions for kernel spectral clustering and weighted-kernel principal component analysis.

  10. Ultrasonic and spectral studies on charge transfer complexes of anisole and certain aromatic amines

    Science.gov (United States)

    Rajesh, R.; Raj Muhamed, R.; Justin Adaikala Baskar, A.; Kannappan, V.

    2016-10-01

    Stability constants of two complexes of anisole with aniline and N-methylaniline (NMA) are determined from the measured ultrasonic velocity in n-hexane medium at four different temperatures. Acoustic and excess thermo acoustic parameters [excess ultrasonic velocity (uE), excess molar volume (VE), excess internal pressure (πiE)] are reported for these systems at four different temperatures. The trend in acoustic and excess parameters with concentration in the two systems establishes the formation of hydrogen bonded complexes between anisole and the two amines. Thermodynamic properties are computed for the two complexes from the variation in K with temperature. The formation of these complexes is also established by UV spectral method and their spectral characteristics and stability constants are determined. K values of these complexes obtained by ultrasonic and UV spectroscopic techniques agree well. Aniline forms more stable complex than N-methylaniline with anisole in n-hexane medium.

  11. Change Detection Analysis With Spectral Thermal Imagery

    National Research Council Canada - National Science Library

    Behrens, Richard

    1998-01-01

    ... (LWIR) region. This study used analysis techniques of differencing, histograms, and principal components analysis to detect spectral changes and investigate the utility of spectral change detection...

  12. An accurate and efficient spectral method for studies of the dynamical properties of forced, circular shear layers

    DEFF Research Database (Denmark)

    Lynov, Jens-Peter; Bergeron, K.; Coutsias, E.A.

    2000-01-01

    We present an efficient spectral method for studies of fundamental vortex dynamics in forced, circular shear flows. The numerical results are compared with results from experiments carried out in rotating flows with both planar and parabolic geometries, Due to the high accuracy of the code, it ca...... be determined whether a two-dimensional model is sufficient to describe the experimental results. (C) 2000 IMACS. Published by Elsevier Science B.V. All rights reserved....

  13. Synthesis, spectral (IR, UV-Vis and variable temperature NMR) characterization and crystal structure of (N-benzyl-N-furfuryldithicarbamato-S,S‧)(thiocyanato-N)(triphenylphosphine)nickel(II)

    Science.gov (United States)

    Valarmathi, P.; Thirumaran, S.; Sarmal, Lovely; Kant, Rajni

    2014-08-01

    Planar (N-benzyl-N-furfuryldithiocarbamato-S,S‧)(thiocyanato-N)(triphenylphospine)nickel(II), [Ni(bfdtc)(NCS)(PPh3)], (1) was prepared from bis(N-benzyl-N-furfuryldithiocarbamato-S,S‧)nickel(II), [Ni(bfdtc)2], (2) and characterized by elemental analysis, cyclic voltammetry, electronic, IR and variable temperature 1H and 13C NMR spectra. For complex 1, the thioureide vCsbnd N value is shifted to higher wavenumber compared to 2 and N13CS2 carbon signal observed for 1 is additionally shielded compared to the parent complex 2, suggesting increased strength of the thioureide bond due to the presence of the π-accepting phosphine. In the room temperature 13C NMR spectrum of 1, two pseudo doublets are observed in the aliphatic region. Variable temperature 13C NMR spectral studies suggest that the fast thiocyanate exchange appears to be responsible for the appearance of pseudo doublets. Single crystal X-ray structural analysis of 1 and 2 confirm the presence of four coordinated nickel in a distorted square planar arrangement with the NiS2PN and NiS4 chromophores, respectively. The Nisbnd S bonds are symmetric in 2 (2.1914(14) and 2.2073(13) Å). But significant asymmetry in Nisbnd S bond distances was observed in 1 (2.2202(8) Å and 2.1841 Å). This observation clearly supports the less effective trans effect of SCN- over PPh3. Cyclic voltammetric studies revealed easier reduction of nickel(II) to nickel(I) in complex 1 compared to 2.

  14. Spectral phasor analysis of LAURDAN fluorescence in live A549 lung cells to study the hydration and time evolution of intracellular lamellar body-like structures

    DEFF Research Database (Denmark)

    Malacrida, Leonel; Astrada, Soledad; Briva, Arturo

    2016-01-01

    Using LAURDAN spectral imaging and spectral phasor analysis we concurrently studied the growth and hydration state of subcellular organelles (lamellar body-like, LB-like) from live A549 lung cancer cells at different post-confluence days. Our results reveal a time dependent two-step process...

  15. Characterizing the performance of ecosystem models across time scales: A spectral analysis of the North American Carbon Program site-level synthesis

    Science.gov (United States)

    Michael C. Dietze; Rodrigo Vargas; Andrew D. Richardson; Paul C. Stoy; Alan G. Barr; Ryan S. Anderson; M. Altaf Arain; Ian T. Baker; T. Andrew Black; Jing M. Chen; Philippe Ciais; Lawrence B. Flanagan; Christopher M. Gough; Robert F. Grant; David Hollinger; R. Cesar Izaurralde; Christopher J. Kucharik; Peter Lafleur; Shugang Liu; Erandathie Lokupitiya; Yiqi Luo; J. William Munger; Changhui Peng; Benjamin Poulter; David T. Price; Daniel M. Ricciuto; William J. Riley; Alok Kumar Sahoo; Kevin Schaefer; Andrew E. Suyker; Hanqin Tian; Christina Tonitto; Hans Verbeeck; Shashi B. Verma; Weifeng Wang; Ensheng Weng

    2011-01-01

    Ecosystem models are important tools for diagnosing the carbon cycle and projecting its behavior across space and time. Despite the fact that ecosystems respond to drivers at multiple time scales, most assessments of model performance do not discriminate different time scales. Spectral methods, such as wavelet analyses, present an alternative approach that enables the...

  16. Studies on the spectral interference of gadolinium on different analytes in inductively coupled plasma atomic emission spectroscopy

    International Nuclear Information System (INIS)

    Sengupta, Arijit; Thulasidas, S.K.; Natarajan, V.; Airan, Yougant

    2015-01-01

    Due to the multi-electronic nature, rare earth elements are prone to exhibit spectral interference in ICP-AES, which leads to erroneous determination of analytes in presence of such matrix. This interference is very significant, when the analytes are to be determined at trace level in presence of emission rich matrix elements. An attempt was made to understand the spectral interference of Gd on 29 common analytes like Ag, Al, B, Ba, Bi, Ca, Cd, Ce, Co, Cr, Cu, Dy, Fe, Ga, Gd, In, La, Li, Lu, Mg, Mn, Na, Nd, Ni, Pb, Pr, Sr, Tl and Zn using ICP-AES with capacitive Charged Coupled Device (CCD) as detector. The present study includes identification of suitable interference free analytical lines of these analytes, evaluation of correction factor for each analytical line and determination of tolerance levels of these analytical lines along with the ICP-AES based methodology for simultaneous determination of Gd. Based on the spectral interference study, an ICP-AES based method was developed for the determination of these analytes at trace level in presence of Gd matrix without chemical separation. Further the developed methodology was validated using synthetic samples prepared from commercially available reference material solution of individual element; the results were found to be satisfactory. The method was also compared with other existing techniques

  17. Impact of the spectral and spatial properties of natural light on indoor gas-phase chemistry: Experimental and modeling study.

    Science.gov (United States)

    Blocquet, M; Guo, F; Mendez, M; Ward, M; Coudert, S; Batut, S; Hecquet, C; Blond, N; Fittschen, C; Schoemaecker, C

    2018-05-01

    The characteristics of indoor light (intensity, spectral, spatial distribution) originating from outdoors have been studied using experimental and modeling tools. They are influenced by many parameters such as building location, meteorological conditions, and the type of window. They have a direct impact on indoor air quality through a change in chemical processes by varying the photolysis rates of indoor pollutants. Transmittances of different windows have been measured and exhibit different wavelength cutoffs, thus influencing the potential of different species to be photolysed. The spectral distribution of light entering indoors through the windows was measured under different conditions and was found to be weakly dependent on the time of day for indirect cloudy, direct sunshine, partly cloudy conditions contrary to the light intensity, in agreement with calculations of the transmittance as a function of the zenithal angle and the calculated outdoor spectral distribution. The same conclusion can be drawn concerning the position within the room. The impact of these light characteristics on the indoor chemistry has been studied using the INCA-Indoor model by considering the variation in the photolysis rates of key indoor species. Depending on the conditions, photolysis processes can lead to a significant production of radicals and secondary species. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  18. Spectral Study of Water Tracks as an Analog for Recurring Slope Lineae

    Science.gov (United States)

    Ojha, L.; Wilhelm, M. B.; Wray, J. J.

    2013-01-01

    Liquid water is a key requirement for life on Earth, and serves as an important constraint on present day habitability on Mars. Recurring Slope Lineae (RSL) are a unique phenomenon on Mars that may be formed by brine seeps. Their morphological, seasonal and temporal characteristics support this hypothesis; however, spectral evidence has been lacking. Ojha et al., 2013 recently analyzed CRISM images from all confirmed RSL in the southern mid-latitudes and equatorial regions and found no spectro-scopic evidence for water. Instead, enhanced abun-dances or distinct grain sizes of both ferric and ferrous minerals are observed at most sites. The strength of these spectral signatures changes as a function of sea-son, possibly indicating removal of a fine-grained sur-face component during RSL flow, precipitation of fer-ric oxides, and/or wetting of the substrate. Water tracks (WT) have been suggested as a terrestrial analog for RSL by Levy et al., 2011. WT are defined as dark surface features that extend downslope in a linear or branching fashion, usually oriented along the steepest local gradient, in the Dry Valleys of Antarctica. They can be 1-3 m in width and can have lengths up to 2 km. They share many morphological and seasonal characteristics with RSL including active growth during summer seasons and fading during winter. Snowmelt, ground ice melt and deliquescence by hygroscopic salts have been suggested as possible formation mechanisms for water tracks. No spectral work to date has been reported for water tracks.

  19. [Study of approaches to spectral reflectance reconstruction based on digital camera].

    Science.gov (United States)

    Yang, Ping; Liao, Ning-fang; Song, Hong

    2009-05-01

    It is still challenging to reconstruct the spectral reflectance of a surface using digital cameras under given luminance and observation conditions. A new approach to solving the problem which is based on neural network and basis vectors is proposed. At first, the spectral reflectance of the sample surface is measured by spectrometer and the response of an digital camera is recorded. Then the reflectance is represented as a linear combination of several basis vectors by singular value decomposition (SVD). After that, a neural network is trained so that it is able to approximate the relationship between the camera responses and the coefficients of basis vectors accurately. In the end, the spectral reflectance can be reconstructed based on the neural network and basis vectors. In the present paper, the authors reconstructed the spectrum reflectance based on neural network and basis vectors. Compared with other traditional methods, neural network expands the space of unknown function F(S) from linear functions to more general nonlinear functions, which gives more accurate estimation of the coefficients alphak and better reflectance reconstruction. Results show that the reflectance of standard Munsell color patch (Matte) can be reconstructed successfully with mean of RMS which is 0.0234. Compared with linear approximation method, reconstruction of standard Munsell color patch (Matte) using this approach reduces the reconstruction error by 67%. Since the neural network can be implemented by Matlab neural network toolbox, this method can be easily adopted in many other cases. Therefore we conclude that this approach has advantages of higher accuracy, easy implementation and adaptation, thus can be used in many applications.

  20. Electronic structure and spectral properties of selected trimethyl-alloxazines: Combined experimental and DFT study

    International Nuclear Information System (INIS)

    Bruszynska, Magdalena; Sikorska, Ewa; Komasa, Anna; Khmelinskii, Igor; Ferreira, Luis F.V.; Hernando, Jordi; Karolczak, Jerzy; Kubicki, Maciej; Bourdelande, Jose L.; Sikorski, Marek

    2009-01-01

    Electronic structure and S 0 -S i , T 1 -T i , and S 0 -T i transition energies and oscillator strengths were calculated using the TD-DFT method for a series of trimethyl substituted alloxazines. The general energy diagram of the excited states predicted by the calculations is generally the same in these and in other alloxazines, with the two lowest close-lying n, π * and π, π * singlet excited states, determining the photophysical properties, being isoenergetic in most cases. The theoretical predictions are compared to the experimentally determined spectral and photophysical properties.

  1. TESIS experiment on study of solar corona in EUV spectral range (CORONAS-PHOTON project)

    International Nuclear Information System (INIS)

    Kuzin, S.V.; Zhitnik, I.A.; Ignat'ev, A.P.; Mitrofanov, A.V.; Pertsov, A.A.; Bugaenko, O.I.

    2005-01-01

    A new orbital station, namely: the CORONAS-PHOTON one (to be launched in 2006) equipped with systems to explore Sun at the intensification period of the solar activity 24-th cycle and at its peak is being designed within the framework of the CORONAS National Sun Space Exploration Program. The station equipment consists of systems to observe Sun within the spectral soft X-ray and vacuum ultraviolet bands. Paper lists and describes the TESIS experiment tools designed for the CORONAS-PHOTON Project to ensure the Sun atmospheric research within short-wave band [ru

  2. New Insights into AGN Mass Outflows: Detailed Study of the Spectral Properties of NGC 4151

    Science.gov (United States)

    Denes Couto, Jullianna

    2017-08-01

    Active Galactic Nuclei (AGNs) exist in a few percent of all massive galaxies. It is believed that AGNs are powered by accretion of matter onto a supermassive black hole (SMBH), generating in the process huge amounts of radiation that span the entire electromagnetic spectrum. In turn, this also triggers the so-called AGN Feedback phenomenon, by inducing the formation of accretion disk winds (or outflows) that accelerate highly ionized gas outwards and affect the intergalactic medium of the host galaxy, reducing star formation rates and preventing bulge growth. It has been suggested that a dominant component of mass outflows is observable in the X-rays, and there are a limited number of detailed studies of single objects for which the relation between outflows and power of the central engine can be determined directly. The Seyfert 1.5 galaxy NGC 4151 is a great study candidate, given its proximity (14.077 Mpc, z = 0.0033), X-ray brightness and orientation. Over the past decades, it has been the target of many single and multiwavelength observations, and its heavily absorbed X-ray spectrum and complex absorption features have been extensively stud- ied and characterized. I have investigated the relationship between the long term X-ray spectral variability in and its intrinsic absorption, by comparing our 2014 simultaneous ultraviolet/X-Ray observations taken with Hubble Space Telescope Imaging Spectrometer (STIS) Echelle and Chandra High Energy Transmission Grating Spectrometer (HETGS) with archival observations from Chandra, XMM-Newton and Suzaku. The observations were divided into "high" and "low" flux states, with the low states showing strong and unabsorbed extended emission at energies below 2 keV. The X-ray model consists of a broken powerlaw, neutral reflection and two dominant absorption components, a high and a low ionization component, which are present in all epochs. The model fittings suggest that the absorbers are very stable, with the principal changes

  3. Synthesis of Photochromic Oligophenylenimines: Optical and Computational Studies

    Directory of Open Access Journals (Sweden)

    Armando I. Martínez Pérez

    2015-03-01

    Full Text Available Phenyleneimine oligomers 4,4'-(((1E,1'E-(((1E,1'E-(1,4-phenylenebis-(azanylylidenebis(methanylylidenebis(2,5-bis(octyloxy-4,1-phenylenebis(methanylyl-idene-bis(azanylylidenedianiline (OIC1MS and 7,7'-(((1E,1'E-(((1E,1'E-((9H-fluorene-2,7-diylbis(azanylylidenebis(methanylylidenebis(2,5-bis(octyloxy-4,1phenylenebis- (methanylylidenebis(azanylylidenebis(9H-fluoren-2-amine (OIC2MS were prepared by means of conventional and mechanochemical synthesis and characterized by FT-IR, 1H- and 13C-NMR techniques. The optical properties of the compounds were studied in solution by using UV-visible spectroscopy, and the optical effects were analyzed as a function of solvent. The results show that OIC2MS exhibits interesting photochromic properties. Furthermore, the structural and electronic properties of the compounds were analyzed by TD-DFT. It was found that the mechanosynthesis is an efficient method for the synthesis of both tetraimines.

  4. Study of barium bismuth titanate prepared by mechanochemical synthesis

    Directory of Open Access Journals (Sweden)

    Lazarević Z.Ž.

    2009-01-01

    Full Text Available Barium-bismuth titanate, BaBi4Ti4O15 (BBT, a member of Aurivillius bismuth-based layer-structure perovskites, was prepared from stoichiometric amounts of barium titanate and bismuth titanate obtained via mechanochemical synthesis. Mechanochemical synthesis was performed in air atmosphere in a planetary ball mill. The reaction mechanism of BaBi4Ti4O15 and the preparation and characteristics of BBT ceramic powders were studied using XRD, Raman spectroscopy, particle analysis and SEM. The Bi-layered perovskite structure of BaBi4Ti4O15 ceramic forms at 1100 °C for 4 h without a pre-calcination step. The microstructure of BaBi4Ti4O15 exhibits plate-like grains typical for the Bi-layered structured material and spherical and polygonal grains. The Ba2+ addition leads to changes in the microstructure development, particularly in the change of the average grain size.

  5. Initial clinical experience with dual-layer detector spectral CT in patients with acute intracerebral haemorrhage: A single-centre pilot study.

    Directory of Open Access Journals (Sweden)

    Soo Buem Cho

    Full Text Available The purpose of this study was to investigate the clinical feasibility of spectral analyses using dual-layer detector spectral computed tomography (CT in acute intracerebral haemorrhage (ICH.We retrospectively reviewed patients with acute ICH who underwent CT angiography on a dual-layer detector spectral CT scanner. A spectral data analysis was performed to detect contrast enhancement in or adjacent to acute ICH by using spectral image reconstructions including monoenergetic (MonoE, virtual noncontrast (VNC, and iodine overlay fusion images. We also acquired a spectral plot to assess material differentiation within lesions.Among the 30 patients, the most common cause of acute ICH was chronic hypertension (18/30, 60% followed by trauma (5/30, 16.7%, brain tumour (3/30, 10%, Moyamoya disease (2/30, 6.7%, and haemorrhagic diathesis from anticoagulation therapy (2/30, 6.7%. Of 30 patients, 13 showed suboptimal iodine suppression in the subcalvarial spaces on VNC images compared with true noncontrast images. The CT angiographic spot sign within the acute ICH was detected in four patients (4/30, 13.3%. All three tumours were metastatic and included lung cancer (n = 2 and hepatocellular carcinoma (n = 1 which showed conspicuous delineation of an enhancing tumour portion in the spectral analysis. Spectral analyses allowed the discrimination of acute haemorrhage and iodine with enhanced lesion visualization on the MonoE images obtained at lower keVs (less than 70 keV and spectral plot.Even though the image quality of VNC is perceived to be inferior, it is feasible to evaluate acute ICH in clinical settings using dual-layer detector spectral CT. The MonoE images taken at lower keVs were useful for depicting contrast enhancing lesion, and spectral plot might be helpful for material differentiation in patients with acute ICH.

  6. Free radicals induced by sunlight in different spectral regions - in vivo versus ex vivo study.

    Science.gov (United States)

    Lohan, Silke B; Müller, Robert; Albrecht, Stephanie; Mink, Kathrin; Tscherch, Kathrin; Ismaeel, Fakher; Lademann, Jürgen; Rohn, Sascha; Meinke, Martina C

    2016-05-01

    Sunlight represents an exogenous factor stimulating formation of free radicals which can induce cell damage. To assess the effect of the different spectral solar regions on the development of free radicals in skin, in vivo electron paramagnetic resonance (EPR) investigations with human volunteers and ex vivo studies on excised human and porcine skin were carried out. For all skin probes, the ultraviolet (UV) spectral region stimulates the most intensive radical formation, followed by the visible (VIS) and the near infrared (NIR) regions. A comparison between the different skin models shows that for UV light, the fastest and highest production of free radicals could be detected in vivo, followed by excised porcine and human skin. The same distribution pattern was found for the VIS/NIR spectral regions, whereby the differences in radical formation between in vivo and ex vivo were less pronounced. An analysis of lipid composition in vivo before and after exposure to UV light clearly showed modifications in several skin lipid components; a decrease of ceramide subclass [AP2] and an increase of ceramide subclass [NP2], sodium cholesterol sulphate and squalene (SQ) were detectable. In contrast, VIS/NIR irradiation led to an increase of ceramides [AP2] and SCS, and a decrease of SQ. These results, which are largely comparable for the different skin models investigated in vivo and ex vivo, indicate that radiation exposure in different spectral regions strongly influences radical production in skin and also results in changes in skin lipid composition, which is essential for barrier function. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  7. A variable-tune spatial heterodyne spectrometer for broadband spectral line studies in the visible and near-UV

    Science.gov (United States)

    Dawson, Olivia R.; Harris, Walter M.

    2017-11-01

    Reflective Spatial Heterodyne Spectroscopy (SHS) is an interferometric technique that combines high resolving power and a large input acceptance angle in a format that is compact enough for use at small telescope focal planes and in spacecraft observations of targets in the visible to far ultra-violet (FUV) spectral range. SHS instruments are well suited to the study of faint, extended emission line sources, particularly in the UV where stellar background continuum becomes weak. Their primary limitation comes from the limited spatial sampling of the output interference pattern generated by the incoming spectral source, which limits their use to narrow bandpass near the central tuning wavelength. We describe a the first light results from a broadband SHS that can be used to scan the tuning wavelength across a bandpass extending from 300 to 700 nm. The limitations on the bandpass are arbitrary and can easily be extended into the UV or near infrared. We discuss the results of these validation program and the potential improvements that could be used to expand and/or improve the broadband spectral response of the instrument.

  8. Synthesis, antimicrobial evaluation and QSAR studies of propionic acid derivatives

    Directory of Open Access Journals (Sweden)

    Sanjiv Kumar

    2017-02-01

    Full Text Available A series of Schiff bases (1–17 and esters (18–24 of propionic acid was synthesized in appreciable yield and characterized by physicochemical as well as spectral means. The synthesized compounds were evaluated in vitro for their antimicrobial activity against Gram-positive bacteria Staphylococcus aureus, Bacillus subtilis, Gram negative bacterium Escherichia coli and fungal strains Candida albicans and Aspergillus niger by tube dilution method. Results of antimicrobial screening indicated that besides having good antibacterial activity, the synthesized compounds also displayed appreciable antifungal activity and compound 10 emerged as the most active antifungal agent (pMICca and pMICan = 1.93. The results of QSAR studies demonstrated that antibacterial, antifungal and overall antimicrobial activities of synthesized propionic acid derivatives were governed by the topological parameters, Kier’s alpha first order shape index (κα1 and valence first order molecular connectivity index (1χv.

  9. Statistical study of Saturn's auroral electron properties with Cassini/UVIS FUV spectral images

    Science.gov (United States)

    Gustin, J.; Grodent, D.; Radioti, A.; Pryor, W.; Lamy, L.; Ajello, J.

    2017-03-01

    Cassini MAG and CAPS/ELS instruments. However, several auroral regions are characterized by relatively high 〈E〉 and low energy flux, suggesting that additional processes such as plasma injections or magnetic reconnections must be accounted for to explain the emission in these regions. The Lyα/H2 ratio technique can be used to build maps of 〈E〉 from single spectral images. As expected, preliminary results show that the spatial distribution of 〈E〉 is not uniform, as seen on Jupiter. Our study reveals that a fraction of the aurora is due to very low energy electrons (<1 keV). Even in this case, comparisons between observed and modeled spectra show that 100 eV is a suitable value to represent the average energy of the secondary electrons.

  10. A Kepler study of starspot lifetimes with respect to light-curve amplitude and spectral type

    Science.gov (United States)

    Giles, Helen A. C.; Collier Cameron, Andrew; Haywood, Raphaëlle D.

    2017-12-01

    Wide-field high-precision photometric surveys such as Kepler have produced reams of data suitable for investigating stellar magnetic activity of cooler stars. Starspot activity produces quasi-sinusoidal light curves whose phase and amplitude vary as active regions grow and decay over time. Here we investigate, first, whether there is a correlation between the size of starspots - assumed to be related to the amplitude of the sinusoid - and their decay time-scale and, secondly, whether any such correlation depends on the stellar effective temperature. To determine this, we computed the auto-correlation functions of the light curves of samples of stars from Kepler and fitted them with apodised periodic functions. The light-curve amplitudes, representing spot size, were measured from the root-mean-squared scatter of the normalized light curves. We used a Monte Carlo Markov Chain to measure the periods and decay time-scales of the light curves. The results show a correlation between the decay time of starspots and their inferred size. The decay time also depends strongly on the temperature of the star. Cooler stars have spots that last much longer, in particular for stars with longer rotational periods. This is consistent with current theories of diffusive mechanisms causing starspot decay. We also find that the Sun is not unusually quiet for its spectral type - stars with solar-type rotation periods and temperatures tend to have (comparatively) smaller starspots than stars with mid-G or later spectral types.

  11. Synthesis and study of dioxouranium (6) carboxylate complexes with ammonia

    International Nuclear Information System (INIS)

    Spitsyn, V.I.; Mazo, G.N.; Dunaev, K.M.; Santalova, N.A.

    1980-01-01

    Heterophase synthesis of a series of ammonia complexes of dioxouranium (6) carboxylates namely, UO 2 (HCOO) 2 x2NH 3 , UO 2 (CH 3 COO) 2 x2NH 3 , UO 2 (CH 3 CH 2 OO) 2 x2NH 3 is presented and their properties and structure are studied. Comparison of infrared spectra of dioxouranium (6) carboxylates and their ammonia complexes has shown that NH 3 molecule introduction changes in principle the coordination of azidoligand turning out bridge carboxylate groups into island ones and weakening their bonds with central cations. In spectra of all diammiacates the shift of bands of deformational and valent oscillations of N-H bond in comparison with spectrum of pure ammonia tells about NH 3 coordination with metal. Complexes thermolysis has been studied under iso- and polythermal conditions. General diagram of thermal decay is presented [ru

  12. Vowel Inherent Spectral Change

    CERN Document Server

    Assmann, Peter

    2013-01-01

    It has been traditional in phonetic research to characterize monophthongs using a set of static formant frequencies, i.e., formant frequencies taken from a single time-point in the vowel or averaged over the time-course of the vowel. However, over the last twenty years a growing body of research has demonstrated that, at least for a number of dialects of North American English, vowels which are traditionally described as monophthongs often have substantial spectral change. Vowel Inherent Spectral Change has been observed in speakers’ productions, and has also been found to have a substantial effect on listeners’ perception. In terms of acoustics, the traditional categorical distinction between monophthongs and diphthongs can be replaced by a gradient description of dynamic spectral patterns. This book includes chapters addressing various aspects of vowel inherent spectral change (VISC), including theoretical and experimental studies of the perceptually relevant aspects of VISC, the relationship between ar...

  13. Spectral Pollution

    OpenAIRE

    Davies, E B; Plum, M

    2003-01-01

    We discuss the problems arising when computing eigenvalues of self-adjoint operators which lie in a gap between two parts of the essential spectrum. Spectral pollution, i.e. the apparent existence of eigenvalues in numerical computations, when no such eigenvalues actually exist, is commonplace in problems arising in applied mathematics. We describe a geometrically inspired method which avoids this difficulty, and show that it yields the same results as an algorithm of Zimmermann and Mertins.

  14. The experimental quantitative study of spectral CT imaging in reducing the metal artifacts

    International Nuclear Information System (INIS)

    Li Xiaoli; Feng Weihua; Dong Cheng; Chen Haisong; Cao Huizhi; Xu Wenjian

    2011-01-01

    Objective: To assess the value of spectral CT in reducing artifacts caused by metallic implants. Methods: Porcine lumbar spines were chosen as anthropomorphic phantom. The model was examined before and after implanting the titanic nail into the second and fourth lumbar vertebral body using gemstone spectral CT protocol and standard 120 kVp spectra. Specific post-processing technique was applied to generate 11 kinds of images of monochromatic energy and Metal Artifacts Reducing system (MARs) with the interval of 10 keV ranging from 40-140 keV. The image quality was compared subjectively between 120 kVp group and GSI group after implantation. Three regions of interest based on distances along the most pronounced artifact were chosen and marked as ROI near , ROI mid , ROI far successively. Artifacts parameters including CT value and SD value were measured. The CT value of different ROIs were compared with LSD and Bonferroni test. Contrast-to-noise ratio and artifacts index were calculated. An optimal range of keV was determined according to artifacts index. Results: Image quality of' Gemstone spectra images was rated superior to the standard images. An optimized spectrum of keV based on artifacts index was from 80 keV to 100 keV. For ROI near , CT value was (80.25±16.00) HU and (30.10±10.45) HU respectively in group Mono before implantation and group Mono + MARs after implantation. The differences were significant (Z= 2.978, P mid and ROI far , CT value was (63.21±6.61) HU and (54.84±10.60) HU, (76.54±9.07) HU and (73.20±5.39) HU respectively. There was no significant differences (t=0.530, P>0.05; t=0.822, P>0.05). Conclusion: Metal artifacts could be reduced effectively at the site 3 cm away from implants using gemstone spectral CT. An accurate CT value of surrounding tissue can be obtained. (authors)

  15. Study of Unidentified Spectral Lines in the High-Resolution Spectra of Comet Machholz (C/2004Q2

    Directory of Open Access Journals (Sweden)

    Sung-Won Hwang

    2009-12-01

    Full Text Available We observed Comet Machholz (C/2004Q2 using the BOES (BOao Echelle Spectograph at the Bohyunsan Observatory on January 4, 2005. We have studied a wavelength range of 4800~8100 °A in order to investigate unidentified spectral lines in the high-resolution spectra of Machholz. We compared the Machholz spectra with the high-resolution spectra of previous comets: Swift-Tuttle, Brorsen-Metcalf, Austin, and 122P/de Vico. We identified many molecular lines, which are previously unknown; and these identifications will be useful information for studying high-resolution spectra of future comets.

  16. ERP and Adaptive Autoregressive identification with spectral power decomposition to study rapid auditory processing in infants.

    Science.gov (United States)

    Piazza, C; Cantiani, C; Tacchino, G; Molteni, M; Reni, G; Bianchi, A M

    2014-01-01

    The ability to process rapidly-occurring auditory stimuli plays an important role in the mechanisms of language acquisition. For this reason, the research community has begun to investigate infant auditory processing, particularly using the Event Related Potentials (ERP) technique. In this paper we approach this issue by means of time domain and time-frequency domain analysis. For the latter, we propose the use of Adaptive Autoregressive (AAR) identification with spectral power decomposition. Results show EEG delta-theta oscillation enhancement related to the processing of acoustic frequency and duration changes, suggesting that, as expected, power modulation encodes rapid auditory processing (RAP) in infants and that the time-frequency analysis method proposed is able to identify this modulation.

  17. A numerical study of viscous vortex rings using a spectral method

    Science.gov (United States)

    Stanaway, S. K.; Cantwell, B. J.; Spalart, Philippe R.

    1988-01-01

    Viscous, axisymmetric vortex rings are investigated numerically by solving the incompressible Navier-Stokes equations using a spectral method designed for this type of flow. The results presented are axisymmetric, but the method is developed to be naturally extended to three dimensions. The spectral method relies on divergence-free basis functions. The basis functions are formed in spherical coordinates using Vector Spherical Harmonics in the angular directions, and Jacobi polynomials together with a mapping in the radial direction. Simulations are performed of a single ring over a wide range of Reynolds numbers (Re approximately equal gamma/nu), 0.001 less than or equal to 1000, and of two interacting rings. At large times, regardless of the early history of the vortex ring, it is observed that the flow approaches a Stokes solution that depends only on the total hydrodynamic impulse, which is conserved for all time. At small times, from an infinitely thin ring, the propagation speeds of vortex rings of varying Re are computed and comparisons are made with the asymptotic theory by Saffman. The results are in agreement with the theory; furthermore, the error is found to be smaller than Saffman's own estimate by a factor square root ((nu x t)/R squared) (at least for Re=0). The error also decreases with increasing Re at fixed core-to-ring radius ratio, and appears to be independent of Re as Re approaches infinity). Following a single ring, with Re=500, the vorticity contours indicate shedding of vorticity into the wake and a settling of an initially circular core to a more elliptical shape, similar to Norbury's steady inviscid vortices. Finally, we consider the case of leapfrogging vortex rings with Re=1000. The results show severe straining of the inner vortex core in the first pass and merging of the two cores during the second pass.

  18. Managing Large-Volume Literature Searches in Research Synthesis Studies

    Science.gov (United States)

    Havill, Nancy L.; Leeman, Jennifer; Shaw-Kokot, Julia; Knafl, Kathleen; Crandell, Jamie; Sandelowski, Margarete

    2014-01-01

    Background Systematic reviews typically require searching for, retrieving, and screening a large volume of literature, yet little guidance is available on how to manage this volume. Purpose We detail methods used to search for and manage the yield of relevant citations for a mixed-methods mixed research synthesis study focused on the intersection between family life and childhood chronic physical conditions. Method We designed inclusive search strings and searched nine bibliographic databases to identify relevant research regardless of methodological origin. We customized searches to individual databases, developed workarounds for transferring large volumes of citations and eliminating duplicate citations using reference management software, and used this software as a portal to select citations for inclusion or exclusion. We identified 67,555 citations, retrieved and screened 3,617 reports, and selected 802 reports for inclusion. Discussion/Conclusions Systematic reviews require search procedures to allow consistent and comprehensive approaches and the ability to work around technical obstacles. PMID:24345615

  19. Energy and communal patrimony - 2012 survey. Study synthesis

    International Nuclear Information System (INIS)

    Lafitte, Bruno; Lestage, Christophe; Rozo, Ariane; Bisson, Nicolas; Pouillot, Jean-Pierre; Tessier, Philippe; Belon, Daniel; Caron, Clotilde

    2014-06-01

    This report proposes a synthesis of a study based on a survey on energy consumption and expenditures directly paid by local communities, the built patrimony, public lighting and vehicle fuel, the electricity consumptions and expenditures of drinking water stations, sewage treatment plants and waste treatment plants. The survey has been performed among more than 1600 towns and communities of more than 500 inhabitants in metropolitan France and overseas territories. The considered built patrimony comprises schools, swimming pools, other sport facilities, administrative buildings, social and cultural facilities, and other various facilities. The report indicates key figures for 2012 in terms of global assessment, main consumer sectors, buildings, public lighting, vehicle fuel, actions for energy management, and renewable energies. The evolution of consumptions and expenditures is then analysed (evolution of main indicators, market shares of energies in buildings)

  20. Synthesis of new chalcone derivatives and their antimicrobial studies

    Science.gov (United States)

    Noorulhaq, Syed Shah Najib; Baseer, Mohammad Abdul

    2017-11-01

    Chalcones are the significant constituent of natural sources. Chalcones posses 1,3-diaryl-1-ones frame which withdraws the recognition of biological importance. Chalcones are not possible to separate from plants because it is transformed into flavonones due to the presence of enzyme chalcone synthetase. Chalcones are prepared by the Claisen-Schimdt condensation of equimolar ratios of aldehyde and ketone in presence of base. With this vision we accounted here the synthesis of some novel chalcones via Clasien-Schimdt condensation of substituted ketones containing hydroxy, chloro, fluoro groups and 4-(4-Methyl-piperazin-1-yl)-benzaldehyde in presence of alkali at room temperature. These recently synthesized γ, β unsaturated compounds that is chalcones were screened for their antimicrobial studies which show modest to good activity.

  1. Comparative study of synthesis and reduction methods for graphene oxide

    KAUST Repository

    Alazmi, Amira

    2016-05-14

    Graphene oxide (GO) and reduced graphene oxide (rGO) have congregated much interest as promising active materials for a variety of applications such as electrodes for supercapacitors. Yet, partially given the absence of comparative studies in synthesis methodologies, a lack of understanding persists on how to best tailor these materials. In this work, the effect of using different graphene oxidation-reduction strategies in the structure and chemistry of rGOs is systematically discussed. Two of the most popular oxidation routes in the literature were used to obtain GO. Subsequently, two sets of rGO powders were synthesised employing three different reduction routes, totalling six separate products. It is shown that the extension of the structural rearrangement in rGOs is not just dependent on the reduction step but also on the approach followed for the initial graphite oxidation.

  2. STUDY ON THE SYNTHESIS OF MONOLAURIN AS ANTIBACTERIAL AGENT AGAINTS Staphylococcus aureus

    Directory of Open Access Journals (Sweden)

    Galuh Widiyarti

    2010-06-01

    Full Text Available The monolaurin compound had been synthesized from lauric acid and glycerol by using sulfuric acid (H2SO4 as catalyst. The synthesis of monolaurin was done by batch esterification on the free solvent system. The esterification reaction was performed on the equivalent mol ratio between lauric acid and glycerol 1:1, in the presence of 5% H2SO4, at 130 °C, for 6 hours, produced ester compounds on 59.29%. The products of column chromatography on silica gel purification are monolaurin and dilaurin in amount of 31.05 and 4.48%, respectively. The monolaurin and dilaurin were identified by TLC, FTIR, GC-MS, and NMR spectrometer. The spectral data of monolaurin was compared to spectral data of standard monolaurin. The result of NMR identifications showed that synthesis products were a-monolaurin and a,a'-dilaurin. The antibacterial activity of synthesis products was tested against Staphylococcus aureus. The activity result showed that the antibacterial activity of monolaurin is more active than dilaurin.   Keywords: monolaurin, esterification, identification, antibacterial activity.

  3. Synthesis, Characterization and Biological Activity Studies of Mixed ...

    African Journals Online (AJOL)

    ADOWIE PERE

    is due to the coordination of the metal to the ligand by some complexes through this site. Cobalt and. Nickel complexes of the 3 mmol synthesis with. Nickel complex of the 5mmol synthesis still retain the band as seen in Paracetamol showing that they do not coordinate through this site. Another important band was observed ...

  4. Synthesis, Anticonvulsant Activity and In silco Studies of Schiff ...

    African Journals Online (AJOL)

    Georgette M, Castanedo, Daniel PS. Synthesis of tetrasubstituted thiophenes on solid support using the Gewald reaction.Tetrahedron lett 2001; 42: 7181-7184. 11. Pushyamitra M, Hardesh K, Maurya, Brijesh K, Vishnu. K, Tandon, Vishnu JR. synthesis of thiophenes and pyranone fused thiophenes by base induced inter.

  5. Spectrally selective glazings

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-08-01

    Spectrally selective glazing is window glass that permits some portions of the solar spectrum to enter a building while blocking others. This high-performance glazing admits as much daylight as possible while preventing transmission of as much solar heat as possible. By controlling solar heat gains in summer, preventing loss of interior heat in winter, and allowing occupants to reduce electric lighting use by making maximum use of daylight, spectrally selective glazing significantly reduces building energy consumption and peak demand. Because new spectrally selective glazings can have a virtually clear appearance, they admit more daylight and permit much brighter, more open views to the outside while still providing the solar control of the dark, reflective energy-efficient glass of the past. This Federal Technology Alert provides detailed information and procedures for Federal energy managers to consider spectrally selective glazings. The principle of spectrally selective glazings is explained. Benefits related to energy efficiency and other architectural criteria are delineated. Guidelines are provided for appropriate application of spectrally selective glazing, and step-by-step instructions are given for estimating energy savings. Case studies are also presented to illustrate actual costs and energy savings. Current manufacturers, technology users, and references for further reading are included for users who have questions not fully addressed here.

  6. Magnetic, spectral and thermal studies of lanthanide (III) isothiocyanate complexes of 2,2'-biquinoline mono N-oxide

    International Nuclear Information System (INIS)

    Agarwal, R.K.; Gupta, S.K.; Gupta, Y.K.

    1993-01-01

    2,2'-Biquinoline mono N-oxide (Biquno) complexes of lanthanide(III) isothiocyanate of the general composition Ln(NCS) 3 (Biquno) 3 (where Ln=La, Pr, Nd, Sm, Tb, Dy, Ho or Yb) have been prepared in non-aqueous media and characterized by chemical analysis, electrolytic conductance, molecular weight, magnetic moment and infrared spectral data. IR data indicate that Biquno acts as a bidentate ligand forming a stable six membered chelate ring. Tentative coordination number of nine has been assigned. Thermogravimetric analysis of some complexes have also been studied. (author). 15 refs., 2 tabs

  7. [Metabolic mechanisms underlying reparative action of metal-dependent spectral light flux from a hollow cathode lamp (experimental study)].

    Science.gov (United States)

    Pusyreva, G A; Frolkov, V K; Bobrovnitskiĭ, I P

    2010-01-01

    The objective of the present study was to evaluate the influence of serial irradiation of experimental animals with a visible light flow showing spectral lines of copper and manganese on the rate of reparative processes and the associated metabolic events. The cathode of the lamp that contained both microelements generated the light flux possessed of significant biological activity. Specifically, it accelerated reduction of the wound surface area and optimized regulation of carbohydrate metabolism in the lipid peroxidation system by insulin and cotisol. The light flux emitted by the cathode containing only one of the two elements (either copper or manganese) produced a similar but less pronounced effect.

  8. Spectral and non-spectral interferences in the determination of thallium in environmental materials using electrothermal atomization and vaporization techniques--a case study

    International Nuclear Information System (INIS)

    Vale, Maria Goreti R.; Welz, Bernhard

    2002-01-01

    The literature on the determination of Tl in environmental samples using electrothermal atomization (ETA) and vaporization (ETV) techniques has been reviewed with special attention devoted to potential interferences and their control. Chloride interference, which is due to the formation of the volatile monochloride in the condensed phase, is the most frequently observed problem. Due to its high dissociation energy (88 kcal/mol), TlCl is difficult to dissociate in the gas phase and is easily lost. The best means of controlling this interference in ETA is atomization under isothermal conditions according to the stabilized temperature platform furnace concept, and the use of reduced palladium as a modifier. An alternative approach appears to be the 'fast furnace' concept, wherein both the use of a modifier and the pyrolysis stage are omitted. This concept requires an efficient background correction system, and high-resolution continuum-source atomic absorption spectrometry (HR-CS AAS) appears to offer the best results. This chloride interference can also cause significant problems when ETV techniques are used. Among the spectral interferences found in the determination of thallium are those due to Pd, the most efficient modifier, and Fe, which is frequently found at high concentrations in environmental samples. Both interferences are due to nearby atomic lines, and are observed only when deuterium background correction and relatively high atomization temperatures are used. A more serious spectral interference is that due to the molecular absorption spectrum of SO 2 , which has a maximum around the Tl line and exhibits a pronounced rotational fine structure. HR-CS AAS again showed the best performance in coping with this interference

  9. Synthesis and structural studies of first row transition metal ...

    African Journals Online (AJOL)

    3-hydrazino quinoxaline-2-one (NBHQO) have been synthesized and characterized by elemental analysis, conductance, thermal, spectral and magnetic data. NBHQO acts as a bidentate ON donor in all the complexes except in Ni(II) complex ...

  10. A Statistical study of the Doppler spectral width of high-latitude ionospheric F-region echoes recorded with SuperDARN coherent HF radars

    Directory of Open Access Journals (Sweden)

    J.-P. Villain

    Full Text Available The HF radars of the Super Dual Auroral Radar Network (SuperDARN provide measurements of the E × B drift of ionospheric plasma over extended regions of the high-latitude ionosphere. We have conducted a statistical study of the associated Doppler spectral width of ionospheric F-region echoes. The study has been conducted with all available radars from the Northern Hemisphere for 2 specific periods of time. Period 1 corresponds to the winter months of 1994, while period 2 covers October 1996 to March 1997. The distributions of data points and average spectral width are presented as a function of Magnetic Latitude and Magnetic Local Time. The databases are very consistent and exhibit the same features. The most stringent features are: a region of very high spectral width, collocated with the ionospheric LLBL/cusp/mantle region; an oval shaped region of high spectral width, whose equator-ward boundary matches the poleward limit of the Holzworth and Meng auroral oval. A simulation has been conducted to evaluate the geometrical and instrumental effects on the spectral width. It shows that these effects cannot account for the observed spectral features. It is then concluded that these specific spectral width characteristics are the signature of ionospheric/magnetospheric coupling phenomena.

    Key words. Ionosphere (auroral ionosphere; ionosphere-magnetosphere interactions; ionospheric irregularities

  11. A Statistical study of the Doppler spectral width of high-latitude ionospheric F-region echoes recorded with SuperDARN coherent HF radars

    Directory of Open Access Journals (Sweden)

    J.-P. Villain

    2002-11-01

    Full Text Available The HF radars of the Super Dual Auroral Radar Network (SuperDARN provide measurements of the E × B drift of ionospheric plasma over extended regions of the high-latitude ionosphere. We have conducted a statistical study of the associated Doppler spectral width of ionospheric F-region echoes. The study has been conducted with all available radars from the Northern Hemisphere for 2 specific periods of time. Period 1 corresponds to the winter months of 1994, while period 2 covers October 1996 to March 1997. The distributions of data points and average spectral width are presented as a function of Magnetic Latitude and Magnetic Local Time. The databases are very consistent and exhibit the same features. The most stringent features are: a region of very high spectral width, collocated with the ionospheric LLBL/cusp/mantle region; an oval shaped region of high spectral width, whose equator-ward boundary matches the poleward limit of the Holzworth and Meng auroral oval. A simulation has been conducted to evaluate the geometrical and instrumental effects on the spectral width. It shows that these effects cannot account for the observed spectral features. It is then concluded that these specific spectral width characteristics are the signature of ionospheric/magnetospheric coupling phenomena.Key words. Ionosphere (auroral ionosphere; ionosphere-magnetosphere interactions; ionospheric irregularities

  12. Synthesis, spectral characteristics, and the crystal and molecular structures of 2,3-dimethyl-1-phenyl-4-(N-phthalimido)pyrazolone-5

    International Nuclear Information System (INIS)

    Sokol, V. I.; Strashnova, S. B.; Kovalchukova, O. V.; Sergienko, V. S.; Davydov, V. V.; Zaitsev, B. E.; Evtushenko, Yu. M.

    2008-01-01

    2,3-Dimethyl-1-phenyl-4-(N-phthalimido)pyrazolone-5 (I) is synthesized and isolated in the form of single crystals. The crystal structure of compound I is determined using X-ray diffraction. The phthalimide and pyrazolone rings in the molecule are not coplanar: the angle between their median planes is 56.4 o . The bond lengths in the rings level off, which indicates the delocalization of the electron density. The spectral characteristics (IR and electronic spectra) of molecule I are determined.

  13. TU-EF-204-04: Feasibility Study of a Novel Stationary Spectral CT Scanner

    International Nuclear Information System (INIS)

    Xu, P; Xing, X; Zheng, J; Chen, S; Zhang, Y; Yuan, G; Sun, M

    2015-01-01

    Purpose: To evaluate a cadmium zinc telluride (CZT) detector module and to develop a proof-of-concept bench-top system to examine the concept and feasibility of a stationary spectral scanner that would consist of a CZT detector ring and a distributed source for rotationless imaging. Methods: The bench-top system employs a double-rotation set-up with two concentric but independent rotating stages, one for turning the object at sparse angles to mimic the imaging from a sequentially activated source distributed on a ring, while the other for translating the detector module to simulate a projection arc along a virtual detector ring. A source of 30-degree fan is used in the set-up, and the ring is designed to be 85cm in diameter in order to provide a 22cm field-of-view that is large enough for an average human head. The CZT detector module has 16×16 0.5mm pixels and eight global energy thresholds, and is attached to an experimental data acquisition board from the same vendor (Nova R&D). Its pixel gain is first calibrated using radioisotope Tc-99m to align the photo-peaks. Count rate performance is assessed using the X-ray source. Air and offset corrections are done prior to each CT scan. A 10cm acrylic phantom with 5 different inserts is imaged at 100kVp, 2mA, with an effective exposure window of 150ms per projection. Reconstruction is done using a total variation-type iterative method. Results: The detector module exhibited large gain variations among pixels. Average count rate was over 1Mcps per pixel. Parallax effect was observed along the arcs but was corrected. Reconstructed images from two energy bins demonstrated good contrast, spatial resolution and image uniformity, with little artifacts. Conclusion: The CZT detector tested is suitable for imaging relatively small objects. A stationary spectral CT appears feasible should we have enough buttable modules and a distributed source. This work was supported by Ministry of Science and Technology of China through

  14. Synthesis and analysis in studies of chemical evolution

    Science.gov (United States)

    Ponnamperuma, C.; Hobish, M. K.; Kobayashi, K.; Hua, L. L.; Senaratne, N.

    1986-01-01

    Studies of the various processes that may have given rise to life on the Earth have demonstrated the appropriateness of an approach that makes use of analysis and synthesis. Analysis of extraterrestrial samples in the form of meteorites has demonstrated the presence of several precursors of biomolecules, most notably a full suite of nucleic acid bases and nucleotides of biological significance. These species were determined after exhaustive extraction of the sample and subsequent analysis using HPLC, GC, MS, and GC-MS. Procedural blanks indicate that these molecules are likely not the result of contamination during the extraction and analysis process. Similar species were found as products of spark discharge experiments in atmospheres thought to mimic primitive Earth conditions. These results indicate that the basic chemistry underlying these syntheses is common, and that life may not be unique to the Earth. Studies underway in the laboratory make use of proton nuclear magnetic resonance spectroscopy as a probe to assess associations between selected amino acids and any of several nucleotides comprising their genetic code and genetic anticode sequences. These studies demonstrate a clear selectivity by the anticode sequences, thus confirming the hydrophobicity studies performed by Lacey et al. These studies further support the contention that life is likely a natural result of the physics and chemistry of the universe.

  15. A Comprehensive Study of Chelyabinsk Meteorite: Physical, Mineralogical, Spectral Properties and Solar System Orbit

    Science.gov (United States)

    Gritsevich, Maria; Kohout, T.; Grokhovsky, V.; Yakovlev, G.; Lyytinen, E.; Vinnikov, V.; Haloda, J.; Halodova, P.; Michallik, R.; Penttilä, A.; Muinonen, K.; Peltoniemi, J.; Lupovka, V.; Dmitriev, V.

    2013-10-01

    On February 15, 2013, at 9:22 am, an exceptionally bright and long duration fireball was observed by many eyewitnesses in the Chelyabinsk region, Russia. A strong shock wave associated with the fireball caused significant damage such as destroyed windows and parts of buildings in Chelyabinsk and the surrounding territories. A number of video records of the event are available and have been used to reconstruct atmospheric trajectory, velocity, deceleration rate, and parent asteroid Apollo-type orbit in the Solar System. Two types of meteorite material are present among recovered fragments of the Chelyabinsk meteorite. These are described as the light-colored and dark-colored lithology. Both types are of LL5 composition with the dark-colored one being an impact-melt shocked to a higher level. Based on the magnetic susceptibility measurements, the Chelyabinsk meteorite is richer in metallic iron as compared to other LL chondrites. The measured bulk and grain densities and the porosity closely resemble other LL chondrites. Shock darkening does not have a significant effect on the material physical properties, but causes a decrease of reflectance and decrease in silicate absorption bands in the reflectance spectra. This is similar to the space weathering effects observed on asteroids. However, no spectral slope change similar to space weathering is observed as a result of shock-darkening. Thus, it is possible that some dark asteroids with invisible silicate absorption bands may be composed of relatively fresh shock darkened chondritic material.

  16. Broad-band spectral studies of optical lightnings and possible correlation with solar activity

    International Nuclear Information System (INIS)

    Bhat, C.L.; Sapru, M.L.; Kaul, R.K.; Razdan, H.

    1984-01-01

    Optical pulses from lightning discharges have been recorded in a ground-based experiment, meant primarily for the detection of cosmic X- and γ-ray bursts through the atmospheric fluorescence technique. It is shown that the spectral ratio Asub(v)/Asub(y), i.e. the ratio of pulse amplitudes in the violet to that in yellow wavelength bands (3400-4300 A and 4400-6000 A respectively) provides a good indication of the lightning channel temperature, the range of derived temperatures extending from 5.000 K to 60.000 K. Based on the distribution of observed Asub(v)/Asub(y) values on a daily basis, it has been possible to separate the observed lightning activity into two classes. One class of event is shown to be correlated with the peaking of the global atmospheric electric field and occurs preferentially on days when the ground-level cosmic ray intensity shows a significant decrease in association with an increase in geomagnetic activity. The results are discussed in terms of the contemporary views regarding solar control of atmospheric electricity and the various sun-weather correlations reported earlier. (author)

  17. A Comparative Study of Spectral Auroral Intensity Predictions From Multiple Electron Transport Models

    Science.gov (United States)

    Grubbs, Guy; Michell, Robert; Samara, Marilia; Hampton, Donald; Hecht, James; Solomon, Stanley; Jahn, Jorg-Micha

    2018-01-01

    It is important to routinely examine and update models used to predict auroral emissions resulting from precipitating electrons in Earth's magnetotail. These models are commonly used to invert spectral auroral ground-based images to infer characteristics about incident electron populations when in situ measurements are unavailable. In this work, we examine and compare auroral emission intensities predicted by three commonly used electron transport models using varying electron population characteristics. We then compare model predictions to same-volume in situ electron measurements and ground-based imaging to qualitatively examine modeling prediction error. Initial comparisons showed differences in predictions by the GLobal airglOW (GLOW) model and the other transport models examined. Chemical reaction rates and radiative rates in GLOW were updated using recent publications, and predictions showed better agreement with the other models and the same-volume data, stressing that these rates are important to consider when modeling auroral processes. Predictions by each model exhibit similar behavior for varying atmospheric constants, energies, and energy fluxes. Same-volume electron data and images are highly correlated with predictions by each model, showing that these models can be used to accurately derive electron characteristics and ionospheric parameters based solely on multispectral optical imaging data.

  18. TU-CD-207-02: Quantification of Breast Lesion Compositions Using Low-Dose Spectral Mammography: A Feasibility Study

    Energy Technology Data Exchange (ETDEWEB)

    Cho, H; Ding, H; Sennung, D; Kumar, N; Molloi, S [Department of Radiological Sciences, University of California, Irvine, CA (United States)

    2015-06-15

    Purpose: To investigate the feasibility of measuring breast lesion composition with spectral mammography using physical phantoms and bovine tissue. Methods: Phantom images were acquired with a spectral mammography system with a silicon-strip based photon-counting detector. Plastic water and adipose-equivalent phantoms were used to calibrate the system for dual-energy material decomposition. The calibration phantom was constructed in range of 2–8 cm thickness and water densities in the range of 0% to 100%. A non-linear rational fitting function was used to calibrate the imaging system. The phantom studies were performed with uniform background phantom and non-uniform background phantom. The breast lesion phantoms (2 cm in diameter and 0.5 cm in thickness) were made with water densities ranging from 0 to 100%. The lesion phantoms were placed in different positions and depths on the phantoms to investigate the accuracy of the measurement under various conditions. The plastic water content of the lesion was measured by subtracting the total decomposed plastic water signal from a surrounding 2.5 mm thick border outside the lesion. In addition, bovine tissue samples composed of 80 % lean were imaged as background for the simulated lesion phantoms. Results: The thickness of measured and known water contents was compared. The rootmean-square (RMS) errors in water thickness measurements were 0.01 cm for the uniform background phantom, 0.04 cm for non-uniform background phantom, and 0.03 cm for 80% lean bovine tissue background. Conclusion: The results indicate that the proposed technique using spectral mammography can be used to accurately characterize breast lesion compositions.

  19. TU-CD-207-02: Quantification of Breast Lesion Compositions Using Low-Dose Spectral Mammography: A Feasibility Study

    International Nuclear Information System (INIS)

    Cho, H; Ding, H; Sennung, D; Kumar, N; Molloi, S

    2015-01-01

    Purpose: To investigate the feasibility of measuring breast lesion composition with spectral mammography using physical phantoms and bovine tissue. Methods: Phantom images were acquired with a spectral mammography system with a silicon-strip based photon-counting detector. Plastic water and adipose-equivalent phantoms were used to calibrate the system for dual-energy material decomposition. The calibration phantom was constructed in range of 2–8 cm thickness and water densities in the range of 0% to 100%. A non-linear rational fitting function was used to calibrate the imaging system. The phantom studies were performed with uniform background phantom and non-uniform background phantom. The breast lesion phantoms (2 cm in diameter and 0.5 cm in thickness) were made with water densities ranging from 0 to 100%. The lesion phantoms were placed in different positions and depths on the phantoms to investigate the accuracy of the measurement under various conditions. The plastic water content of the lesion was measured by subtracting the total decomposed plastic water signal from a surrounding 2.5 mm thick border outside the lesion. In addition, bovine tissue samples composed of 80 % lean were imaged as background for the simulated lesion phantoms. Results: The thickness of measured and known water contents was compared. The rootmean-square (RMS) errors in water thickness measurements were 0.01 cm for the uniform background phantom, 0.04 cm for non-uniform background phantom, and 0.03 cm for 80% lean bovine tissue background. Conclusion: The results indicate that the proposed technique using spectral mammography can be used to accurately characterize breast lesion compositions

  20. Study of the molecular mechanism of decreased liver synthesis of albumin in inflamation

    NARCIS (Netherlands)

    H.J. Moshage; J.A.M.J.L. Janssen (Joseph); J.H. Franssen; J.C. Hafkenscheid; S.H. Yap

    1987-01-01

    textabstractHypoalbuminemia in inflammatory disorders is not an infrequent finding. However, little is known about albumin synthesis in these patients. In the present study we have measured the albumin synthesis in four patients with inflammatory diseases using the [14C]carbonate

  1. Transition metal complexes of a new 15-membered [N5] penta-azamacrocyclic ligand with their spectral and anticancer studies

    Science.gov (United States)

    El-Boraey, Hanaa A.; Serag El-Din, Azza A.

    2014-11-01

    Novel penta-azamacrocyclic 15-membered [N5] ligand [L] i.e. 1,5,8,12-tetetraaza-3,4: 9,10-dibenzo-6-ethyl-7-methyl-1,12-(2,6-pyrido)cyclopentadecan-5,7 diene-2,11-dione and its transition metal complexes with Co(II), Ni(II), Cu(II), Ru(III) and Pd(II) have been synthesized and structurally characterized by elemental analysis, spectral, thermal as well as magnetic and molar conductivity measurements. On basis of IR, MS, UV-Vis 1H NMR and EPR spectral studies an octahedral geometry has been proposed for all complexes except Co(II), Cu(II) nitrate complexes and Pd(II) chloride complex that adopt tetrahedral, square pyramidal and square planar geometries, respectively. The antitumor activity of the synthesized ligand and some complexes against human breast cancer cell lines (MCF-7) and human hepatocarcinoma cell lines (HepG2) has been studied. The complexes (IC50 = 2.04-9.7, 2.5-3.7 μg/mL) showed potent antitumor activity comparable with their ligand (IC50 = 11.7, 3.45 μg/mL) against the above mentioned cell lines, respectively. The results evidently show that the activity of the ligand becomes more pronounced and significant when coordinated to the metal ion.

  2. Shape of argon spectral lines emitted from an electric arc (P=760 Torr). Study and application of pressure broadening

    International Nuclear Information System (INIS)

    Kretzas, Dimitrios.

    1978-01-01

    We have studied the broadening and shift of argon spectral lines corresponding to 3p 5 5p-3p 5 4s and 3p 5 4p-3p 5 4s transitions emitted from an electric arc burning under atmospheric pressure. We have revealed the broadening due to neutral atoms pressure effect, distinguishing the transitions whose lower level is a metastable one (1s 3 and 1s 5 ) or a level of strong (1s 2 ) or feeble resonance (1s 4 ). In this study we have employed a mixture of argon (98%) and hydrogen (2%); hydrogen's feeble proportion does not perturb much the discharge and is very suitable for the measure of the electronic density. The important departure of L.T.E. has guided us to imagine and apply an original method to measure the temperature and the overpopulation of the neutral atoms in the fondamental state. Our method which is independent of the existence of L.T.E. is based on the different behavior of the spectral lines which are under the influence of the resonance or Van der Waals broadening. The measure of the broadening constants which in the resonance case are independent of the temperature and vary as Tsup(0,3) for V.d.W's broadening, give us a suitable tool to measure the density and the temperature of the neutral atoms [fr

  3. IR spectral studies of the formation of prebiological organic molecules in ion-bombarded ices

    Science.gov (United States)

    Hudson, R.; Moore, M.

    To better understand the formation of C- and CN-containing molecules in cold cosmic environments we have performed a variety of processing experiments on icy mixtures. We will discuss details of condensed-phase synthetic pathways for several acids, alcohols, and aldehydes. For N2 -rich ices containing CH4 , we will show that several CN-bonded acids are easily formed. We will compare carbonic and formic acid production in H O-, CO- and CO2 -dominated ices.2 Condensed-phase pathways for the synthesis of several alcohols including methanol and ethylene glycol, along with several aldehydes including formaldehyde and acetaldehyde, will be discussed. While warming irradiated ices, IR spectra help track the formation of new species from, for example, radical or acid-base reactions, and the loss of species due to vaporization. These experiments demonstrate that condensed-phase reactions lead to cometary and interstellar molecules of varying volatilities. Several newly synthesized species are particularly relevant to recent radio detections, and are of high interest to astronomers and astrobiologists. This research is funded through NRA 344-33-01 and 344-02-57.

  4. Study of time dependence and spectral composition of the signal in circuit of ac electric point motors

    Directory of Open Access Journals (Sweden)

    S. Yu. Buryak

    2014-12-01

    Full Text Available Purpose. The paper is aimed to establish the dependence of changes in the time domain and spectral components of the current in the circuit of the AC electric point motor on its technical condition, to identify the common features for the same type of damage. It is necessary using the analysis of the received signals to carry out the remote diagnosis and determination of faults and defects of electric point motors. In addition it suggested to accelerate the process of the failure, malfunction and damage search. Authors propose the automated approach to the service of remote floor automation equipment, which is located in the envelope of trains. Reduction of the threat to life and health of staff by reducing the residence time in the zone of train movement. Reduce the impact of human factors on the result of service. Methodology. The paper studies the structure, parameters and characteristics, the operation and maintenance characteristics of the AC electric point motors. Determination of the main types of possible faults in the process depending on the operating conditions. Presentation of the electric motor as an object of diagnosis. Findings. The time dependences of the current in the circuit of electric point motor for its various states was obtained. The connection between the technical condition of electric point motor and the performance of current curve in time and spectral domains was established. The revealed deviations from the reference signal were justified. According to the obtained results it was made the conclusion. Originality. A method for diagnosing the state of the AC electric point motor by the time dependence and the spectral composition of the current in its circuit was proposed. The connection diagram to the motor windings based on non-infringement of electric parameters of connection circuit in the actual operating conditions was applied. Practical value. The obtained results suggest the possibility and feasibility of

  5. Synthesis and structural studies of copper sulfide nanocrystals

    Directory of Open Access Journals (Sweden)

    Peter A. Ajibade

    Full Text Available We report the synthesis and structural studies of copper sulfide nanocrystals from copper(II dithiocarbamate single molecule precursors. The optical studies of the as-prepared copper sulfide nanoparticles were carried out using UV–Visible and photoluminescence spectroscopy. The absorption spectra show absorption band edges at 287 nm and exhibit considerable blue shift that could be ascribed to the quantum confinement effects as a result of the small crystallite sizes of the nanoparticles and the photoluminescence spectra show emission curves that are red shifted with respect to the absorption band edges. The structural studies were carried out using powder X-ray diffraction, transmission electron microscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy and atomic force microscopy. The XRD patterns revealed the formation of hexagonal structure of covellite CuS with estimated crystallite sizes of 17.3–18.6 nm. The TEM images showed particles with almost spherical or rod shapes with average crystallite sizes of 3–9.8 nm. SEM images showed morphology with ball-like microsphere on the surfaces and EDS spectra confirmed the presence of CuS nanoparticles. Keywords: CuS, Dithiocarbamate, Nanoparticles, Electron microscopy, AFM

  6. Study on theta-pinch turbulent plasma parameters by Stark broadenning of hydrogen-like helium ion spectral lines

    International Nuclear Information System (INIS)

    Bardinov, A.A.; Berezin, A.B.; Burtsev, V.A.; Lyublin, B.V.; Ratkevich, V.K.; Smirnov, V.G.; Solnyshkov, D.A.; Yasevich, V.Yu.

    1986-01-01

    A method for studying parameters of turbulent fields excited in a high-temperature plasma based on the analysis of a hydrogen-like helium ion He 2 having the ionization potential 4 times greater than that of a hydrogen atom is proposed. If turbulent oscillations are excited in plasma, their electric fields also broaden the spectral lines due to the Stark effect that can be used for studying characteristics of these fields. The method is used for studying parameters of the θ-pinch turbulent plasma, when the θ-pinch discharge is initiated in a quartz discharge chamber 6 cm in diameter. The experiments have permitted to find the θ-pinch plasma parameters. They have shown the prospecs of using the Stark broadening of hydrogen-like ions for studying characteristics of instabilities excited in a hot plasma

  7. Synthesis, magnetic and spectroscopic studies of Ni(II), Cu(II), Zn(II ...

    African Journals Online (AJOL)

    trihydroxybenzohydrazide) was prepared by refluxing of trihydroxybenzhydrazide with an ethanolic of 5-bromo-2-hydroxybenzaldehyde. The ligand ... KEY WORDS: Hydrazone complexes, Schiff base ligand, Spectral studies. Bull. Chem. Soc.

  8. Acute central serous chorioretinopathy: a correlation study between fundus autofluorescence and spectral-domain OCT.

    Science.gov (United States)

    Iacono, Pierluigi; Battaglia, Parodi Maurizio; Papayannis, Alexandros; La Spina, Carlo; Varano, Monica; Bandello, Francesco

    2015-11-01

    To evaluate the correlation between fundus autofluorescence (FAF) and spectral-domain OCT (SD-OCT) morphological analysis in eyes with acute central serous chorioretinopathy (CSCR). Thirty-one patients with a first episode of CSCR and symptom duration of less than 6 weeks were prospectively enrolled. FAF and SD-OCT examination were performed at baseline and at 2-month intervals. Main outcome measure was the correlation between FAF and SD-OCT retinal morphology. At baseline, 30/31 and 29/31 eyes showed a macular hypo-AF, corresponding to the neurosensory retinal detachment (SRD), on shortwave-FAF (SW-FAF) and near-infrared-FAF (NIR-FAF), respectively. While the SRD resolved, both FAF techniques showed a granular hyper-AF in 31 eyes. At first examination, SD-OCT confirmed the SRD with a photoreceptor outer-segment (OS) elongation in all cases. During SRD resolution, the photoreceptor layer appeared thicker and fragmented. Multiple hyper-reflective precipitates were detected in the outer plexiform and nuclear layer and between the photoreceptors and appeared colocalized with the hyper-AF dots composing the granular hyper-AF. After SRD resolution, the hypo-AF area reverted to a normal pattern on SW-FAF in all eyes and in 25/31 on NIR-FAF. Examination at 12 months showed that the granular hyper-AF was still detectable in 54 % eyes, whereas 6/31 eyes showed hypo-AF dots on NIR-FAF. On SD-OCT, the junction IS/OS was identifiable in 11/31 eyes soon after the SRD resolution and appeared completely restored in all patients at the final visit. The simultaneous acquisition of FAF and SD-OCT provides detailed findings of retinal abnormalities of CSCR and may help to understand the evolving process linked to CSCR.

  9. EEG Spectral Generators Involved in Motor Imagery: A swLORETA Study

    Directory of Open Access Journals (Sweden)

    Ana-Maria Cebolla

    2017-12-01

    Full Text Available In order to characterize the neural generators of the brain oscillations related to motor imagery (MI, we investigated the cortical, subcortical, and cerebellar localizations of their respective electroencephalogram (EEG spectral power and phase locking modulations. The MI task consisted in throwing a ball with the dominant upper limb while in a standing posture, within an ecological virtual reality (VR environment (tennis court. The MI was triggered by the visual cues common to the control condition, during which the participant remained mentally passive. As previously developed, our paradigm considers the confounding problem that the reference condition allows two complementary analyses: one which uses the baseline before the occurrence of the visual cues in the MI and control resting conditions respectively; and the other which compares the analog periods between the MI and the control resting-state conditions. We demonstrate that MI activates specific, complex brain networks for the power and phase modulations of the EEG oscillations. An early (225 ms delta phase-locking related to MI was generated in the thalamus and cerebellum and was followed (480 ms by phase-locking in theta and alpha oscillations, generated in specific cortical areas and the cerebellum. Phase-locking preceded the power modulations (mainly alpha–beta ERD, whose cortical generators were situated in the frontal BA45, BA11, BA10, central BA6, lateral BA13, and posterior cortex BA2. Cerebellar-thalamic involvement through phase-locking is discussed as an underlying mechanism for recruiting at later stages the cortical areas involved in a cognitive role during MI.

  10. Simulation study of the aerosol information content in OMI spectral reflectance measurements

    Directory of Open Access Journals (Sweden)

    B. Veihelmann

    2007-06-01

    Full Text Available The Ozone Monitoring Instrument (OMI is an imaging UV-VIS solar backscatter spectrometer and is designed and used primarily to retrieve trace gases like O3 and NO2 from the measured Earth reflectance spectrum in the UV-visible (270–500 nm. However, also aerosols are an important science target of OMI. The multi-wavelength algorithm is used to retrieve aerosol parameters from OMI spectral reflectance measurements in up to 20 wavelength bands. A Principal Component Analysis (PCA is performed to quantify the information content of OMI reflectance measurements on aerosols and to assess the capability of the multi-wavelength algorithm to discern various aerosol types. This analysis is applied to synthetic reflectance measurements for desert dust, biomass burning aerosols, and weakly absorbing anthropogenic aerosol with a variety of aerosol optical thicknesses, aerosol layer altitudes, refractive indices and size distributions. The range of aerosol parameters considered covers the natural variability of tropospheric aerosols. This theoretical analysis is performed for a large number of scenarios with various geometries and surface albedo spectra for ocean, soil and vegetation. When the surface albedo spectrum is accurately known and clouds are absent, OMI reflectance measurements have 2 to 4 degrees of freedom that can be attributed to aerosol parameters. This information content depends on the observation geometry and the surface albedo spectrum. An additional wavelength band is evaluated, that comprises the O2-O2 absorption band at a wavelength of 477 nm. It is found that this wavelength band adds significantly more information than any other individual band.

  11. Dual Energy Spectral CT Imaging for Colorectal Cancer Grading: A Preliminary Study.

    Directory of Open Access Journals (Sweden)

    Hong-Xia Gong

    Full Text Available To assess the diagnostic value of dual energy spectral CT imaging for colorectal cancer grading using the quantitative iodine density measurements in both arterial phase (AP and venous phase (VP.81 colorectal cancer patients were divided into two groups based on their pathological findings: a low grade group including well (n = 13 and moderately differentiated cancer (n = 24, and a high grade group including poorly differentiated (n = 42 and signet ring cell cancer (n = 2. Iodine density (ID in the lesions was derived from the iodine-based material decomposition (MD image and normalized to that in the psoas muscle to obtain normalized iodine density (NID. The difference in ID and NID between AP and VP was calculated.The ID and NID values of the low grade cancer group were, 14.65 ± 3.38 mg/mL and 1.70 ± 0.33 in AP, and 21.90 ± 3.11 mg/mL and 2.05 ± 0.32 in VP, respectively. The ID and NID values for the high grade cancer group were 20.63 ± 3.72 mg/mL and 2.95 ± 0.72 in AP, and 26.27 ± 3.10mg/mL and 3.51 ± 1.12 in VP, respectively. There was significant difference for ID and NID between the low grade and high grade cancer groups in both AP and VP (all p<0.001. ROC analysis indicated that NID of 1.92 in AP provided 70.3% sensitivity and 97.7% specificity in differentiating low grade cancer from high grade cancer.The quantitative measurement of iodine density in AP and VP can provide useful information to differentiate low grade colorectal cancer from high grade colorectal cancer with NID in AP providing the greatest diagnostic value.

  12. Studies on bismuth carboxylates—synthesis and characterization of ...

    Indian Academy of Sciences (India)

    synthesis and characterization of a new structural form of bismuth(III) dipicolinate ... Synthesis and X-ray structure of a new bismuth dipicolinate cooordination polymer, {[Bi((2,6-O2C)2C5H3N)((2-HO2C-6-O2C)C5H3N)(H2O)]2.5H2O} (7) are ...

  13. [Studies on discovery and synthesis of bioactive marine organic molecules].

    Science.gov (United States)

    Yamada, Yasuji

    2002-10-01

    This paper describes the discovery and total synthesis of bioactive marine natural products conducted in our laboratory. Clavulone, chlorovulone, bromovulone, and iodovulone are antitumor marine prostanoids isolated from the Okinawan soft coral Clavularia viridis. The synthesis of clavulone and chlorovulone was achieved from chiral 4-hydroxy-2-cyclopentenone. Marine prostanoid punaglandins 3 and 4 were synthesized via similar methodology. The chemical structures of punaglandins 3 and 4 were revised by these syntheses. Dollaberane-type diterpenoid stolonidiol and claenone were isolated from Okinawan soft coral Clavularia sp. Stolonidiol showed potent choline acetyltransferase-inducible activity in cultured basal forebrain cells. The synthesis of stolondiol and claenone was conducted via sequential Michael reaction and retro-aldol reaction. Aragusterols, isolated from the Okinawan marine sponge Xestospongia sp., are structurally unique steroids possessing a rare 26,27-cyclo structure in the side chain. Aragusterols express potent in vivo antitumor activity against L1210 leukemia in mice. The synthesis of aragusterols was carried out via steroselective construction of the side chain and stereocontrolled coupling reaction with the steroid skeleton. Kalihinane-type diterpenoid kalihinol A, isolated by Scheuer, has remarkable in vitro antimalarial activity. The absolute configuration of kalihinol A was determined by applying the CD exciton chiral method. Synthesis of kalihinene X, a kalihinane-type diterpenoid, was achieved. This synthesis involves the regioselective coupling reaction of carbanion of alkyl sulfone with epoxyalcohol and construction of cis-decalin by an intramolecular Diels-Alder reaction.

  14. Synthesis of potentially bioactive compounds and tools for biological studies

    International Nuclear Information System (INIS)

    Cappa, F.

    2014-01-01

    NMR spectroscopy is one of the most versatile tools for studying structural parameters of organic and bioorganic compounds. It became a highly suitable method to achieve spectra simplification of macromolecules in combination with isotope labeling techniques. This technique is used to study protein structures, folding properties and mechanisms of chemical and biochemical reactions. Proteins typically feature a high molecular mass showing a high number of spin systems, being responsible for increasingly difficult to interpret NMR spectra, which is why it is essential to introduce 13 C- and 15 N- isotopes to obtain reasonable signal intensities. The development of a new synthetic route towards 13 C-isotope labeled Phenylalanine or precursors thereof, starting from inexpensive and easily accessible labeled starting materials, is the main purpose of this work. Label sources such as [ 13 C]-acetic acid, [ 13 C]-formaldehyde, [ 13 C]-allyl alcohol and [ 13 C]-glycine will be used. The synthetic pathway will be carried out in a way where the position-selective incorporation of labeled isotopes can be performed. This important feature of the synthesis may open access towards newly designed NMR-experiments. Key steps for the tested route are ring closing metatheses as well as indium mediated reactions. The second part of this work focuses on the field of sugar chemistry, in particular on the family of deoxy sugars, components of many natural products, found in different plants, fungi and bacteria. Deoxy sugars also participate in a wide range of biological processes. Special focus is given to 3-deoxy sugars and the research of a versatile and flexible synthetic route for their preparation starting from the easily accessible D-glyceraldehyde. These sugars are found on Gram-negative bacteria where they are a key component of the lipopolysaccharides, or where they can take place in the biosynthesis of aromatic amino acids in bacteria and plants. Being able to perform this

  15. Synthesis and Spectral Analysis of 3,4,5-trichloro-6-(dibenzo[d,f][1,3]diazepin-5-yl-[1,2]-benzoquinones

    Directory of Open Access Journals (Sweden)

    Mohsen A. M. Gomaa

    2011-01-01

    Full Text Available Reaction of N1,N2-di-(4-methoxyphenyl- or N1,N2-di-(4-hydroxyphenyl -amidines (1a-d with 3,4,5,6-tetrachloro-1,2-benzoquinone (2 in ethyl acetate at room temperature led to formation of new 3,4,5-trichloro-6-(2-hydroxy-6-methyldibenzo[d,f][1,3]diazepin-5-yl[1,2]-benzoquinones (3a-d in addition to N-aryl-N'-(6,7,8,9-tetrachloro-4-hydroxydibenzo-[1,4]dioxin-2-ylacetamidines (4a,b. The rational of formation of products 3a-d and 4a,b was discussed and structures were confirmed on the basis of elemental analysis and spectral data.

  16. A Population Synthesis Study of Terrestrial Gamma-ray Flashes

    Science.gov (United States)

    Cramer, E. S.; Briggs, M. S.; Stanbro, M.; Dwyer, J. R.; Mailyan, B. G.; Roberts, O.

    2017-12-01

    In astrophysics, population synthesis models are tools used to determine what mix of stars could be consistent with the observations, e.g. how the intrinsic mass-to-light ratio changes by the measurement process. A similar technique could be used to understand the production of TGFs. The models used for this type of population study probe the conditions of electron acceleration inside the high electric field regions of thunderstorms, i.e. acceleration length, electric field strength, and beaming angles. In this work, we use a Monte Carlo code to generate bremsstrahlung photons from relativistic electrons that are accelerated by a large-scale RREA thunderstorm electric field. The code simulates the propagation of photons through the atmosphere at various source altitudes, where they interact with air via Compton scattering, pair production, and photoelectric absorption. We then show the differences in the hardness ratio at spacecraft altitude between these different simulations and compare them with TGF data from Fermi-GBM. Such comparisons can lead to constraints that can be applied to popular TGF beaming models, and help determine whether the population presented in this study is consistent or not with reality.

  17. Spectral studies of ocean water with space-borne sensor SCIAMACHY using Differential Optical Absorption Spectroscopy (DOAS

    Directory of Open Access Journals (Sweden)

    M. Vountas

    2007-09-01

    Full Text Available Methods enabling the retrieval of oceanic parameter from the space borne instrumentation Scanning Imaging Absorption Spectrometer for Atmospheric ChartographY (SCIAMACHY using Differential Optical Absorption Spectroscopy (DOAS are presented. SCIAMACHY onboard ENVISAT measures back scattered solar radiation at a spectral resolution (0.2 to 1.5 nm. The DOAS method was used for the first time to fit modelled Vibrational Raman Scattering (VRS in liquid water and in situ measured phytoplankton absorption reference spectra to optical depths measured by SCIAMACHY. Spectral structures of VRS and phytoplankton absorption were clearly found in these optical depths. Both fitting approaches lead to consistent results. DOAS fits correlate with estimates of chlorophyll concentrations: low fit factors for VRS retrievals correspond to large chlorophyll concentrations and vice versa; large fit factors for phytoplankton absorption correspond with high chlorophyll concentrations and vice versa. From these results a simple retrieval technique taking advantage of both measurements is shown. First maps of global chlorophyll concentrations were compared to the corresponding MODIS measurements with very promising results. In addition, results from this study will be used to improve atmospheric trace gas DOAS-retrievals from visible wavelengths by including these oceanographic signatures.

  18. Luminescence and Electronic Spectral Studies of Some Synthesized Lanthanide Complexes Using Benzoic Acid Derivative and o-Phenanthroline.

    Science.gov (United States)

    Wankar, Sneha; Limaye, S N

    2015-07-01

    Lanthanide complexes of p-nitrobenzoic acid(p-NBA) and o-phenanthroline(o-phen) namely [Ln2(Phen)2(p-NBA)3(NO3)2].2H2O where, Ln = Sm(III),Tb(III),Dy(III) and [Eu2(Phen)2(p-NBA)3].4H2O were synthesized and further characterized by Elemental analysis, UV spectroscopy, IR spectroscopy, (1)HNMR spectroscopy. Luminescence measurements were performed on all compounds in ethanolic solution. These complexes have showed narrow emission indicating that the organic ligands are better energy absorber and capable of transferring energy to the Ln (III) ion. Furthermore, we reported electronic spectral studies on [Eu2 (Phen)2 (p-NBA)3].4H2O in order to calculate following parameters, viz: Oscillator strength (f), Judd-Ofelt parameters Ωλ (λ = 2,4,6) and Radiative parameters. [Eu2 (o-Phen)2 (p-NBA)3].4H2O showed the strongest emission at 613 nm corresponds to (5)D0→(7)F2 hypersensitive transition, this emission is very sensitive to the environment. However, the larger value of Ω2 supports the presence of the hypersensitive transition (5)D0→(7)F2 which strictly depends on the nature of ligand. All electronic spectral parameters were calculated systemically.

  19. Spectral Automorphisms in Quantum Logics

    Science.gov (United States)

    Ivanov, Alexandru; Caragheorgheopol, Dan

    2010-12-01

    In quantum mechanics, the Hilbert space formalism might be physically justified in terms of some axioms based on the orthomodular lattice (OML) mathematical structure (Piron in Foundations of Quantum Physics, Benjamin, Reading, 1976). We intend to investigate the extent to which some fundamental physical facts can be described in the more general framework of OMLs, without the support of Hilbert space-specific tools. We consider the study of lattice automorphisms properties as a “substitute” for Hilbert space techniques in investigating the spectral properties of observables. This is why we introduce the notion of spectral automorphism of an OML. Properties of spectral automorphisms and of their spectra are studied. We prove that the presence of nontrivial spectral automorphisms allow us to distinguish between classical and nonclassical theories. We also prove, for finite dimensional OMLs, that for every spectral automorphism there is a basis of invariant atoms. This is an analogue of the spectral theorem for unitary operators having purely point spectrum.

  20. Electromyographic studies in abdominal exercises: a literature synthesis.

    Science.gov (United States)

    Monfort-Pañego, Manuel; Vera-García, Francisco J; Sánchez-Zuriaga, Daniel; Sarti-Martínez, Maria Angeles

    2009-01-01

    The purpose of this article is to synthesize the literature on studies that investigate electromyographic activity of abdominal muscles during abdominal exercises performance. MEDLINE and Sportdiscus databases were searched, as well as the Web pages of electronic journals access, ScienceDirect, and Swetswise, from 1950 to 2008. The terms used to search the literature were abdominal muscle and the specific names for the abdominal muscles and their combination with electromyography, and/or strengthening, and/or exercise, and/or spine stability, and/or low back pain. The related topics included the influence of the different exercises, modification of exercise positions, involvement of different joints, the position with supported or unsupported segments, plane variation to modify loads, and the use of equipment. Studies related to abdominal conditioning exercises and core stabilization were also reviewed. Eighty-seven studies were identified as relevant for this literature synthesis. Overall, the studies retrieved lacked consistency, which made it impossible to extract aggregate estimates and did not allow for a rigorous meta-analysis. The most important factors for the selection of abdominal strengthening exercises are (a) spine flexion and rotation without hip flexion, (b) arm support, (c) lower body segments involvement controlling the correct performance, (d) inclined planes or additional loads to increase the contraction intensity significantly, and (e) when the goal is to challenge spine stability, exercises such as abdominal bracing or abdominal hollowing are preferable depending on the participants' objectives and characteristics. Pertaining to safety criteria, the most important factors are (a) avoid active hip flexion and fixed feet, (b) do not pull with the hands behind the head, and (c) a position of knees and hips flexion during upper body exercises. Further replicable studies are needed to address and clarify the methodological doubts expressed in this

  1. An in situ study of resin-assisted solvothermal metal-organic framework synthesis

    International Nuclear Information System (INIS)

    Moorhouse, Saul J.; Wu, Yue; O’Hare, Dermot

    2016-01-01

    A newly developed in situ monochromatic high-energy X-ray diffraction setup was used to investigate the synthesis of MOFs using cation-impregnated polymer resin beads as a ion source. The Co–NDC–DMF (NDC=2,6-naphthalenedicarboxylate; DMF=dimethylformamide) system was investigated, a system which is known to produce at least three distinct frameworks. It was found that the resin-assisted synthesis results in the preferential formation of a topology previously impossible to synthesise in bulk, while the comparable nitrate-salt synthesis appeared to form an alternative phases. It was also found that the resin-assisted synthesis is highly diffusion-controlled. - Graphical abstract: In situ monochromatic high-energy X-ray diffraction study of a MOF synthesis. - Highlights: • Resin-assisted solvothermal MOF synthesis was studied using in situ diffraction. • Full kinetics of reaction can be obtained from in situ data. • Kinetics show that this resin-assisted synthesis is diffusion controlled. • Resin-assisted synthesis enables the production of an alternative bulk phase.

  2. Studies of linear Gramicidin synthesis in Bacillus brevis ATCC 8185

    International Nuclear Information System (INIS)

    Kubota, Kou; Kagawa, Kenichi

    1976-01-01

    Bacillus brevis ATCC 8185 was grown in polypepton and Ehrlich's meat extract medium, and this strain produced two kinds of peptide antibiotics, Tyrocidine and linear Gramicidin. A simple chromatographic method was developed for the isolation of linear Gramicidin from mixture Tyrothricin, applied on the column. Trimethoprim, an inhibitor of dihydrofolate reductase, inhibits the synthesis of both peptides in the growing culture with slight inhibition to cell growth. Serine- 14 C is incorporated in the Gramicidin, and recovered as ethanol amine and glycine by the hydrolysis of 14 C-labeled Gramicidin, but deoxypyridoxine-HCl, B 6 antagonist, has no effect on the production of antibiotics in the culture. Linear Gramicidin gives two spots on the thin layer chromatogram (TLC) developed by ethyl acetate-pyridine-water system of 16:4:2, and by chloroform-methanol-water system of 17:3:0.3. The incorporations of constitutive 14 C-labeled amino acids, ethanol amine, and sodium formate into linear Gramicidin were studied by growing cells. These labeled specimens were identified to correspond to authentic specimens which migrated on TLC. Cells were hydrolysed with Lysozyme, and the crude extract was prepared between 0.33 and 0.45 saturation of ammonium sulfate. It activated constituent amino acids including D-leucine by ATP- 32 PPi exchange reaction, but hardly activated L-serine, D-valine, and formyl L-valine. (Kobatake, H.)

  3. Synthesis and study of sericin-g-PLA

    Science.gov (United States)

    Saetae, S.; Magaraphan, R.

    2015-05-01

    In this paper we present an experiment for bulk synthesis of the sericin-g-PLA by using Sn(Oct)2 as catalyst and study the effect of Thai silk cocoon species (Dok Bua, Luang Pirote, Nang Noi and Nang Lai) on properties of the sericin-g-PLA. We investigated the chemical structure of the grafted copolymers by using FTIR and GPC. Moreover, the grafting percentage was determined by soxhlet extaction. The IR spectra of extracted sample showed peaks at 1188 and 1215 cm-1 that assigned to the symmetric C-O-C stretching modes of the ester group. The methyl rocking stretching and C-CH3 vibration of polylactide appeared at 1130 and 1045 cm-1, respectively. The peak positioned 3440 cm-1 belonged to the hydroxyl group and the amino group of sericin which became less after polymerized with lactide. These evidences suggested that the lactide was reacted with sericin. Also, the molecular weight of the grafted copolymers were in range from 5.2 to 6.1 kg/mole. And Nang Lai-g-PLA showed the highest grafting percentage of the grafted copolymers.

  4. Remote Sensing Study of the Influence of Different Herbicides on the Leaf Spectral Reflectance and Fluorescence of Pea Plants (Pisum sativum L.)

    Science.gov (United States)

    Krezhova, Dora; Yanev, Tony; Iliev, Ilko; Alexieva, Vera; Tsaneva, Mariana

    The effective use of airborne and satellite-based remote sensor systems in resource management, agriculture, mineral exploration and environmental monitoring requires an understanding of the nature and limitations of the high-resolution remote sensing data and of various strategies for processing and interpreting it. In developing the necessary knowledge base, ground-based measurements are the expedient source of information. In this study, remote sensing techniques were applied in laboratory for detection of the influence of herbicides 2.4-D, glyphosate, fluridone and acifluorfen on the leaf spectral reflectance and fluorescence of pea plants (Pisum sativum L.). According to the classification of the Herbicide Resistance Action Committee with reference to their mode of action they belong to different groups: synthetic auxins - O (2.4-D), inhibition of EPSP synthase - G (glyphosate), photobleaching - F1 (fluridone), and inhibition of PPO - E (acifluorfen). During the last 40 years, these herbicides are among the ones used most widely in agriculture worldwide. The plants studied were grown hydroponically in a growth chamber in a nutritious medium to which every herbicide was added at two low concentrations (1 µM, 0.1 µM) with respect to the field dose applied in the agricultural practice. High-resolution spectral data for leaf spectral reflectance and fluorescence were collected from freshly detached leaves using three multichannel spectrometers. Spectral reflectance characteristics were obtained from the leaf reflectance referenced against a standard (white diffuse screen) in the visible and near infrared ranges of the electromagnetic spectrum (450÷850 nm). Fluorescence spectra were taken in the spectral range 650-850 nm. To assess the changes arising in leaf spectral reflectance under the herbicide action we developed and applied an analytical approach based on discriminant analysis and other statistical methods. The spectral characteristics were analyzed in

  5. Spectral analysis by correlation

    International Nuclear Information System (INIS)

    Fauque, J.M.; Berthier, D.; Max, J.; Bonnet, G.

    1969-01-01

    The spectral density of a signal, which represents its power distribution along the frequency axis, is a function which is of great importance, finding many uses in all fields concerned with the processing of the signal (process identification, vibrational analysis, etc...). Amongst all the possible methods for calculating this function, the correlation method (correlation function calculation + Fourier transformation) is the most promising, mainly because of its simplicity and of the results it yields. The study carried out here will lead to the construction of an apparatus which, coupled with a correlator, will constitute a set of equipment for spectral analysis in real time covering the frequency range 0 to 5 MHz. (author) [fr

  6. Bridging ligands in organometallic chemistry. II. Synthesis and reactivity of the green dimer of molybdenocene containing a bridging fulvalene ligand

    Energy Technology Data Exchange (ETDEWEB)

    Smart, J.C.; Curtis, C.J.

    1978-11-01

    Synthesis, precipitation, and isolation of dicyclopentadienyl(fulvalene)dihydridomolybdenum are described. The compound was used in reaction studies involving the addition of carbon monoxide and deprotonation with n-butyllithium. Data for elemental analysis, ir spectral and NMR(in toluene-d) spectral analysis are reported for the title compound and its reaction products.

  7. Synthesis and studies of antibacterial activity of pongaglabol

    Indian Academy of Sciences (India)

    Unknown

    Introduction. Pongamia glabra Vent. (Leguminosae) is one of the most commonest and useful medicinal plants of In- dia.1. The isolation and characterization of pon- ..... gave the corresponding chalcone 5 in good yield as yellow needles; m.p. 151–152°C. The spectral data. (UV, IR and 1H NMR) confirmed compound 5 as.

  8. synthesis, characterization and antibacterial studies of some metal ...

    African Journals Online (AJOL)

    Preferred Customer

    region due to L → L* transitions, only. As expected, the electronic spectra of these complexes do not furnish any useful information on their stereochemistry. However, on the basis of analytical, conductance and infrared spectral data, a tetrahedral geometry is proposed for the. Zn(II), Cd(II) and Hg(II) complexes. ESR and 1H ...

  9. Synthesis and studies of antibacterial activity of pongaglabol

    Indian Academy of Sciences (India)

    Pongaglabol [8-hydroxy-5-phenyl-furo[2,3-h]benzo(b)pyran-7-one] was synthesized and tested for antibacterial effects against Shigella dysenteriae, Salmonella typhi, Streptococcus -haemolyticus and Staphylococcus aureus. The synthesized compounds were characterized using UV, IR and 1H NMR spectral data.

  10. Spectral clustering for water body spectral types analysis

    Science.gov (United States)

    Huang, Leping; Li, Shijin; Wang, Lingli; Chen, Deqing

    2017-11-01

    In order to study the spectral types of water body in the whole country, the key issue of reservoir research is to obtain and to analyze the information of water body in the reservoir quantitatively and accurately. A new type of weight matrix is constructed by utilizing the spectral features and spatial features of the spectra from GF-1 remote sensing images comprehensively. Then an improved spectral clustering algorithm is proposed based on this weight matrix to cluster representative reservoirs in China. According to the internal clustering validity index which called Davies-Bouldin(DB) index, the best clustering number 7 is obtained. Compared with two clustering algorithms, the spectral clustering algorithm based only on spectral features and the K-means algorithm based on spectral features and spatial features, simulation results demonstrate that the proposed spectral clustering algorithm based on spectral features and spatial features has a higher clustering accuracy, which can better reflect the spatial clustering characteristics of representative reservoirs in various provinces in China - similar spectral properties and adjacent geographical locations.

  11. Detection, localization and study of spectral properties of high energy gamma bursts observed in the Fermi experiment

    International Nuclear Information System (INIS)

    Pelassa, V.

    2010-01-01

    Gamma-Ray Bursts (GRB) are among the brightest gamma-ray sources in the sky. The current standard framework associates their prompt gamma-ray emission to charged particles accelerated in relativistic jets issued by newly-formed stellar-mass black holes. The radio to X-ray afterglow emission is due to the interaction between these jets and the interstellar medium. The LAT, pair-creation instrument onboard Fermi gamma-ray space telescope, performs unprecedented observation of the gamma-ray sky at energies of 20 MeV to over 300 GeV since its launch in june 2008. Fermi's transient sources detector (GBM) observed prompt emissions of about 450 GRB between 8 keV and 40 MeV. 18 of these GRB were also studied up to GeV energies with the LAT. Accurate GRB localizations and Fermi's synergy with other observatories allows the study of GRB afterglows, and therefore a better interpretation of these observations. The analyses of GRB emissions between 8 keV to GeV energies is presented here. Localizations based on LAT data and their biases are studied. Spectral analyses of combined GBM and LAT data are shown, and their theoretical interpretations explained. An alternative analysis based on a relaxed selection of LAT data is presented and fully characterized. It allows to recover and use low-energy LAT statistics in temporal and spectral analyses of GRB prompt emission. Searches for long-lived high-energy emission from GRB are presented. The analysis of GRB 090510 afterglow emission from eV to GeV energies is described. Finally, Fermi bright GRB prompt emissions are compared to an internal shock model developed at IAP. (author)

  12. Spectral Cross-Calibration of VIIRS Enhanced Vegetation Index with MODIS: A Case Study Using Year-Long Global Data

    Directory of Open Access Journals (Sweden)

    Kenta Obata

    2016-01-01

    Full Text Available In this study, the Visible Infrared Imaging Radiometer Suite (VIIRS Enhanced Vegetation Index (EVI was spectrally cross-calibrated with the Moderate Resolution Imaging Spectroradiometer (MODIS EVI using a year-long, global VIIRS-MODIS dataset at the climate modeling grid (CMG resolution of 0.05°-by-0.05°. Our cross-calibration approach was to utilize a MODIS-compatible VIIRS EVI equation derived in a previous study [Obata et al., J. Appl. Remote Sens., vol.7, 2013] and optimize the coefficients contained in this EVI equation for global conditions. The calibrated/optimized MODIS-compatible VIIRS EVI was evaluated using another global VIIRS-MODIS CMG dataset of which acquisition dates did not overlap with those used in the calibration. The calibrated VIIRS EVI showed much higher compatibility with the MODIS EVI than the original VIIRS EVI, where the mean error (MODIS minus VIIRS and the root mean square error decreased from −0.021 to −0.003 EVI units and from 0.029 to 0.020 EVI units, respectively. Error reductions on the calibrated VIIRS EVI were observed across nearly all view zenith and relative azimuth angle ranges, EVI dynamic range, and land cover types. The performance of the MODIS-compatible VIIRS EVI calibration appeared limited for high EVI values (i.e., EVI > 0.5 due likely to the maturity of the VIIRS dataset used in calibration/optimization. The cross-calibration methodology introduced in this study is expected to be useful for other spectral indices such as the normalized difference vegetation index and two-band EVI.

  13. Synthesis, structural, spectroscopic and biological studies of Schiff base complexes

    Science.gov (United States)

    Diab, M. A.; El-Sonbati, A. Z.; Shoair, A. F.; Eldesoky, A. M.; El-Far, N. M.

    2017-08-01

    Schiff base ligand 4-((pyridin-2- yl)methyleneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one (PDMP) and its complexes were prepared and characterized on the basis of elemental analysis, IR, mass spectra and thermogravimetric analysis. All results confirm that the complexes have 1:1 (M: PMDP) stoichiometric formula [M(PMDP)Cl2H2O ] (M = Cu(II), Co(II), Ni(II) and Mn(II)), [Cd(PMDP)Cl2] and the ligand behaves as a bi/tridentate forming five-membered chelating ring towards the metal ions, bonding through azomethine nitrogen/exocyclic carbonyl oxygen, azomethine pyridine nitrogen and exocyclic carbonyl oxygen. The shift in the band positions of the groups involved in coordination has been utilized to estimate the metal-nitrogen and/or oxygen bond lengths. The complexes of Co(II), Ni(II) and Cu(II) are paramagnetic and the magnetic as well as spectral data suggest octahedral geometry, whereas the Cd(II) complex is tetrahedral. The XRD studies show that both the ligand and its metal complexes (1 and 3) show polycrystalline with crystal structure. Molecular docking was used to predict the binding between PMDP ligand and the receptors. The corrosion inhibition of mild steel in 2 M HCl solution by PDMP was explored utilizing potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and (EFM) electrochemical frequency modulation method. Potentiodynamic polarization demonstrated that PDMP compound is mixed-type inhibitor. EIS spectra exhibit one capacitive loop and confirm the protective ability. The percentage of inhibition efficiency was found to increase with increasing the inhibitor concentration.

  14. Synthesis, characterization, antimicrobial and biofilm inhibitory studies of new esterquats.

    Science.gov (United States)

    Yasa, Sathyam Reddy; Kaki, Shiva Shanker; Poornachandra, Y; Kumar, C Ganesh; Penumarthy, Vijayalakshmi

    2016-04-15

    Novel esterquats (monoesterquats and diesterquats) were synthesized from 11-bromo undecanoic acid (11-BUA) and different alkyl amines. The prepared compounds were characterized by FT-IR, (1)H NMR, (13)C NMR and mass spectral analysis. 11-BUA was converted into methyl 11-bromo undecanoate which was further converted into amine ester (amine monoester and diester) by reacting with different aliphatic amines (hexyl, dodecyl, octadecyl, dioctyl and dicyclohexyl amine). Finally, the obtained amine esters were converted into esterquats (monoesterquat and diesterquat) by reacting with methyl iodide followed by ion exchange to afford chloride counter ion esterquats (5a-h). The synthesized esterquat products were studied for their antimicrobial and biofilm inhibitory activities. Among all the compounds, amine ester 3a and esterquat 5d showed potent antimicrobial activity towards pathogenic Gram-positive bacterial strains with minimum inhibitory concentration (MIC) values in the range of 3.9-15.6 μg mL(-1) and 1.9-7.8 μg mL(-1), respectively. The esterquat 5d also showed promising antifungal activity against Candida albicans MTCC 3017, Candida albicans MTCC 4748 and Candida aaseri MTCC 1962 strains with MIC value of 7.8 μg mL(-1) which was identical to standard Miconazole. The compounds which exhibited antimicrobial activity were also effective in anti-biofilm activity and it was found that compound 5d exhibited excellent biofilm inhibitory activity with IC50 value of 0.9 μg mL(-1) against Staphylococcus aureus MLS16 MTCC 2940. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Study on hydrothermal synthesis dynamics of nanoscale xonotlite fibers

    Science.gov (United States)

    Liu, F.; Chen, S.; Lin, Q.; Wang, X. D.; Cao, J. X.

    2018-01-01

    The xonotlite crystals were synthesized via the hydrothermal synthesis manner from CaO and SiO2 as the raw materials with their Si/Ca molar ratio of 1.0. Hydrothermal synthesis dynamics of nanoscale xonotlite fibers was explored by masterly measuring the electrical conductivities and the calcium concentrations of product slurries synthesized at various reaction temperature in this paper. The results indicated that the calculated values of the products’ quality at various reaction temperatures were consistent with the measured values. Based on chemical reaction kinetic, using fourth-order Runge-Kutta method, spline interpolation and least-squares fitting method, the dynamic relationship of xonotlite fibers synthesized via hydrothermal synthesis process is of -{dc}A/{dt}={kc}A4/5.

  16. Ruthenium(II) bipyridine complexes bearing quinoline-azoimine (NN'N″) tridentate ligands: synthesis, spectral characterization, electrochemical properties and single-crystal X-ray structure analysis.

    Science.gov (United States)

    Al-Noaimi, Mousa; Abdel-Rahman, Obadah S; Fasfous, Ismail I; El-khateeb, Mohammad; Awwadi, Firas F; Warad, Ismail

    2014-05-05

    Four octahedral ruthenium(II) azoimine-quinoline complexes having the general molecular formula [Ru(II)(L-Y)(bpy)Cl](PF6) {L-Y=YC6H4N=NC(COCH3)=NC9H6N, Y=H (1), CH3 (2), Br (3), NO2 (4) and bpy=2,2'-bipyrdine} were synthesized. The azoimine-quinoline based ligands behave as NN'N″ tridentate donors and coordinated to ruthenium via azo-N', imine-N' and quinolone-N″ nitrogen atoms. The composition of the complexes has been established by elemental analysis, spectral methods (FT-IR, electronic, (1)H NMR, UV/Vis and electrochemical (cyclic voltammetry) techniques. The crystal structure of complex 1 is reported. The Ru(II) oxidation state is greatly stabilized by the novel tridentate ligands, showing Ru(III/II) couples ranging from 0.93-1.27 V vs. Cp2Fe/Cp2Fe(+). The absorption spectrum of 1 in dichloromethane was modeled by time-dependent density functional theory (TD-DFT). Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Isolation, NMR Spectral Analysis and Hydrolysis Studies of a Hepta Pyranosyl Diterpene Glycoside from Stevia rebaudiana Bertoni

    Science.gov (United States)

    Chaturvedula, Venkata Sai Prakash; Chen, Steven; Yu, Oliver; Mao, Guohong

    2013-01-01

    From the commercial extract of the leaves of Stevia rebaudiana Bertoni, a minor steviol glycoside, 13-[(2-O-β-d-glucopyranosyl-3-O-β-d-glucopyranosyl-β-d-glucopyranosyl)oxy] ent-kaur-16-en-19-oic acid-[(2-O-(3-O-β-d-glucopyranosyl-α-l-rhamnopyranosyl)-3-O-β-d-glucopyranosyl-β-d-glucopyranosyl) ester] (1); also known as rebaudioside O having seven sugar units has been isolated. Its structural characterization has been achieved by the extensive 1D (1H and 13C), and 2D NMR (COSY, HMQC, HMBC) as well as mass spectral data. Further, hydrolysis studies were performed on rebaudioside O using acid and enzymatic methods to identify aglycone and sugar residues in its structure as well as their configurations. PMID:24970189

  18. Spectral, Electrochemical, Fluorescence, Kinetic and Anti-microbial Studies of Acyclic Schiff-base Gadolinium(III) Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Vijayaraj, A.; Prabu, R.; Suresh, R.; Narayanan, V.; Sangeetha Kumari, R.; Kaviyarasan, V. [Univ. of Madras, Madras (India)

    2012-11-15

    A new series of acyclic mononuclear gadolinium(III) complexes have been prepared by Schiff-base condensation derived from 5-methylsalicylaldehyde, diethylenetriamine, tris(2-aminoethyl) amine, triethylenetetramine, N,N-bis(3-aminopropyl)ethylene diamine, N,N-bis(aminopropyl) piperazine, and gadolinium nitrate. All the complexes were characterized by elemental and spectral analyses. Electronic spectra of the complexes show azomethine (CH=N) within the range of 410-420 nm. The fluorescence efficiency of Gd(III) ion in the cavity was completely quenched by the higher chain length ligands. Electrochemical studies of the complexes show irreversible one electron reduction process around -2.15 to -1.60 V. The reduction potential of gadolinium(III) complexes shifts towards anodic directions respectively upon increasing the chain length. The catalytic activity of the gadolinium(III) complexes on the hydrolysis of 4-nitrophenylphosphate was determined. All gadolinium(III) complexes were screened for antibacterial activity.

  19. Ammonia synthesis over a Ru(0001) surface studied by density functional calculations

    DEFF Research Database (Denmark)

    Logadottir, Ashildur; Nørskov, Jens Kehlet

    2003-01-01

    In this paper we present DFT studies of all the elementary steps in the synthesis of ammonia from gaseous hydrogen and nitrogen over a ruthenium crystal. The stability and configurations of intermediates in the ammonia synthesis over a Ru(0001) surface have been investigated, both over a flat...... surface and over a stepped surface. The calculations show that the step sites on the surface are much more reactive than the terrace sites. The DFT results are then used to study the mechanism of promotion by alkalies over the Ru(0001) and to determine the rate-determining step in the synthesis of ammonia...

  20. Synthesis, anti-microbial activity and molecular docking studies on ...

    Indian Academy of Sciences (India)

    inflammatory,6 anti-coagulant7 and as inhibitors of lipoxygenase8 and cyclooxygenase.9. Click chemistry10–12 has emerged as a reliable approach for the stereo selective synthesis of 1,2,3- triazole with desired properties. Cycloaddition of azide to alkyne in the presence of copper sulphate and sodium ascorbate to give 1 ...

  1. Synthesis, characterization and antimicrobial studies of bio silica ...

    Indian Academy of Sciences (India)

    37

    disadvantages of flame synthesis [24]. The Laser ablation method has limitations in wavelength of the laser impinging metallic target, duration of laser pulses, laser fluence, duration of ablation and effective liquid medium with or without the presence of surfactants. [25]. Reverse microemulsion method limits its high cost and ...

  2. synthesis and structural studies of first row transition metal ...

    African Journals Online (AJOL)

    a

    deals with the synthesis and characterization of NBHQO and its complexes with chromium(III), manganese(II), iron(III), cobalt(II), nickel(II) and copper(II). EXPERIMENTAL. All the chemicals used were either of AR or chemically pure grade. Mass spectra were recorded on a Perkin-Elmer Hitachi-6L spectrometer and 1H NMR ...

  3. Synthesis, characterization and isotherm studies of new composite ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 39; Issue 7. Synthesis, characterization and isotherm ... With different methods, different molar ratios and different surfactants have been investigated to reach the optimum conditions for synthesized zirconium tungstate (Zr(IV)W). Zr(IV)W with different molar ratios of ...

  4. Synthesis and photooxidation of furylthymines; chemiexcitation model studies

    NARCIS (Netherlands)

    Dannenberg, W.; Feringa, Bernard

    1984-01-01

    A method for the synthesis of 1-(5-methyl-2-furoyl)thymine (7) and 1-(5-methyl-2-furyl)thymine (8) is described. Trimethylsilyliodide catalysed addition of 5-methyl-2,4-bis(trimethylsilyloxy)pyrimidine (9) to 2-methyl-2,5-dihydro-2,5-dimethoxyfuran yielded the new thymine derivative 13.

  5. Synthesis and room temperature single crystal EPR studies of a ...

    Indian Academy of Sciences (India)

    Unknown

    Zn(mbpN).H2O, Ni(mbpN) and Cu(mbpN) are all five-coordinate with the central donor atom coordinated to the metal atom.8,9 The zinc complexes have trigonal bipyramidal geometry, while the copper and nickel complexes have distorted square pyramidal geometry. Hence, in this communication, we describe the synthesis ...

  6. synthesis, characterization studies of 2-[(2-hydroxyph carboxamide ...

    African Journals Online (AJOL)

    User

    2016-06-01

    Jun 1, 2016 ... reports synthesis of hydroxyphenyl)methylidene}hydrazine derived from salicyladehyde and semicarbazid its Copper (II) and Zinc (II) complexes. MATERIALS AND METHODS. Materials and Collection of Sample. All reagents used are of analytical grade and used without purification. Melting point/decomp.

  7. Feasibility and accuracy of dual-layer spectral detector computed tomography for quantification of gadolinium: a phantom study

    Energy Technology Data Exchange (ETDEWEB)

    Hamersvelt, Robbert W. van; Willemink, Martin J.; Jong, Pim A. de; Schilham, Arnold M.R.; Leiner, Tim [University Medical Center Utrecht, Department of Radiology, P.O. Box 85500, Utrecht (Netherlands); Milles, Julien [CT Clinical Science, Philips HealthCare, Best (Netherlands); Vlassenbroek, Alain [CT Clinical Science, Philips HealthCare, Brussels (Belgium)

    2017-09-15

    The aim of this study was to evaluate the feasibility and accuracy of dual-layer spectral detector CT (SDCT) for the quantification of clinically encountered gadolinium concentrations. The cardiac chamber of an anthropomorphic thoracic phantom was equipped with 14 tubular inserts containing different gadolinium concentrations, ranging from 0 to 26.3 mg/mL (0.0, 0.1, 0.2, 0.4, 0.5, 1.0, 2.0, 3.0, 4.0, 5.1, 10.6, 15.7, 20.7 and 26.3 mg/mL). Images were acquired using a novel 64-detector row SDCT system at 120 and 140 kVp. Acquisitions were repeated five times to assess reproducibility. Regions of interest (ROIs) were drawn on three slices per insert. A spectral plot was extracted for every ROI and mean attenuation profiles were fitted to known attenuation profiles of water and pure gadolinium using in-house-developed software to calculate gadolinium concentrations. At both 120 and 140 kVp, excellent correlations between scan repetitions and true and measured gadolinium concentrations were found (R > 0.99, P < 0.001; ICCs > 0.99, CI 0.99-1.00). Relative mean measurement errors stayed below 10% down to 2.0 mg/mL true gadolinium concentration at 120 kVp and below 5% down to 1.0 mg/mL true gadolinium concentration at 140 kVp. SDCT allows for accurate quantification of gadolinium at both 120 and 140 kVp. Lowest measurement errors were found for 140 kVp acquisitions. (orig.)

  8. Synthesis studies as the basis for economic evaluations in health: the need for their quality appraisal

    OpenAIRE

    Bolaños-Díaz, Rafael; Unidad de Análisis y Generación de Evidencias en Salud Pública, Centro Nacional de Salud Pública, Instituto Nacional de Salud. Lima, Perú. Escuela de Postgrado, Universidad Nacional Mayor de San Marcos. Lima, Perú. Médico especialista en Medicina Interna, Magíster en Epidemiología Clínica, Magíster en Economía de la Salud.; Mezones-Holguín, Edward; Unidad de Análisis y Generación de Evidencias en Salud Pública, Centro Nacional de Salud Pública, Instituto Nacional de Salud. Lima, Perú. Escuela de Medicina, Universidad Peruana de Ciencias Aplicadas. Lima, Perú. Médico Cirujano, Magíster en Epidemiología Clínica.; Gutiérrez-Aguado, Alfonso; Unidad de Análisis y Generación de Evidencias en Salud Pública, Centro Nacional de Salud Pública, Instituto Nacional de Salud. Lima, Perú. Facultad de Ciencias Médicas, Universidad César Vallejo, Lima - Norte. Lima, Perú. Médico Especialista en Gestión en Salud.; Málaga, Germán; Centro De Excelencia CRONICAS, Universidad Peruana Cayetano Heredia. Lima, Perú. Médico especialista en Medicina Interna, Doctor en Medicina.

    2011-01-01

    Synthesis studies (SS): systematic review and meta-analysis are the basis for developing Health Economic Evaluations (HEE). SS allow us to obtain parameters for estimating probabilities and effectiveness from the combination of the results of primary studies, and, as they include in their methodology the selection, evaluation, systematization and synthesis processes, they are considered the first level of hierarchy in scientific evidence. Nevertheless, they can be prone to bias and methodolog...

  9. Synthesis and antibacterial studies of some novel isoxazoline derivatives

    Directory of Open Access Journals (Sweden)

    TEJASKUMAR SHAH

    2007-05-01

    Full Text Available A series of 3-[3-(2,4-dichloro-5-fluorophenyl-5-(2-furyl-4,5-dihydro-1H-pyrazol-1-yl]-5-(substituted phenyl/2-thienylisoxazolines (4a-j were prepared. The structures of the isoxazoline derivatives were confirmed on the bases of elemental analysis and spectral data. The compounds were screened for their in vitro antibacterial activity using gram-positive bacteria and gram-negative bacteria.

  10. Synthesis, antimicrobial evaluation and QSAR studies of propionic acid derivatives

    OpenAIRE

    Kumar, Sanjiv; Kumar, Pradeep; Marwaha, Rakesh Kumar; Narasimhan, Balasubramanian

    2012-01-01

    A series of Schiff bases (1–17) and esters (18–24) of propionic acid was synthesized in appreciable yield and characterized by physicochemical as well as spectral means. The synthesized compounds were evaluated in vitro for their antimicrobial activity against Gram-positive bacteria Staphylococcus aureus, Bacillus subtilis, Gram negative bacterium Escherichia coli and fungal strains Candida albicans and Aspergillus niger by tube dilution method. Results of antimicrobial screening indicated th...

  11. Synthesis and Analgesic Studies of Some New 2-pyrazolines

    Directory of Open Access Journals (Sweden)

    S. Sridhar

    2012-01-01

    Full Text Available A new series of 2-pyrazolines (4a-j were synthesized by reacting chalcones (3a-j with phenyl hydrazine in the presence of pyridine and ethanol. All these compounds were characterized by means of their IR, 1H-NMR spectral data and microanalyses. When these compounds were evaluated for analgesic activity, some of them were found to possess significant activity, when compared to standard drugs.

  12. Role of Spectral Studies in Detection of Antibacterial Phytoelements and Phytchemicals of Moringa Oleifera

    NARCIS (Netherlands)

    Mehta, S.; Rai, P.K.; Rai, A.K.; Bicanic, D.D.; Watal, G.

    2011-01-01

    This paper reports, the Laser Induced Breakdown Spectroscopy (LIBS) studies and structure elucidation of compounds isolated from the fruit extract of Moringa oleifera and also deals with their possible effects on some bacterial strains viz. Staphylococcus aureus, Klebsiella pneumonia, Escherichia

  13. Spectral multitude and spectral dynamics reflect changing conjugation length in single molecules of oligophenylenevinylenes

    KAUST Repository

    Kobayashi, Hiroyuki

    2012-01-01

    Single-molecule study of phenylenevinylene oligomers revealed distinct spectral forms due to different conjugation lengths which are determined by torsional defects. Large spectral jumps between different spectral forms were ascribed to torsional flips of a single phenylene ring. These spectral changes reflect the dynamic nature of electron delocalization in oligophenylenevinylenes and enable estimation of the phenylene torsional barriers. © 2012 The Owner Societies.

  14. Investigations on critical parameters, growth, structural and spectral studies of beta-alaninium picrate (BAP) single crystals

    International Nuclear Information System (INIS)

    Shanthi, D; Selvarajan, P; Perumal, S

    2014-01-01

    Beta-alaninium picrate (BAP) salt has been synthesized and the solubility of the synthesized sample in double distilled water was determined at different temperatures. Solution stability was studied by observing the metastable zone width by employing the polythermal method. Induction period values for different supersaturation ratios at room temperature were determined based on the isothermal method. The nucleation parameters such as critical radius, critical free energy change, interfacial tension, and nucleation rate have been estimated for BAP salt on the basis of the classical nucleation theory. The lattice parameters of the grown BAP crystal were determined using the x-ray diffraction (XRD) technique. The reflection planes of the sample were confirmed by the powder XRD study and diffraction peaks were indexed. Fourier transform infrared spectroscopy and Fourier transform–Raman studies were used to confirm the presence of various functional groups in the BAP crystal. The nonlinear optical property of the grown crystal was studied using the Kurtz–Perry powder technique. UV–visible spectral studies were carried out to understand optical transparency and the type of band gap of the grown BAP crystal. (paper)

  15. Spectral studies on CuO in sodium–calcium borophosphate glasses

    Indian Academy of Sciences (India)

    Abstract. Transparent borophosphate glasses doped with CuO were prepared by melt quenching technique. X-ray diffraction (XRD), optical and luminescence properties of sodium–calcium borophosphate glasses doped with. CuO have been studied. The XRD results showed the amorphous nature of the sample.

  16. Equilibrium and spectral studies on ligational behaviour of N,N ...

    Indian Academy of Sciences (India)

    Unknown

    constant, potentiometric titrations were carried out with DFH in aqueous medium at various constant temperatures i.e. 303, 313, 323 and 333 K (table 1). Comparison of data reveals that an increase of temperature results in the decrease of pKa values, due to the endothermic nature of the dissociation process. To study the ...

  17. Progressive loss of cones in achromatopsia: An imaging study using spectral-domain optical coherence tomography

    NARCIS (Netherlands)

    A.A.H.J. Thiadens (Alberta); V. Somervuo (Ville); L.I. van den Born (Ingeborgh); S. Roosing (Susanne); M.J. van Schooneveld (Mary); R.W.A.M. Kuijpers (Robert); N. van Moll-Ramirez (Norka); F.P.M. Cremers (Frans); C. Hoyng (Carel); C.C.W. Klaver (Caroline)

    2010-01-01

    textabstractPURPOSE. Achromatopsia (ACHM) is a congenital autosomal recessive cone disorder with a presumed stationary nature and only a few causative genes. Animal studies suggest that ACHM may be a good candidate for corrective gene therapy. Future implementation of this therapy in humans requires

  18. Progressive loss of cones in achromatopsia: an imaging study using spectral-domain optical coherence tomography.

    NARCIS (Netherlands)

    Thiadens, A.A.H.J.; Somervuo, V.; Born, L.I. van den; Roosing, S.; Schooneveld, M.J. van; Kuijpers, R.W.; Moll-Ramirez, N. van; Cremers, F.P.M.; Hoyng, C.B.; Klaver, C.C.

    2010-01-01

    PURPOSE: Achromatopsia (ACHM) is a congenital autosomal recessive cone disorder with a presumed stationary nature and only a few causative genes. Animal studies suggest that ACHM may be a good candidate for corrective gene therapy. Future implementation of this therapy in humans requires the

  19. Retinal nerve fibre layer thickness measured by Spectralis spectral-domain optical coherence tomography: The Beijing Eye Study.

    Science.gov (United States)

    Zhao, Liang; Wang, Yaxing; Chen, Chang X; Xu, Liang; Jonas, Jost B

    2014-02-01

    The aim of this study was to measure retinal nerve fibre layer thickness (RNFLT) and its associated factors in a population-based setting. The population-based Beijing Eye Study 2011 included 3468 individuals. The study participants underwent spectral-domain optical coherence tomography (Spectralis(®) ; Spectralis OCT)-assisted measurement of the RNFLT. For this study, exclusion criteria were glaucoma, pseudoexfoliation, best-corrected visual acuity of >0.5 logMAR, macular diseases, previous ocular surgery and known neurological diseases. The only inclusion criterion was an age of 50+ years. The inclusion criteria were fulfilled by 2548 participants. Mean RNFLT was 102 ± 11 μm. RNFLT was significantly (p optic disc size (p optic disc, larger rim, hyperopic refractive error, larger parapapillary beta zone and thicker subfoveal choroidal thickness. Independent of age and refractive error, the RNFL was thickest temporal inferiorly and thinnest temporally and nasally. © 2013 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

  20. Guest:host interactions of lidocaine and prilocaine with natural cyclodextrins: Spectral and molecular modeling studies

    Science.gov (United States)

    Rajendiran, N.; Mohandoss, T.; Saravanan, J.

    2014-11-01

    Inclusion complex formation of two local anesthetics drugs (lidocaine (LC) and prilocaine (PC)) with α- and β-cyclodextrins (CDs) in aqueous solution were studied by absorption, fluorescence, time-resolved fluorescence and molecular modeling methods. The formation of inclusion complexes was confirmed by 1H NMR, FTIR, differential scanning calorimetry, SEM, TEM and X-ray diffractometry. Both drugs formed 1:1 inclusion complex and exhibit biexponential decay in water whereas triexponential decay in the CD solution. Nanosized self-aggregated particles of drug: CD complexes were found by TEM. Both experimental and theoretical studies revealed that the phenyl ring with the amide group of the drug is encapsulated in the hydrophobic CD nanocavity. Investigations of energetic and thermodynamic properties confirmed the stability of the inclusion complexes. van der Waals interactions are mainly responsible for enthalpy driven complex formation of LC and PC with CDs.

  1. Accurate study on the properties of spectral lines for Br-like W39+

    Science.gov (United States)

    Guo, X. L.; Li, M. C.; Si, R.; He, X. D.; Wang, K.; Dai, Z. T.; Liu, Y. M.; Zhang, H. J.; Chen, C. Y.

    2018-01-01

    As a primary candidate in tokamak plasmas, the spectroscopic parameters of tungsten ions have been studied extensively over the past decade. In this paper, we perform calculations of excitation energies, lifetimes, wavelengths and transition rates for all levels of the 4{s}24{p}5, 4{s}24{p}44d, and 4s4{p}6 configurations of {{{W}}}39+ by using the multiconfiguration Dirac–Hartree–Fock (MCDHF) method, and also the relativistic many-body perturbation theory (RMBPT) method. Detailed convergence studies on excitation energy from electron-correlation effects and relativistic effects are presented. It is necessary to include the core–valence correlation from deep lying subshells, e.g. 3d and 3p, to produce reliable atomic parameters. Results are compared with available theoretical and experimental work, and the accuracy of the results is confirmed.

  2. 1H NMR studies of human lysozyme: Spectral assignment and comparison with hen lysozyme

    International Nuclear Information System (INIS)

    Redfield, C.; Dobson, C.M.

    1990-01-01

    Complete main-chain (NH and αCH) 1 H NMR assignments are reported for the 130 residues of human lysozyme, along with extensive assignments for side-chain protons. Analysis of 2-D NOESY experiments shows that the regions of secondary structure for human lysozyme in solution are essentially identical with those found previously in a similar study of hen lysozyme and are in close accord with the structure of the protein reported previously from x-ray diffraction studies in the crystalline state. Comparison of the chemical shifts, spin-spin coupling constants, and hydrogen exchange behavior are also consistent with closely similar structures for the two proteins in solution. In a number of cases specific differences in the NMR parameters between hen and human lysozymes can be correlated with specific differences observed in the crystal structures

  3. Spectral study of the luminescence produced by the excitation of noble gases by alpha-rays

    International Nuclear Information System (INIS)

    Koch, L.

    1960-01-01

    Luminescence spectra of the noble gases He, A, Kr and Xe are studied under excitation by α rays. It is shown that the energy is transferred from excited levels of these gases to Hg and N 2 impurities for impurity concentrations respectively less than 10 6 and 10 4 . These results confirm previous measurements concerning the period of luminescence and its variations versus nitrogen concentration in noble gases. (author) [fr

  4. Effect of Structure on Charge Distribution in the Isatin Anions in Aprotic Environment: Spectral Study

    Directory of Open Access Journals (Sweden)

    Pavol Tisovský

    2017-11-01

    Full Text Available Five isatin anions were prepared by deprotonation of initial isatins in aprotic solvents using basic fluoride and acetate anions (F− and CH3COO−. The F− basicity is sufficient to deprotonate isatin NH hydrogen from all the studied compounds. This process is reversible. In the presence of proton donor solvents, the anions form the corresponding isatins. The isatin hydrogen acidity depends on the overall structure of the isatin derivatives. The anions were characterized by ultraviolet–visible (UV–Vis, Fourier transform infrared (FTIR and nuclear magnetic resonance (NMR spectroscopy. Interestingly, the anions form aggregates at concentrations above 10−3 mol·dm−3. Further, the effect of cations on the UV–Vis spectra of the studied anions was studied. Charge transfer and its distribution in the anion depends on the radius and the cation electron configuration. The alkali metal cations, tetrabutylammonium (TBA+, Mg2+ and Ag+, interact with the C-2 carbonyl oxygen of the isatin anion. The interaction has a coulombic character. On the other hand, Cd2+, Zn2+, Hg2+, Co2+, and Cu+ cations form a coordinate bond with the isatin nitrogen.

  5. Spectral transmittance of UV-blocking soft contact lenses: a comparative study.

    Science.gov (United States)

    Rahmani, Saeed; Mohammadi Nia, Mohadeseh; Akbarzadeh Baghban, Alireza; Nazari, Mohammad Reza; Ghassemi-Broumand, Mohammad

    2014-12-01

    Three major parts of sunlight consist of visible, ultraviolet and infrared radiation. Exposure to ultraviolet radiation (UVR) can result in a spectrum of skin and ocular diseases. UV-blocking contact lenses help provide protection against harmful UV radiation. We studied the ultraviolet and visible light rays transmission in some soft UV-blocking contact lenses. Four available tinted soft lenses (Acuvue Moist, Zeiss CONTACT Day 30 Air spheric, Pretty Eyes and Sauflon 56 UV) have been evaluated for UV and visible transmission. One-way ANOVA testing was performed to establish is there a statistically significant difference between the UV regions and visible spectra means for the contact lenses (α=0.05). Pretty Eyes, Zeiss CONTACT, Acuvue Moist and Sauflon 56 UV showed UV-B transmittance value of 0.65%, 10.69%, 1.22%, and 5.78%, respectively. Pretty Eyes and Acuvue Moist had UV-A transmittance values of 32% and 34%, Sauflon 56 UV and Zeiss CONTACT had transmittance values of 48% and 43%, respectively. All of the studied lenses transmitted at least 94.6% on the visible spectrum. The results of the one-way ANOVA statistical analysis show that a statistically significant difference exists within the group of contact lenses tested for the visible (pUV-B (pUV-A (pUV-blocking property and also visible transmission between other tested contact lenses in this study. Copyright © 2014 British Contact Lens Association. Published by Elsevier Ltd. All rights reserved.

  6. Spectral Decomposition Algorithm (SDA)

    Data.gov (United States)

    National Aeronautics and Space Administration — Spectral Decomposition Algorithm (SDA) is an unsupervised feature extraction technique similar to PCA that was developed to better distinguish spectral features in...

  7. Synthesis and Structural Studies of Nanocrystalline Cd 0.3 Zn 0.7 Fe ...

    African Journals Online (AJOL)

    Synthesis and Structural Studies of Nanocrystalline Cd 0.3 Zn 0.7 Fe 2 O 4. ... South African Journal of Chemistry ... The synthesis of Cd0.3Zn0.7Fe2O4 nanoparticles has been achieved by a simple thermal decomposition method from the inorganic precursor, Cdd0.3Zn0.7Fe2(cin)3(N2H4)2, which was obtained by a novel ...

  8. Autoradiographic study of gamma-ray induced unscheduled DNA synthesis in bean root meristem cells

    International Nuclear Information System (INIS)

    Liu Zhenshen; Qiu Quanfa; Chen Dongli

    1989-01-01

    The gamma-ray induced unscheduled DNA synthesis in root meristem cells of Vica faba was studied autoradiographically by calculating the number of cells with different 3H-thymidine labelling degree. It was found that the level of unscheduled synthesis in cells with intermediate dose (500 R) irradiation was higher than that in cells with lower dose (250 R) irradiation; however, higher dose (1000 R) irradiation would inhibit the reparative replication

  9. Photo acoustic study of plants exposed to varying light intensity growth conditions: Spectral and morphological changes

    Science.gov (United States)

    Mesquita, R. C.; Barja, P. R.; da Silva, E. C.; Mansanares, A. M.

    2005-06-01

    In this paper we describe results of photo acoustic (PA) measurements carried out on various plants exposed to varying light intensity conditions. Depending on the species and light intensity conditions, the PA absorption spectra show differences in peaks associated with pigments and the cuticle. These differences are related to the spatial distribution of the pigments that differs from plant to plant. We have also performed systematic study of oxygen evolution at different wavelengths. The obtained oxygen spectra are equivalent to the action spectra usually acquired by determining the CO2 uptake and energy storage. The intensities of oxygen spectra exhibit differences depending on distinct morphology of plant.

  10. AUTOMATED CLASSIFICATION OF LAND COVER USING LANDSAT 8 OLI SURFACE REFLECTANCE PRODUCT AND SPECTRAL PATTERN ANALYSIS CONCEPT - CASE STUDY IN HANOI, VIETNAM

    Directory of Open Access Journals (Sweden)

    D. Nguyen Dinh

    2016-06-01

    Full Text Available Recently USGS released provisional Landsat 8 Surface Reflectance product, which allows conducting land cover mapping over large composed of number of image scenes without necessity of atmospheric correction. In this study, the authors present a new concept for automated classification of land cover. This concept is based on spectral patterns analysis of reflected bands and can be automated using predefined classification rule set constituted of spectral pattern shape, total reflected radiance index (TRRI and ratios of spectral bands. Given a pixel vector B6 = {b1,b2,b3,b4,b5,b6} where b1, b2,...,b6 denote bands 2, 3, ...,7 of OLI sensor respectively. By using the pixel vector B6 we can construct spectral reflectance curve. Each spectral curve is featured by a shape, which can be described in simplified form of an analogue pattern, which is consisted of 15 digits of 0, 1 and 2 showing mutual relative position of spectral vertices. Value of comparison between band i and j is 2 if bj > bi, 1 if bj = bi and 0 if bj i. Simplified spectral pattern is defined by 15 digits as m1,2m1,3m1,4m1,5m1,6m2,3m2,4m2,5m2,6m3,4m3,5m3,6m4,5m4,6m5,6 where mi,j is result of comparison of reflectance between bi and bj and has values of 0, 1 and 2. After construction of SSP for each pixel in the input image, the original image will be decomposed to component images, which contain pixels with the same SRCS pattern. The decomposition can be written analytically by equation A = Σnk=1Ck where A stands for original image with 6 spectral bands, n is number of component images decomposed from A and Ck is component image. For this study, we use Landsat 8 OLI reflectance image LC81270452013352LGN00 and LC81270452015182LGN00. For the decomposition, we use only six reflective bands. Each land cover class is defined by SSP code, threshold values for TRRI and band ratios. Automated classification of land cover was realized with 8 classes: forest, shrub, grass, water, wetland

  11. Studying Protein Synthesis-Dependent Synaptic Changes in Tuberous Sclerosis

    Science.gov (United States)

    2013-04-01

    and infantile spasm in TSC is treatable with Vigabatrin, a GABA transaminase inhibitor. This indicates that abnormal protein synthesis may skew the...microscopic duplication of 22q13 including the Shank3 gene manifested with infantile hypotonia, developmental delay and growth deficiency (6). Shank1...deviation toward hyperexcitability was not corrected at least 30 minute after rapamycin treatment (100 µM). This may be because the effect of

  12. Spectral investigation and theoretical study of zwitterionic and neutral forms of quinolinic acid

    Science.gov (United States)

    Karabacak, M.; Sinha, L.; Prasad, O.; Bilgili, S.; Sachan, Alok K.; Asiri, A. M.; Atac, A.

    2015-09-01

    In this study, molecular structure and vibrational analysis of quinolinic acid (2,3-pyridinedicarboxylic acid), in zwitterionic and neutral forms, were presented using FT-IR, FT-Raman, NMR, UV experimental techniques and quantum chemical calculations. FT-IR and FT-Raman spectra of 2,3-pyridinedicarboxylic acid (2,3-PDCA) in the solid phase were recorded in the region 4000-400 cm-1 and 3500-0 cm-1, respectively. The geometrical parameters and energies were obtained for zwitter and neutral forms by using density functional theory (DFT) at B3LYP/6-311++G(d,p) level of theory. 3D potential energy scan was performed by varying the selected dihedral angles using M06-2X and B3LYP functionals at 6-31G(d) level of theory and thus the most stable conformer of the title compound was determined. The most stable conformer was further optimized at higher level and vibrational wavenumbers were calculated. Theoretical vibrational assignment of 2,3-PDCA, using percentage potential energy distribution (PED) was done with MOLVIB program. 13C and 1H NMR spectra were recorded in DMSO. Chemical shifts were calculated at the same level of theory. The UV absorption spectra of the studied compound in ethanol and water were recorded in the range of 200-400 nm. The optimized geometric parameters were compared with experimental data.

  13. Study of spectral response of a neutron filter. Design of a method to adjust spectra

    International Nuclear Information System (INIS)

    Colomb-Dolci, F.

    1999-02-01

    The first part of this thesis describes an experimental method which intends to determine a neutron spectrum in the epithermal range [1 eV -10 keV]. Based on measurements of reaction rates provided by activation foils, it gives flux level in each energy range corresponding to each probe. This method can be used in any reactor location or in a neutron beam. It can determine scepter on eight energy groups, five groups in the epithermal range. The second part of this thesis presents a study of an epithermal neutron beam design, in the frame of Neutron Capture Therapy. A beam tube was specially built to test filters made up of different materials. Its geometry was designed to favour epithermal neutron crossing and to cut thermal and fast neutrons. A code scheme was validated to simulate the device response with a Monte Carlo code. Measurements were made at ISIS reactor and experimental spectra were compared to calculated ones. This validated code scheme was used to simulate different materials usable as shields in the tube. A study of these shields is presented at the end of this thesis. (author)

  14. Spectral sensitivity study of dose distributions for a commercial convolution/superposition algorithm.

    Science.gov (United States)

    Torres, P S; Charland, P M; Paniak, L D

    2004-09-21

    The focus of this study is to validate whether the sensitivity of dose distribution following the interface of different media can be used to distinguish between small variations of photon energy spectra in the context of the convolution/superposition algorithm in the polyenergetic implementation (Philips Pinnacle3, ADAC Laboratories, Milpitas, CA). Calculations were performed in homogeneous water and heterogeneous lung/water phantoms. Spectra were generated, in which the weights of the low-, medium- and high-energy components were adjusted sequentially. The heterogeneity correction factor CFlung, the D20/D10 ratio for homogeneous water and logarithmic derivative in buildup region LDbuildup were assessed for their relative ability to discriminate between different spectra for various field sizes. In accordance with another study (Charland et al 2004), the superior discrimination ability of the CFlung and LDbuildup tests over the D20/D10 test was observed for changes in an energy component as small as 0.3% of the total weight in the energy spectrum. Furthermore, new tests utilizing transverse dose profile data for discriminating between spectra, Fringe Index (FI) and Penumbra Index (PI), were introduced. The discrimination ability of the PI and FI tests was superior when a medium containing interface effects was exploited to obtain the transverse profile data (water/lung phantom for PIhung and FIlung tests) as opposed to when a homogeneous water medium was used (PIwater and FIwater tests).

  15. Stopped-flow studies of spectral changes in bilirubin-human serum albumin following an alkaline pH jump and following binding of bilirubin

    DEFF Research Database (Denmark)

    Honoré, B

    1987-01-01

    A stopped-flow technique was used to study the spectral changes occurring in bilirubin-albumin following a pH jump as well as following binding of bilirubin at 25 degrees C. The changes were studied in two wavelength ranges, 280-310 nm (tyrosine residues) and 400-510 nm (bound bilirubin). The cha...

  16. Spectral methods for study of the G-protein-coupled receptor rhodopsin: I. Vibrational and electronic spectroscopy

    Science.gov (United States)

    Struts, A. V.; Barmasov, A. V.; Brown, M. F.

    2015-05-01

    Here we review the application of modern spectral methods for the study of G-protein-coupled receptors (GPCRs) using rhodopsin as a prototype. Because X-ray analysis gives us immobile snapshots of protein conformations, it is imperative to apply spectroscopic methods for elucidating their function: vibrational (Raman, FTIR), electronic (UV-visible absorption, fluorescence) spectroscopies, and magnetic resonance (electron paramagnetic resonance, EPR), and nuclear magnetic resonance (NMR). In the first of the two companion articles, we discuss the application of optical spectroscopy for studying rhodopsin in a membrane environment. Information is obtained regarding the time-ordered sequence of events in rhodopsin activation. Isomerization of the chromophore and deprotonation of the retinal Schiff base leads to a structural change of the protein involving the motion of helices H5 and H6 in a pH-dependent process. Information is obtained that is unavailable from X-ray crystallography, which can be combined with spectroscopic studies to achieve a more complete understanding of GPCR function.

  17. Spectral studies on sulfur poisoning of Pd/Mg{sub 6}Ni by NEXAFS and XPS

    Energy Technology Data Exchange (ETDEWEB)

    Yagi, S., E-mail: s-yagi@nucl.nagoya-u.ac.jp [Department of Quantum Engineering, School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Synchrotron Radiation Center, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-0046 (Japan); Nambu, M.; Tsukada, C.; Ogawa, S. [Department of Quantum Engineering, School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Kutluk, G.; Namatame, H.; Taniguchi, M. [Synchrotron Radiation Center, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-0046 (Japan)

    2013-02-15

    We have studied on the hydrogen storage materials based on Mg–Ni alloy and fabricated the sample constructed with the Pd thin layer (TL) on Mg{sub 6}Ni alloy substrate. The adsorption behavior of the dimethyl disulfide (DMS) molecules on the sample has been measured to reveal the sulfur poisoning of the Pd TL/Mg{sub 6}Ni by means of XPS and Sulfur K-edge NEXAFS techniques. The chemisorbed DMS, methanethiolate (MT) and atomic S have been observed on the surface. Especially, it is clear that some atomic S has been oxidized by air and detected the adsorbate of the SO{sub 3}{sup 2−} and SO{sub 4}{sup 2−} species. During exposure to the atmosphere, most of the adsorbed DMS and MT adsorbates desorb from the Pd TL surface. We thus conclude the Pd TL might be able to prevent the hydrogen storage materials from the sulfur poisoning.

  18. Spectral studies on sulfur poisoning of Pd/Mg6Ni by NEXAFS and XPS

    International Nuclear Information System (INIS)

    Yagi, S.; Nambu, M.; Tsukada, C.; Ogawa, S.; Kutluk, G.; Namatame, H.; Taniguchi, M.

    2013-01-01

    We have studied on the hydrogen storage materials based on Mg–Ni alloy and fabricated the sample constructed with the Pd thin layer (TL) on Mg 6 Ni alloy substrate. The adsorption behavior of the dimethyl disulfide (DMS) molecules on the sample has been measured to reveal the sulfur poisoning of the Pd TL/Mg 6 Ni by means of XPS and Sulfur K-edge NEXAFS techniques. The chemisorbed DMS, methanethiolate (MT) and atomic S have been observed on the surface. Especially, it is clear that some atomic S has been oxidized by air and detected the adsorbate of the SO 3 2− and SO 4 2− species. During exposure to the atmosphere, most of the adsorbed DMS and MT adsorbates desorb from the Pd TL surface. We thus conclude the Pd TL might be able to prevent the hydrogen storage materials from the sulfur poisoning.

  19. Modulation of synthetic parameters of cobalt nanoparticles: TEM, EDS, spectral and thermal studies

    Science.gov (United States)

    Chandra, Sulekh; Kumar, Avdhesh

    2012-12-01

    The study focuses on the modulation of synthetic parameters in order to influence the size, structure, composition and arrangement of nanoparticles of cobalt. Cobalt nanoparticles were synthesized by ethanolic solution of benzildiethylenetriamine in cobalt nitrate solution at 60 °C with stirring and refluxing leads to nanoparticles of cobalt. The morphology and structure of the synthesized nanoparticles of cobalt were characterized by Transmission Electron Microscopy (TEM), Powder X-ray Diffraction (XRD), Thermal Gravimetric Analysis (TGA), QELS Data and Infrared Spectroscopy (IR). Crystalline size was 20 nm determined from the sharp peak at 2θ = 25 °C from the powder XRD. TEM images of cobalt nanoparticles without reducing agent having the diameter 20 nm with spherical shape and black color.

  20. The default mode network and EEG regional spectral power: a simultaneous fMRI-EEG study.

    Directory of Open Access Journals (Sweden)

    Irene Neuner

    Full Text Available Electroencephalography (EEG frequencies have been linked to specific functions as an "electrophysiological signature" of a function. A combination of oscillatory rhythms has also been described for specific functions, with or without predominance of one specific frequency-band. In a simultaneous fMRI-EEG study at 3 T we studied the relationship between the default mode network (DMN and the power of EEG frequency bands. As a methodological approach, we applied Multivariate Exploratory Linear Optimized Decomposition into Independent Components (MELODIC and dual regression analysis for fMRI resting state data. EEG power for the alpha, beta, delta and theta-bands were extracted from the structures forming the DMN in a region-of-interest approach by applying Low Resolution Electromagnetic Tomography (LORETA. A strong link between the spontaneous BOLD response of the left parahippocampal gyrus and the delta-band extracted from the anterior cingulate cortex was found. A positive correlation between the beta-1 frequency power extracted from the posterior cingulate cortex (PCC and the spontaneous BOLD response of the right supplementary motor cortex was also established. The beta-2 frequency power extracted from the PCC and the precuneus showed a positive correlation with the BOLD response of the right frontal cortex. Our results support the notion of beta-band activity governing the "status quo" in cognitive and motor setup. The highly significant correlation found between the delta power within the DMN and the parahippocampal gyrus is in line with the association of delta frequencies with memory processes. We assumed "ongoing activity" during "resting state" in bringing events from the past to the mind, in which the parahippocampal gyrus is a relevant structure. Our data demonstrate that spontaneous BOLD fluctuations within the DMN are associated with different EEG-bands and strengthen the conclusion that this network is characterized by a specific

  1. Fat saturation in dynamic breast MRI at 3 Tesla: is the Dixon technique superior to spectral fat saturation? A visual grading characteristics study

    Energy Technology Data Exchange (ETDEWEB)

    Clauser, P. [University of Udine, Azienda Ospedaliero-Universitaria ' ' S.Maria della Misericordia' ' , Institute of Diagnostic Radiology, Udine (Italy); Medical University of Vienna, Department of Biomedical Imaging and Image-guided interventions, Division of Molecular and Gender Imaging, Vienna (Austria); Pinker, K.; Helbich, T.H.; Kapetas, P.; Bernathova, M.; Baltzer, P.A.T. [Medical University of Vienna, Department of Biomedical Imaging and Image-guided interventions, Division of Molecular and Gender Imaging, Vienna (Austria)

    2014-09-15

    To intra-individually compare the diagnostic image quality of Dixon and spectral fat suppression at 3 T. Fifty consecutive patients (mean age 55.1 years) undergoing 3 T breast MRI were recruited for this prospective study. The image protocol included pre-contrast and delayed post-contrast spectral and Dixon fat-suppressed T1w series. Two independent blinded readers compared spectral and Dixon fat-suppressed series by evaluating six ordinal (1 worst to 5 best) image quality criteria (image quality, delineation of anatomical structures, fat suppression in the breast and axilla, lesion delineation and internal enhancement). Breast density and size were assessed. Data analysis included Spearman's rank correlation coefficient and visual grading characteristics (VGC) analysis. Four examinations were excluded; 48 examinations in 46 patients were evaluated. In VGC analysis, the Dixon technique was superior regarding image quality criteria analysed (P < 0.01). Smaller breast size and lower breast density were significantly (P < 0.01) correlated with impaired spectral fat suppression quality. No such correlation was identified for the Dixon technique, which showed reconstruction-based water-fat mixups leading to insufficient image quality in 20.8 %. The Dixon technique outperformed spectral fat suppression in all evaluated criteria (P < 0.01). Non-diagnostic examinations can be avoided by fat and water image reconstruction. The superior image quality of the Dixon technique can improve breast MRI interpretation. (orig.)

  2. Assessment of the LED phototherapy on femoral bone defects of ovariectomized rats: a Raman spectral study.

    Science.gov (United States)

    Aciole, Jouber Mateus dos Santos; de Castro, Isabele Cardoso Vieira; Soares, Luiz Guilherme Pinheiro; Barbosa, Artur Felipe Santos; Aciole, Gilberth Tadeu dos Santos; Silveira, Landulfo; Pinheiro, Antonio L B

    2014-05-01

    Osteoporosis is a disease characterized by the reduction of bone mineral density. LED wavelengths seem to have similar photo-stimulating effects to laser light. The aim of this study was to assess the Raman shifts: ∼ 960 (phosphate hydroxyapatite), ∼ 1,070 (carbonate hydroxyapatite), and ∼ 1,454 cm (-1) (lipids and proteins) on bone defects of ovariectomized rats treated or not with LED phototherapy (LED-PT). Thirty female rats were divided into four groups (Basal, OVX, OVX+Clot, and OVX+Clot+LED), then subdivided into two subgroups (15 and 30 days after surgery). Osteoporosis induction by ovariectomy (OVX) was performed in all groups, except for the normal basal group. Following development of osteoporosis, one surgical bone defect (5 mm(2)) was created on the femur of each animal. Defects were irradiated with LED light (λ = 850 ± 10 nm, P = 150 mW, CW, Ф = 0.5 cm(2), 20.4 J/cm(2) per session, t = 128 s, 163.2 J/cm(2) per treatment) at 48 h interval during 2 weeks. Raman measurements were taken at the surface of the defects 30 days after surgery. Significant difference between groups Basal, OVX+Clot, and OVX+Clot+LED for the peaks at ∼ 960 (p ≤ 0.001; 15 and 30 days), ∼ 1,070 (p ≤ 0.001; 15 and 30 days), and ∼ 1,450 cm(-1) (p = 0.002; 15 days; p = 0.004; 30 days) were detected. In addition, statistical differences were obtained between groups OVX, OVX+Clot, and OVX+Clot+LED for these same peaks at all time points (p ≤ 0.001). At 15 and 30 days, there were statistical differences between groups OVX+Clot and OVX+Clot+LED for the peaks at ∼ 960 (p ≤ 0.001), ∼ 1,070 (p ≤ 0.001; p = 0.003), and ∼ 1,450 cm(-1) (p ≤ 0.001; p = 0.002). The results of this study are indicative that infrared LED-PT improved the deposition of HA on bone defects of ovariectomized rats.

  3. Spectral Imaging by Upconversion

    DEFF Research Database (Denmark)

    Dam, Jeppe Seidelin; Pedersen, Christian; Tidemand-Lichtenberg, Peter

    2011-01-01

    We present a method to obtain spectrally resolved images using upconversion. By this method an image is spectrally shifted from one spectral region to another wavelength. Since the process is spectrally sensitive it allows for a tailored spectral response. We believe this will allow standard sili...... silicon based cameras designed for visible/near infrared radiation to be used for spectral images in the mid infrared. This can lead to much lower costs for such imaging devices, and a better performance.......We present a method to obtain spectrally resolved images using upconversion. By this method an image is spectrally shifted from one spectral region to another wavelength. Since the process is spectrally sensitive it allows for a tailored spectral response. We believe this will allow standard...

  4. Study of Spectral Reflectance Time Series and Vegetative Indices of Sugar Beet Fields Using MODIS Data

    Directory of Open Access Journals (Sweden)

    M. Bazrafshan

    2015-01-01

    Full Text Available Remote sensing technology is widely used in environmental and agricultural research, and nowadays it has become a valuable and reliable source of information for the management of crop production and assessment of global supply and demands for these products. The objective of this study was to investigate the feasibility of using MODIS data and vegetation indices based on sugar beet growth monitoring. For this purpose, MODIS 8-day red and near infrared surface reflectance data at 250 m spatial resolution (MOD09Q1 collection 5 was used. Imagery data was acquired from mid-May to the end of December 2011 from the sugar beet fields located in Eqlid, Fars province, Iran. Results showed that although red and near infrared reflectance differences were relatively small at the beginning of sugar beet growing season, these differences were enhanced with canopy development and ground cover. The most red absorption and near infrared reflectance were in the maximum ground cover, and the most dramatic declines in the near infrared reflectance and relative increase in red reflectance were observed at harvest time. It was found that the RVI is able to show the status of red absorption and reflection during the growth of sugar beet canopy. The SR and NDVI change patterns demonstrated how to grow sugar beet over the growing season. Thus in the existing climate and crop management conditions in Fars province and Iran, MODIS data and vegetation indices can be used to monitor changes in canopy growth of such crops as sugar beet.

  5. [Study and design on Dyson imaging spectrometer in spectral broadband with high resolution].

    Science.gov (United States)

    Yan, Ling-Wei

    2014-04-01

    The paper designs and improves a telecentric imaging spectrometer, the Dyson imaging spectrometer. The optical structure of the imaging spectrometer is simple and compact, which is only composed of a hemispherical lens and a concave grating. Based on the Rowland circle and refraction theory, the broadband anastigmatic imaging condition of Dyson imaging spectrometer which is the ratio of the grating radius and hemispherical lens radius has been analyzed. By imposing this condition for two different wavelengths, the parameters of the optical system presenting low aberrations and excellent imaging quality are obtained. To make the design spectrometer more suitable for the engineering application, the paper studies the method making the detector not to attach the surface of the hemispherical lens. A design example using optimal conditions was designed to prove our theory. The Dyson imaging spectrometer of which the imaging RMS radii are less than 2.5 microm and the advanced spectrometer of which the imaging RMS radii are less than 8 microm, with NA 0.33, waveband 0.38-1.7 microm and the slit length 15 mm, have been obtained. The design method and results are more feasible and predominant, and can be applied in the areas of the industry and remote sensing.

  6. Reflectance and thermal properties of the urban fabric studied with aerial spectral imaging

    Science.gov (United States)

    Burud, Ingunn; Thiis, Thomas; Gaitani, Niki

    2017-09-01

    The properties of materials used in the urban fabric play an essential role to the microclimate. Their thermal performance, one of the main impacting factors to urban heat island effects, is mainly determined by the physical characteristics, optical and thermal. The present research approach aims at analyzing the relation between material properties and their thermal behavior using airborne multispectral imaging in VIS/NIR and IR with sensors mounted on Unmanned Aerial Vehicle (UAV), at a survey in Athens. The images have been combined to form maps of surface temperature distribution and of material properties. Normalized Differential Vegetation Index (NDVI) maps were computed from the VIS/NIR images and were used to classify the surface material. Calibration of the temperatures was obtained by applying correct emissivity for different materials from the classified surface material map. Maps of estimated albedo and of apparent thermal inertia were derived from the VIS/NIR images and the temperature images. Combining the surface temperature maps with maps of NDVI, albedo and apparent thermal inertia makes it is possible to identify reflectance characteristics of a variety materials utilized in the urban setting in Athens and to relate these to their thermal properties. The applied multisensory technique demonstrates how novel advances in sensor development combined with advanced data analysis provide new and unique tools for urban climate studies. The results give new perspectives of urban features for revealing the complex mechanisms that lead to microclimatic modifications and to quantify their relative contribution.

  7. The application of near-infared spectral data in studying the chloritized rocks

    Science.gov (United States)

    Yang, Min; Yang, Junlu; Ren, Guangli; Li, Jianqiang; Gao, Ting; Yi, Huan; Han, Haihui; Zhang, Zhuan; Nan, Liang

    2014-11-01

    Chlorite minerals present in altered rocks could characterised by field portable near-infrared spectroscopy. It is a kind of low-temperature altered mineral that cristal at between 100 to 400 degree centigrade. Six kinds of major alteration rocks, andesite, dacite, sillite, granite, sandstone and phyllite are shown the spectruml characteristic of chlorite. The characteristic absorption bands of chlorite are always due to OH stretch absorption and metal-OH bend absorption, but different lithology behaves different wavelengths of the absorption bands espetially for basic rocks, intermediate rocks and acid rocks. This behavior could help geologists to study the lithology and diagenetic environment. The diagnostic absorption bands of chlorite are appear at wavelengths between 2249nm and 2260nm, it dues to Fe-OH absorption and called Fe-OH band; and another important absorption band between 2335nm to 2355nm, it is caused by Mg-OH absorption and named Mg-OH band. Fe-OH band and Mg-OH band are always existence proof of chlorite. Basic rocks such as andesite and sillite, their Fe-OH bands are occured at wavelength between 2256nm and 2260nm; Mg-OH bands are located at wavelength between 2338nm to 2339nm. Intermediate rocks such as dacite and sandstone, their Fe-OH bands are appeared at wavelength between 2253nm and 2256nm; Mg-OH bands are shown at between 2237nm and 2251nm. Acid rocks such as granite and phyllite, their Fe-OH bands are shown at wavelength between 2249nm and 2252nm; Mg-OH bands are occurred at wavelength between 2340nm and 2351nm. Contrast with X-Ray Fluorescence Spectrometer measurement, the wavelength of the Fe-OH band correlates positively with the (FeO+Fe2O3) values. It varies from Mg-rich to Fe-rich varieties, and it can help us to analysis the diagenetic environment, and it could also distinguish basic rocks, intermediate rocks and acid rocks that be rich in chlorite.

  8. Study of Stark broadening of Li I 460 and 497 nm spectral lines with independent plasma diagnostics by Thomson scattering

    Science.gov (United States)

    Dzierżȩga, Krzysztof; Piȩta, Tomasz; Zawadzki, Witold; Stambulchik, Evgeny; Gavrilović-Božović, Marijana; Jovićević, Sonja; Pokrzywka, Bartłomiej

    2018-02-01

    We present results of experimental and theoretical studies of the Stark broadening of the Li I 460 nm spectral line with forbidden components and of the isolated 497 nm line. Plasma was induced by Nd:YAG laser radiation at 1064 nm with pulse duration ∼4.5 ns. Laser-induced plasma was generated in front of the alumina pellet, with some content of Li2CO3, placed in a vacuum chamber filled with argon under reduced pressure. Plasma diagnostics was performed using the laser Thomson scattering technique, free from assumptions about the plasma equilibrium state and its composition and so independently of plasma emission spectra. Spatially resolved spectra with Li lines were obtained from the measured, laterally integrated ones applying the inverse Abel transform. The Stark profiles were calculated by computer simulation method assuming a plasma in the local thermodynamic equilibrium. Calculations were performed for experimentally-inferred electron densities and temperatures, from 1.422 × 1023 to 3.55 × 1022 m‑3 and from 1.96 eV to 1.04 eV, respectively. Our studies show very good agreement between experimental Stark profiles and those computer simulated.

  9. Spectral-fluorescent study of the interaction of the polymethine dye probe Cyan 2 with chondroitin-4-sulfate

    Science.gov (United States)

    Tatikolov, Alexander S.; Akimkin, Timofey M.; Panova, Ina G.; Yarmoluk, Sergiy M.

    2017-04-01

    The noncovalent interaction of the polymethine dye probe 3,3‧,9-trimethylthiacarbocyanine iodide (Cyan 2) with chondroitin-4-sulfate (C4S) in buffer solutions with different pH and in water in the absence of buffers has been studied by spectral-fluorescent methods. It has been shown that in all media studied, at relatively high concentrations, the dye is bound to C4S mainly as a monomer, which is accompanied by a steep rise of fluorescence (the intermediate formation of dye aggregates on the biopolymer is also observed). From the dependence of the fluorescence quantum yield on the concentration of C4S, the parameters of binding of the dye monomer to C4S were obtained: the effective binding constant K, the number of the monomeric C4S units n per one dye monomer bound to C4S, and the fluorescence quantum yield of the bound dye monomer Φfb. The dependence of Φfb (and K) on pH of the medium is not monotonic: it has a minimum in the region of neutral pH and a growth in the regions of acid and basic pH. This can be explained by changing the charge of a C4S macromolecule as a function of pH and related conformational alterations in the biopolymer, which can affect the rigidity of a dye molecule and the energy of its interaction with the biopolymer.

  10. Cross-spectral study of the spatial relationships in the North Pacific sea-surface temperature anomaly field. Report No. 23

    Energy Technology Data Exchange (ETDEWEB)

    Middleton, J.W.

    1980-03-01

    Cross-spectral analysis is used to examine the dependence of the temporal covariation of sea-surface temperature (SST) anomalies at pairs of spatially separated points in the North Pacific on (1) the time scale of the variations, (2) the relative displacement of the points and (3) their location within the North Pacific basin. Spatial scales considered here range from 1000 kilometers up to the width of the basin. The study focuses on cross-spectral estimates for the interannual frequency band, 0.125-0.75 yr/sup -1/ although estimates for three other bands spanning higher frequencies are also examined.

  11. The Infrared Telescope Facility (IRTF) Spectral Library: Cool Stars

    Science.gov (United States)

    Rayner, John T.; Cushing, Michael C.; Vacca, William D.

    2009-12-01

    We present a 0.8-5 μm spectral library of 210 cool stars observed at a resolving power of R ≡ λ/Δλ ~ 2000 with the medium-resolution infrared spectrograph, SpeX, at the 3.0 m NASA Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii. The stars have well-established MK spectral classifications and are mostly restricted to near-solar metallicities. The sample not only contains the F, G, K, and M spectral types with luminosity classes between I and V, but also includes some AGB, carbon, and S stars. In contrast to some other spectral libraries, the continuum shape of the spectra is measured and preserved in the data reduction process. The spectra are absolutely flux calibrated using the Two Micron All Sky Survey photometry. Potential uses of the library include studying the physics of cool stars, classifying and studying embedded young clusters and optically obscured regions of the Galaxy, evolutionary population synthesis to study unresolved stellar populations in optically obscured regions of galaxies and synthetic photometry. The library is available in digital form from the IRTF Web site.

  12. Synthesis and structural studies of some trivalent lanthanide complexes of isonicotinic acid hydrazide

    International Nuclear Information System (INIS)

    Rao, T.R.; Khan, I.A.; Aggarwal, R.C.

    1985-01-01

    Trivalent lanthanides have been found to form complexes with isonicotinic acid hydrazide (INH) of the type M(INH) 3 X 3 [X=Cl, SCN; M=La(III), Pr(III), Nd(III), Sm(III) and Gd(III)]. The complexes have been characterized by elemental analysis, molar conductance, magnetic susceptibility, infrared and electronic spectral studies. The nephelauxetic ratio (β), covalency (δ) and bonding parameter (b 1/1 ) have been calculated from the electronic spectra. Infrared spectral studies reveal that INH acts as a neutral bidentate chelating ligand in all the complexes and that thiocyanate is N-bonded. (author)

  13. Synthesis, crystal growth and studies on non-linear optical property of new chalcones

    Science.gov (United States)

    Sarojini, B. K.; Narayana, B.; Ashalatha, B. V.; Indira, J.; Lobo, K. G.

    2006-09-01

    The synthesis, crystal growth and non-linear optical (NLO) property of new chalcone derivatives are reported. 4-Propyloxy and 4-butoxy benzaldehydes were made to under go Claisen-Schmidt condensation with 4-methoxy, 4-nitro and 4-phenoxy acetophenones to form corresponding chalcones. The newly synthesized compounds were characterized by analytical and spectral data. The Second harmonic generation (SHG) efficiency of these compounds was measured by powder technique using Nd:YAG laser. Among tested compounds three chalcones showed NLO property. The chalcone 1-(4-methoxyphenyl)-3-(4-propyloxy phenyl)-2-propen-1-one exhibited SHG conversion efficiency 2.7 times that of urea. The bulk crystal of 1-(4-methoxyphenyl)-3-(4-butoxyphenyl)-2-propen-1-one (crystal size 65×28×15 mm 3) was grown by slow-evaporation technique from acetone. Microhardness of the crystal was tested by Vicker's microhardness method.

  14. A comparative study of the spectral, fluorometric properties and photostability of natural curcumin, iron- and boron- complexed curcumin

    Science.gov (United States)

    Mohammed, Fatima; Rashid-Doubell, Fiza; Cassidy, Seamas; Henari, Fryad

    2017-08-01

    Curcumin is a yellow phenolic compound with a wide range of reported biological effects. However, two main obstacles hinder the use of curcumin therapeutically, namely its poor bioavailability and photostability. We have synthesized two curcumin complexes, the first a boron curcumin complex (B-Cur2) and the second an iron (Fe-Cur3) complex of curcumin. Both derivatives showed high fluorescence efficiency (quantum yield) and greater photostability in solution. The improved photostability could be attributed to the coordination structures and the removal of β-diketone group from curcumin. The fluorescence and ultra violet/visible absorption spectra of curcumin, B-Cur2 and Fe-Cur3 all have a similar spectral pattern when dissolved in the same organic solvent. However, a shift towards a lower wavelength was observed when moving from polar to non-polar solvents, possibly due to differences in solvent polarity. A plot of Stokes' shift vs the orientation polarity parameter (Δf) or vs the solvent polarity parameter (ET 30) showed an improved correlation between the solvent polarity parameter than with the orientation polarity parameter and indicating that the red shift observed could be due to hydrogen-bonding between the solvent molecules. A similar association was obtained when Stokes' shift was replaced by maximum synchronous fluorescence. Both B-Cur2 and Fe-Cur3 had larger quantum yields than curcumin, suggesting they may be good candidates for medical imaging and in vitro studies.

  15. Structural, electronic and spectral properties of carborane-containing boron dipyrromethenes (BODIPYs): A first-principles study.

    Science.gov (United States)

    Li, Xiaojun

    2017-10-05

    In this work, we reported the geometrical structures, electronic and spectral properties of the carborane-containing BODIPYs complexes using the density functional theory calculations. In two structures, the calculated main bond lengths and bond angels of structural framework are consistent with X-ray experiment, and the two BODIPYs complexes are thermodynamically and kinetically stable. The strongest DOS band is mainly dominated by the BB and BH σ-bonds of carborane fragment, whereas the π-type MOs on the pyrromethene fragment contribute to the high-energy DOS bands. Analysis of the AdNDP chemical bonding indicates that the carborane cage can be stabilized by eleven delocalized 3c2e and two delocalized 4c2e σ-bonds, while the pyrromethene fragment corresponds to five delocalized 3c2e π-bonds. In addition, the main characteristic peaks of the two simulated IR spectra for the BODIPYs complexes are properly assigned. Hopefully, all these results will be helpful for understanding the electronic structures, and further stimulate the study on the biological and medical applications. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Synthesis, characterization, antimicrobial and anticancer studies of new steroidal pyrazolines

    Directory of Open Access Journals (Sweden)

    Shamsuzzaman

    2016-01-01

    Full Text Available A convenient synthesis of 2′-(2″,4″-dinitrophenyl-5α-cholestano [5,7-c d] pyrazolines 4–6 from cholest-5-en-7-one 1–3 was performed and structural assignment of the products was confirmed on the basis of IR, 1H NMR, 13C NMR, MS and analytical data. The synthesized compounds were screened for in vitro antimicrobial activity against different strains during which compound 6 showed potent antimicrobial behaviour against Corynebacterium xerosis and Staphylococcus epidermidis. The synthesized compounds were also screened for in vitro anticancer activity against human cancer cell lines during which compound 5 exhibited significant anticancer activity.

  17. Synthesis, structure, spectral properties and theoretical studies of two half-sandwich titanium-complexes with adamantoxy ligands

    Czech Academy of Sciences Publication Activity Database

    Varga, Vojtěch; Mach, Karel; Pinkas, Jiří; Kubišta, Jiří; Szarka, K.; Gyepes, R.

    2017-01-01

    Roč. 1142, AUG 2017 (2017), s. 248-254 ISSN 0022-2860 R&D Projects: GA ČR(CZ) GAP207/12/2368; GA ČR(CZ) GA14-08531S Institutional support: RVO:61388955 Keywords : half- sandwich complex * ionic complex * solid-state structure Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 1.753, year: 2016

  18. Conventional and microwave synthesis, spectral, thermal and antimicrobial studies of some transition metal complexes containing 2-amino-5-methylthiazole moiety

    Directory of Open Access Journals (Sweden)

    A.P. Mishra

    2014-12-01

    Full Text Available Schiff base metal complexes of Cr(III, Co(II, Ni(II and Cu(II derived from 5-chlorosalicylidene-2-amino-5-methylthiazole (HL1 and 2-hydroxy-1-naphthylidene-2-amino-5-methylthiazole (HL2 have been synthesized by conventional as well as microwave methods. These compounds have been characterized by elemental analysis, FT-IR, FAB-mass, molar conductance, electronic spectra, 1H-NMR, ESR, magnetic susceptibility, thermal, electrical conductivity and XRD analyses. The complexes exhibit coordination number 4 or 6. The complexes are coloured and stable in air. Analytical data reveal that all the complexes exhibit 1:2 (metal:ligand ratio. IR data show that the ligand coordinates with the metal ions in a bidentate manner through the phenolic oxygen and azomethine nitrogen. FAB-mass and thermal data show degradation pattern of the complexes. The thermal behaviour of metal complexes shows that the hydrated complexes lose water molecules of hydration in the first step; followed by decomposition of ligand molecules in the subsequent steps. XRD patterns indicate crystalline nature for the complexes. The Schiff bases and metal complexes show good activity against the Gram-positive bacteria; Staphylococcus aureus and Gram-negative bacteria; Escherichia coli and fungi Aspergillus niger and Candida albicans. The antimicrobial results also indicate that the metal complexes are better antimicrobial agents as compared to the Schiff bases.

  19. Synthesis, spectral and thermal studies of some lanthanide(III) complexes of 4-[N-(benzalidene) amino] antipyrine thiosemicarbazone

    International Nuclear Information System (INIS)

    Singh, Lakshman; Tyagi, Neelam; Dhaka, Naresh P.; Sindhu, S.K.

    1999-01-01

    A new series of sixteen lanthanide(III) complexes of 4[N-(benzalidene) amino] antipyrine thiosemicarbazone (BAAPTS) with the general composition LnX 3 .n(BAAPTS) (X =Cl - , n = 2; X = NO -3 , n = 1; Ln = La, Pr, Nd, Sm, Gd, Tb, Dy and Ho) have been synthesized and characterized by chemical analysis, conductance, molar weight, magnetic moments measurements, infrared and electronic spectra. The ligand BAAPTS behaves as neutral tridentate (N, N, S) ligand. The probable coordination number is nine in these complexes. (author)

  20. Synthesis, spectral characterization and crystals structure of some arsane derivatives of gold (I complexes: a comparative density functional theory study.

    Directory of Open Access Journals (Sweden)

    Omar Bin Shawkataly

    Full Text Available A series of complexes of the type LAuCl where L = tris(p-tolylarsane, tris(m-tolylarsane, bis(diphenylarsanoethane, and tris(naphthylarsane have been synthesized. All of the new complexes, 1-4, have been fully characterized by means of ¹H NMR and ¹³C NMR spectroscopy and single crystal X-ray crystallography. The structures of complexes 1-4 have been determined from X-ray diffraction data. The linear molecules have an average bond distance between gold-arsenic and gold-chlorine of 2.3390Å and 2.2846Å, respectively. Aurophilic interaction was prominent in complex 1 and 3, whereas complex 2 and 4 do not show any such interaction. The intermolecular gold interaction bond length was affected by the electronegativity of the molecule. The computed values calculated at DFT level using B3LYP function are in good agreement with the experimental results.

  1. Synthesis, structure, spectral properties and theoretical studies of two half-sandwich titanium-complexes with adamantoxy ligands

    Czech Academy of Sciences Publication Activity Database

    Varga, Vojtěch; Mach, Karel; Pinkas, Jiří; Kubišta, Jiří; Szarka, K.; Gyepes, R.

    2017-01-01

    Roč. 1142, AUG 2017 (2017), s. 248-254 ISSN 0022-2860 R&D Projects: GA ČR(CZ) GAP207/12/2368; GA ČR(CZ) GA14-08531S Institutional support: RVO:61388955 Keywords : half-sandwich complex * ionic complex * solid-state structure Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 1.753, year: 2016

  2. Water soluble (Eta sup (6) - arene) ruthenium (II) complexes incorporating marine derived bioligand: Synthesis, spectral and structural studies

    Digital Repository Service at National Institute of Oceanography (India)

    Singh, K.S.; Svitlyk, V.; PrabhaDevi; Mozharivskyj, Y.

    of 8 molecules per unit cell of which two independent molecules are shown in figure 1. The distance between centroid of the ring and ruthenium for molecule A is 1.641 Å while for molecule B is 1.648 Å. The structure showed shorter bond distance of C...). The complex crystallizes in P1 space group in a 12 triclinic crystal system. The distance between centroid of p-cymene ring and ruthenium are 1.562 Å and 1.759 Å, respectively. The molecule adopt the well known piano stool structure where the bond angle N...

  3. Synthesis, crystallographic and spectral studies of homochiral cobalt(II) and nickel(II) complexes of a new terpyridylaminoacid ligand

    Science.gov (United States)

    Wang, Xing; Gao, Chang-Qing; Gao, Zhi-Yang; Wu, Ben-Lai; Niu, Yun-Yin

    2018-04-01

    Based on a chiral terpyridylaminoacid ligand, a series of homochiral Co(II) and Ni(II) complexes, namely, [Co(H2L)(HL)]·Cl·(PF6)2·2H2O (1), [Ni(H2L)(HL)]·Cl·(PF6)2 (2), [Co2(L)2(CH3OH)(H2O)]·(PF6)2·CH3OH (3), [Ni2(L)2(CH3OH)2]·(PF6)2·2CH3OH (4), [Co2(L)2(N3)2]·3H2O (5), and [Ni2(L)2(SCN)2]·4H2O (6) have been successfully synthesized and characterized by elemental analysis, TGA, spectroscopic methods (IR, CD and electronic absorption spectra) and single-crystal X-ray diffraction structural analysis (HL = (S)-2-((4-([2,2':6‧,2″-terpyridin]-4‧-yl)benzyl)amino)-4-methylpentanoic acid). In the acidic reaction conditions, one protonated (H2L)+ and one zwitterionic HL only used their terpyridyl groups to chelate one metal ion Co(II) or Ni(II), forming chiral mononuclear cationic complexes 1 or 2. But in the basic and hydro(solvo)thermal reaction conditions, deprotonated ligands (L)‒ acting as bridges used their terpyridyl and amino acid groups to link with two Co(II) or Ni(II) ions, fabricating chiral dinuclear metallocyclic complexes 3-6. Those chiral mononuclear and dinuclear complexes whose chirality originates in the homochiral ligand HL further self-assemble into higher-dimensional homochiral supramolecular frameworks through intermolecular hydrogen-bonding and π···π interactions. Notably, the coordination mode, hydrogen-bonding site, and existence form of HL ligand can be controlled by the protonation of its amino group, and the architectural diversity of those supramolecular frameworks is adjusted by pH and counter anions. Very interestingly, the 3D porous supramolecular frameworks built up from the huge chiral mononuclear cationic complexes 1 and 2 have novel helical layers only formed through every right-handed helical chain intertwining with two adjacent same helical chains, and the 2D supramolecular helicate 5 consists of two types of left-handed helical chains.

  4. Contrast-enhanced spectral mammography in recalls from the Dutch breast cancer screening program : validation of results in a large multireader, multicase study

    NARCIS (Netherlands)

    Lalji, U C; Houben, I P L; Prevos, R; Gommers, S; van Goethem, M; Vanwetswinkel, S; Pijnappel, R; Steeman, R; Frotscher, C; Mok, W; Nelemans, P; Smidt, M L; Beets-Tan, R G; Wildberger, J E; Lobbes, M B I

    2016-01-01

    OBJECTIVES: Contrast-enhanced spectral mammography (CESM) is a promising problem-solving tool in women referred from a breast cancer screening program. We aimed to study the validity of preliminary results of CESM using a larger panel of radiologists with different levels of CESM experience.

  5. Studying the effect of spectral variations intensity of the incident solar radiation on the Si solar cells performance

    Directory of Open Access Journals (Sweden)

    Ahmed Elsayed Ghitas

    2012-12-01

    Full Text Available Solar spectral variation is important in characterization of photovoltaic devices. We present results of an experimental investigation of the effects of the daily spectral variation on the device performance of multicrystalline silicon photovoltaic module. The investigation concentrate on the analysis of outdoor solar spectral measurements carried out at 1 min intervals on clear sky days. Short circuit current and open circuit voltage have been measured to describe the module electrical performance. We have shown that the shift in the solar spectrum towards infrared has a negative impact on the device performance of the module. The spectral bands in the visible region contribute more to the short circuit current than the bands in the infrared region while the ultraviolet region contributes least. The quantitative effect of the spectral variation on the performance of the photovoltaic module is reflected on their respective device performance parameters. The decrease in the visible and the increase in infrared of the radiation spectra account for the decreased current collection and hence power of the module.

  6. Studies toward the synthesis of Amaryllidaceae alkaloids from Morita-Baylis-Hillman adducts: a straightforward synthesis of functionalized dihydroisoquinoline-5(6H)-one core

    International Nuclear Information System (INIS)

    Lopes, Elizandra C.S.; Coelho, Fernando

    2007-01-01

    We disclose herein our results concerning a study aiming at the synthesis of the highly substituted carbon skeleton of alkaloids isolated from plants of the Amaryllidaceae family. The total synthesis of the functionalized dihydroisoquinoline-5(6H)-one core, which is the bottom part of the structure of alkaloids isolated from this botanic family, is described, using Morita-Baylis-Hillman adducts as substrate. This compound should be a useful and valuable intermediate for the total synthesis of alkaloids isolated from Amaryllidaceae. (author)

  7. Studies toward the synthesis of Amaryllidaceae alkaloids from Morita-Baylis-Hillman adducts: a straightforward synthesis of functionalized dihydroisoquinoline-5(6H)-one core

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Elizandra C.S.; Coelho, Fernando [Universidade Estadual de Campinas, SP (Brazil). Inst. de Quimica]. E-mail: coelho@iqm.unicamp.br

    2007-07-01

    We disclose herein our results concerning a study aiming at the synthesis of the highly substituted carbon skeleton of alkaloids isolated from plants of the Amaryllidaceae family. The total synthesis of the functionalized dihydroisoquinoline-5(6H)-one core, which is the bottom part of the structure of alkaloids isolated from this botanic family, is described, using Morita-Baylis-Hillman adducts as substrate. This compound should be a useful and valuable intermediate for the total synthesis of alkaloids isolated from Amaryllidaceae. (author)

  8. Spatiotemporal Built-up Land Density Mapping Using Various Spectral Indices in Landsat-7 ETM+ and Landsat-8 OLI/TIRS (Case Study: Surakarta City)

    Science.gov (United States)

    Risky, Yanuar S.; Aulia, Yogi H.; Widayani, Prima

    2017-12-01

    Spectral indices variations support for rapid and accurate extracting information such as built-up density. However, the exact determination of spectral waves for built-up density extraction is lacking. This study explains and compares the capabilities of 5 variations of spectral indices in spatiotemporal built-up density mapping using Landsat-7 ETM+ and Landsat-8 OLI/TIRS in Surakarta City on 2002 and 2015. The spectral indices variations used are 3 mid-infrared (MIR) based indices such as the Normalized Difference Built-up Index (NDBI), Urban Index (UI) and Built-up and 2 visible based indices such as VrNIR-BI (visible red) and VgNIR-BI (visible green). Linear regression statistics between ground value samples from Google Earth image in 2002 and 2015 and spectral indices for determining built-up land density. Ground value used amounted to 27 samples for model and 7 samples for accuracy test. The classification of built-up density mapping is divided into 9 classes: unclassified, 0-12.5%, 12.5-25%, 25-37.5%, 37.5-50%, 50-62.5%, 62.5-75%, 75-87.5% and 87.5-100 %. Accuracy of built-up land density mapping in 2002 and 2015 using VrNIR-BI (81,823% and 73.235%), VgNIR-BI (78.934% and 69.028%), NDBI (34.870% and 74.365%), UI (43.273% and 64.398%) and Built-up (59.755% and 72.664%). Based all spectral indices, Surakarta City on 2000-2015 has increased of built-up land density. VgNIR-BI has better capabilities for built-up land density mapping on Landsat-7 ETM + and Landsat-8 OLI/TIRS.

  9. Mechanical Spectral Signatures of Malignant Disease? A Small-Sample, Comparative Study of Continuum vs. Nano-Biomechanical Data Analyses

    Directory of Open Access Journals (Sweden)

    Jun Liu

    2002-01-01

    Full Text Available Thin sections from human breast biopsies were employed to perform a differential analysis of the ultrasound spectral responses from invasive ductal carcinoma and normal tissue. A non-destructive testing methodology was employed, yielding the reflection coefficients as function of frequency in the clinical ultrasound range. The spectral responses were simulated both in the context of continuum and nano-biomechanics, with the objective of quantifying the physical properties that determine the differences in the spectral signature of normal vs. malignant tissue. The properties that were employed for the theoretical reconstruction of the spectra were: the density, the continuum and the nanomechanical elastic constants, and the nanomechanical theory internodal distance. The latter is a measure of the depth-of-penetration of mechanical actions between contiguous tissue elements. Together with vectorial descriptors of the tissue spatial arrangement, the internodal distance variable affords the quantitative incorporation of tissue architectural data in the theoretical model.

  10. Spectral study on conformation switchable cationic calix[4]carbazole serving as curcumin container, stabilizer and sustained-delivery carrier

    Science.gov (United States)

    Zhao, Liang; Kang, Le; Chen, Yan; Li, Gang; Wang, Lan; Hu, Chun; Yang, Peng

    2018-03-01

    A fluorescent 2,7-dimethoxy-substituted calix[4]carbazole (1) is facilely synthesized. The spectral behaviors of both the guest-induced switchable conformation of 1 and its abilities serving as the stabilizer and molecular carrier of curcumin are investigated. UV-vis, fluorescence and NMR spectral results show that upon binding to curcumin, the 1,3-alternate conformation of 1 is converted to be the cone one. The relative high association constant (6.4 × 106 M- 1) of 1 binding to curcumin enables it to stabilize the curcumin, to suppress its degradation, and to sustainably deliver it into the EYPC vesicles within 20 h. Moreover, the cytotoxicity assay shows that 1 does not interfere the antiproliferative activities of curcumin. All these properties endow 1 the potential capability of serving as the molecular drug carrier. Our current result may pave the way looking for more efficient fluorescent calixcarbazoles and thereof spectral utilities.

  11. Thermodynamic Study of the Ion-Pair Complexation Equilibria of Dye and Surfactant by Spectral Titration and Chemometric Analysis

    Directory of Open Access Journals (Sweden)

    Hakimeh Abbasi Awal

    2017-12-01

    Full Text Available Surfactant-dye interactions are very important in chemical and dyeing processes. The dyes interact strongly with surfactant and show new spectrophotometric properties, so the UV-vis absorption spectrophotometric method has been used to study this process and extract some thermodynamic parameters. In this work, the association equilibrium between ionic dyes and ionic surfactant were studied by analyzing spectrophotometric data using chemometric methods. Methyl orange and crystal violet were selected as a model of cationic and anionic dyes respectively. Also sodium dodecyl sulphate and cetyltrimethylammonium bromide were selected as anionic and cationic surfactant, respectively. Hard model methods such as target transform fitting (TTF classical multi-wavelength fitting and soft model method such as multivariate curve resolution (MCR were used to analyze data that were recorded as a function of surfactant concentration in premicellar and postmicellar regions. Hard model methods were used to resolve data using ion-pair model in premicellar region in order to extract the concentration and spectral profiles of individual components and also related thermodynamic parameters. The equilibrium constants and other thermodynamic parameters of interaction of dyes with surfactants were determined by studying the dependence of their absorption spectra on the temperature in the range 293–308 K at concentrations of 5 × 10−6 M and 8 × 10−6 M for dye crystal violet and methyl orange, respectively. In postmicellar region, the MCR-ALS method was applied for resolving data and getting the spectra and concentration profiles in complex mixtures of dyes and surfactants.

  12. Eco-friendly green synthesis of silver nanoparticles using salmalia malabarica: synthesis, characterization, antimicrobial, and catalytic activity studies

    Science.gov (United States)

    Murali Krishna, I.; Bhagavanth Reddy, G.; Veerabhadram, G.; Madhusudhan, A.

    2016-06-01

    An economically viable and "green" process has been developed for the synthesis of silver nanoparticles (AgNPs) with an average size of 7 nm using non-toxic and renewable salmalia malabarica gum (SMG) as reducing and capping agent without using any chemical reducing agent. The effect of various parameters such as concentration of SMG and silver nitrate and reaction time for the synthesis of AgNPs was studied. The synthesized AgNPs are systematically characterized by UV/Vis spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction and Transmission electron microscopy. The resultant SMG-capped AgNPs are highly stable and had significant antibacterial action on both Escherichia coli ( E. coli) and Staphylococcus aureus ( S. aureus). The catalytic action of the SMG-capped AgNPs to initiate the reduction of 4-nitrophenol (4-NP) in the presence of NaBH4 has also been reported. The kinetics of the reaction was found to be of pseudo-first-order with respect to the 4-NP.

  13. Synthesis, structural studies and antituberculosis evaluation of new hydrazone derivatives of quinoline and their Zn(II complexes

    Directory of Open Access Journals (Sweden)

    Mustapha C. Mandewale

    2018-02-01

    Full Text Available The quinoline hydrazone ligands were synthesized through multi-step reactions. The 2-hydroxy-3-formylquinoline derivatives (1a–1c were prepared from acetanilide derivatives as starting materials using Vilsmeier–Haack reaction. Then the condensation of 2-hydroxy-3-formylquinoline derivatives with hydrazide derivatives (2a–2c yielded quinoline hydrazone ligands (3a–3i. The synthesis of a new series of Zn(II complexes carried out by refluxing with these quinoline hydrazone ligands (3a–3i is reported. The molecular structures of the ligands (3a–3i and the Zn complexes were characterized by elemental analysis and spectral studies like FT-IR, 1H and 13C NMR, MS, UV–Visible and fluorescence. The preliminary results of antituberculosis study showed that most of the Zn(II complexes 4a–4i demonstrated very good antituberculosis activity while the ligands 3a–3i showed moderate activity. Among the tested compounds 4e and 4g were found to be most active with minimum inhibitory concentration (MIC of 8.00μM and 7.42 μM respectively against Mycobacterium tuberculosis (H37 RV strain ATCC No-27294 which is comparable to “first and second line” drugs used to treat tuberculosis.

  14. [Spectral analysis in nanometer material science].

    Science.gov (United States)

    Chen, Wei; Sun, Shi-gang

    2002-06-01

    Spectral analysis is an important means in studies of nanometer scale systems, and is essential for deep understanding the structure and properties of nanometer materials. This paper reviews the recent progresses made in studies of nanometer materials using spectral analysis methods such as UV-Visible spectroscopy, FTIR spectroscopy, Raman spectroscopy, Mössbauer spectroscopy, positron annihilation and photoacoustic spectroscopy. The principle, characteristics and applications of most frequently employed spectral methods are introduced briefly and illustrated with typical examples. Future perspectives of spectral analysis in nanometer field are discussed. New directions of establishing spectral analysis methods at nanometer scale resolution and developing new spectroscopy technology in nanometer material studies are also emphasized.

  15. DNA-binding, catalytic oxidation, C—C coupling reactions and antibacterial activities of binuclear Ru(II thiosemicarbazone complexes: Synthesis and spectral characterization

    Directory of Open Access Journals (Sweden)

    Arumugam Manimaran

    2012-07-01

    Full Text Available New hexa-coordinated binuclear Ru(II thiosemicarbazone complexes of the type {[(B(EPh3(COClRu]2L} (where, E = P or As; B = PPh3 or AsPh3 or pyridine; L = mononucleating NS donor of N-substituted thiosemicarbazones have been synthesized and characterized by elemental analysis, FT-IR, UV–vis and 31P{1H} NMR cyclic voltammetric studies. The DNA-binding studies of Ru(II complexes with calf thymus DNA (CT-DNA were investigated by UV–vis, viscosity measurements, gel-electrophoresis and fluorescence spectroscopy. The new complexes have been used as catalysts in C—C coupling reaction and in the oxidation of alcohols to their corresponding carbonyl compounds by using NMO as co-oxidant and molecular oxygen (O2 atmosphere at ambient temperature. Further, the new binucleating thiosemicarbazone ligands and their Ru(II complexes were also screened for their antibacterial activity against Klebsiella pneumoniae, Shigella sp., Micrococcus luteus, Escherichia coli and Salmonella typhi. From this study, it was found out that the activity of the complexes almost reaches the effectiveness of the conventional bacteriocide.

  16. Auditory evoked fields elicited by spectral, temporal, and spectral-temporal changes in human cerebral cortex

    Directory of Open Access Journals (Sweden)

    Hidehiko eOkamoto

    2012-05-01

    Full Text Available Natural sounds contain complex spectral components, which are temporally modulated as time-varying signals. Recent studies have suggested that the auditory system encodes spectral and temporal sound information differently. However, it remains unresolved how the human brain processes sounds containing both spectral and temporal changes. In the present study, we investigated human auditory evoked responses elicited by spectral, temporal, and spectral-temporal sound changes by means of magnetoencephalography (MEG. The auditory evoked responses elicited by the spectral-temporal change were very similar to those elicited by the spectral change, but those elicited by the temporal change were delayed by 30 – 50 ms and differed from the others in morphology. The results suggest that human brain responses corresponding to spectral sound changes precede those corresponding to temporal sound changes, even when the spectral and temporal changes occur simultaneously.

  17. Synthesis, structural, spectral (FTIR, FT-Raman, UV, NMR), NBO and first order hyperpolarizability analysis of N-phenylbenzenesulfonamide by density functional theory.

    Science.gov (United States)

    Govindarasu, K; Kavitha, E; Sundaraganesan, N

    2014-12-10

    In this study sulfonamide compound, N-phenylbenzenesulfonamide (NPBS) has been synthesized and grown as a high quality single crystal by the slow evaporation solution growth technique. The grown crystals were characterized by the Fourier transform infrared (4000-400cm(-1)), Fourier transform Raman (3500-500cm(-1)), UV-Vis (200-800nm) and NMR spectroscopy. Density functional (DFT) calculations have been carried out for the compound NPBS by utilizing DFT level of theory using B3LYP/6-31G(d,p) as basis set. The theoretical vibrational frequencies and optimized geometric parameters such as bond lengths and bond angles have been calculated by using quantum chemical methods. The stability of the molecule arising from hyper conjugative interaction and charge delocalization has been analyzed using NBO analysis. The dipole moment, linear polarizability and first order hyperpolarizability values were also computed. The chemical reactivity and ionization potential of NPBS were also calculated. In addition, Molecular Electrostatic Potential (MEP), Frontier Molecular Orbital (FMO) analysis was investigated using theoretical calculations. The thermodynamic properties of the compound were calculated at different temperatures and corresponding relations between the properties and temperature were also studied. Finally, geometric parameters, vibrational bands were compared with available experimental data of the molecules. Published by Elsevier B.V.

  18. Synthesis and Studies of Sulfur-Containing Heterocyclic Molecules for Molecular Electronics

    DEFF Research Database (Denmark)

    Mazzanti, Virginia

    This work describes the synthesis and studies of sulfur containing π conjugated heterocycles, which are considered interesting motifs in the field of molecular electronics. The first project, which is covered in Chapter 1, concerns the functionalization of tetracycle dibenzo[bc,fg][1,4]dithiapent......This work describes the synthesis and studies of sulfur containing π conjugated heterocycles, which are considered interesting motifs in the field of molecular electronics. The first project, which is covered in Chapter 1, concerns the functionalization of tetracycle dibenzo[bc,fg][1...... the synthesis of dimeric structures of redox active system tetrathiafulvalene (TTF). Molecules with different conjugation pathways bridging two TTFs were synthesized and studied using CV and DPV in order to probe the electronic interaction between these two redox units. The last aspect of this thesis, which...

  19. A zinc(II) quinolinone complex (Et3NH)[Zn(qui)Cl2]: Synthesis, X-ray structure, spectral properties and in vitro cytotoxicity

    Science.gov (United States)

    Buchtík, Roman; Nemec, Ivan; Trávníček, Zdeněk

    2014-02-01

    A new zinc(II) complex with 2-phenyl-3-hydroxy-4(1H)-quinolinone (Hqui) of the composition (Et3NH)[Zn(qui)Cl2] was prepared and characterized by elemental analysis, FT IR, 1D and 2D NMR, and fluorescence spectroscopy, mass spectrometry and single crystal X-ray analysis. The molecular structure is composed of the triethylammonium (Et3NH+) cations and tetrahedral [ZnII(qui)Cl2]- complex anions, in which the Zn(II) atoms are bidentate coordinated by one qui ligand through keto (OK) and phenolate (OP) oxygen atoms and by two chlorido ligands, thus forming the {O2Cl2} donor set, with Zn-OK = 1.9860(14) Å, Zn-OP 1.9961(14) Å and Zn-Cl = 2.2509(6) Å and 2.2266(6) Å. The complex cations are aligned into 1D supramolecular chains through the NH⋯Cl hydrogen bonding between the amine group of the quinolinone ligand and the chlorido ligand of the adjacent complex anion. The amine group from the Et3NH+ cations provides the NH⋯OP hydrogen bond with the phenolate oxygen atoms from the complex anion. Screening of in vitro cytotoxicity of the compound was studied on human osteosarcoma (HOS) and human breast adenocarcinoma (MCF7) cell lines, with IC50 > 50 μM. The fluorescence study showed that the complex exhibits a relatively high integral intensity (29%) as compared to the standard quinine sulfate, and 1.6-fold enhancement of emission with respect to free Hqui.

  20. Synthesis, structural, spectroscopic and docking studies of new 5C-substituted 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitriles

    Science.gov (United States)

    Vereshchagin, Anatoly N.; Elinson, Michail N.; Anisina, Yuliya E.; Ryzhkov, Fedor V.; Goloveshkin, Alexander S.; Novikov, Roman A.; Egorov, Mikhail P.

    2017-10-01

    Multicomponent synthesis of 5-C substituted 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitriles from salicylaldehydes 2-aminoprop-1-ene-1,1,3-tricarbonitrile and 1,3-cyclohexanediones was carried out in 59-88% yields. The structures of compounds obtained were characterized by several techniques, including elemental analysis, IR, XRD, mass, 1H, 13C and NOESY spectral studies. The chromeno[2,3-b]pyridines obtained are enols in solid phase. Keto-enol equilibrium is observed in DMSO solutions. Molecular docking studies of the synthesized chromeno[2,3-b]pyridine-3-carbonitriles were also carried out to elucidate their relationship with the binding pockets of the mitogen activated protein kinase (MK). It have been found that chlorine-containing chromeno[2,3-b]pyridines have best binding energy both MK-1 and MK-2.