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Sample records for raman active fe-n

  1. Unraveling the Nature of Sites Active toward Hydrogen Peroxide Reduction in Fe?N?C Catalysts

    OpenAIRE

    Choi, Chang Hyuck; Choi, Won Seok; Kasian, Olga; Mechler, Anna K.; Sougrati, Moulay Tahar; Br?ller, Sebastian; Strickland, Kara; Jia, Qingying; Mukerjee, Sanjeev; Mayrhofer, Karl J. J.; Jaouen, Fr?d?ric

    2017-01-01

    Abstract Fe?N?C catalysts with high O2 reduction performance are crucial for displacing Pt in low?temperature fuel cells. However, insufficient understanding of which reaction steps are catalyzed by what sites limits their progress. The nature of sites were investigated that are active toward H2O2 reduction, a key intermediate during indirect O2 reduction and a source of deactivation in fuel cells. Catalysts comprising different relative contents of FeN x C y moieties and Fe particles encapsu...

  2. Promotional effect of phosphorus doping on the activity of the Fe-N/C catalyst for the oxygen reduction reaction

    DEFF Research Database (Denmark)

    Hu, Yang; Zhu, Jianbin; Lv, Qing

    2015-01-01

    Cost-effective, active and stable electrocatalysts for the oxygen reduction reaction (ORR) are highly desirable for the wide-spread adoption of technologies such as fuel cells and metal-air batteries. Among the already reported non-precious metal catalysts, carbon-supported transition metal...... to that for the undoped Fe-N/C catalyst. The activity and durability of the catalysts are demonstrated in direct methanol fuel cells....

  3. Oxygen reduction activities compared in rotating-disk electrode and proton exchange membrane fuel cells for highly active Fe-N-C catalysts

    International Nuclear Information System (INIS)

    Jaouen, F.; Goellner, V.; Lefèvre, M.; Herranz, J.; Proietti, E.; Dodelet, J.P.

    2013-01-01

    In the past three years, two novel synthesis methods for non-precious metal catalysts resulting in a breakthrough of their activity and performance at the cathode of the proton-exchange membrane fuel cell (PEMFC) have been reported by the group of Prof. Dodelet. While the activity of these novel Fe-based catalysts for the oxygen reduction reaction is very high in PEMFC, our preliminary activity measurements with the rotating disk electrode (RDE) technique on one of them showed an activity being a factor 30–100 lower than the one measured in PEMFC at 80 °C. The present work explains to a large extent this huge difference. Two Fe-N-C catalysts synthesized via our novel approaches and one Fe-N-C catalyst synthesized via our classical approach were investigated in RDE and PEMFC. In both systems, the effect of the ink formulation (Nafion-to-catalyst ratio) was investigated. Optimization of the RDE ink formulation explains a factor between 5 and 10 in the two-decade gap mentioned above. Then, the effect of temperature in the RDE system was investigated. An increase from 20 to 80 °C was found to result in a theoretical maximum twofold increase in activity. However, in practice, decreased O 2 solubility with increased temperature cancels this effect. After taking into account these two parameters, a difference in ORR activity between RDE and PEMFC of ca a factor five still remained for one of the two novel Fe-N-C catalysts investigated here. The lower initial activity measured in RDE for this catalyst is shown to be due to the fast adsorption of anions (HSO 4 − ) from the liquid H 2 SO 4 electrolyte on protonated nitrogen atoms (NH + ) found on its surface. The phenomenon of anion adsorption and associated decreased ORR activity also applies to the other novel Fe-N-C catalyst, but is slower and does not immediately occur in RDE.

  4. The dependence of activity coefficient on intensive thermodynamic parameters in a liquid Fe-N-V alloy

    Energy Technology Data Exchange (ETDEWEB)

    Hutny, A.; Siwka, J. [Faculty of Materials Processing Technology and Applied Physics, Technical Univ. of Czestochowa (Poland)

    2003-07-01

    The article presents the methodology and results of experimental studies on the solubility of nitrogen in liquid Fe-V alloys. Tests were carried out using the levitation metal melting technique. Liquid alloys of Fe-V ([%V]{sub wt.%} 1.5; 2.5; 4,0; 5.8; 7.8; 12.2; 45%) were saturated with nitrogen at temperatures of 2073, 2173, 2273 K. The partial pressure of nitrogen was varied in the range 0.001-2.5 MPa. The experiment involved melting a 1 g specimen in an electromagnetic field generated by a levitation coil, filling the reaction chamber with nitrogen up to the required pressure and heating the specimen up to a preset temperature. High nitrogen concentrations were obtained in the samples due to the formation of high nitrogen partial pressures in the gaseous phase in the reaction chamber. In such conditions, all interactions of nitrogen in the alloy tested could be disclosed, namely: nitrogen-vanadium, nitrogen-nitrogen, and nitrogen-nitrogen-vanadium interactions. The results of the tests showed a nonlinear dependence of the activity coefficient, f{sub N}, not only on vanadium content in the alloy, but also on nitrogen content in it. Using the experimental data and the findings of the previous study on the liquid Fe-N alloy, temperature relationships of inter- and self-reaction parameters have been determined. (orig.)

  5. Raman Optical Activity and Raman Spectra of Amphetamine Species

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Shim, Irene; White, Peter Cyril

    2012-01-01

    Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT-molecular orbi......Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT...... are employed for identification purposes. The DFT calculations show that the most stable conformations are those allowing for close contact between the aromatic ring and the amine hydrogen atoms. The internal rotational barrier within the same amphetamine enanti- omer has a considerable influence on the Raman...

  6. Raman Optical Activity of Biological Molecules

    Science.gov (United States)

    Blanch, Ewan W.; Barron, Laurence D.

    Now an incisive probe of biomolecular structure, Raman optical activity (ROA) measures a small difference in Raman scattering from chiral molecules in right- and left-circularly polarized light. As ROA spectra measure vibrational optical activity, they contain highly informative band structures sensitive to the secondary and tertiary structures of proteins, nucleic acids, viruses and carbohydrates as well as the absolute configurations of small molecules. In this review we present a survey of recent studies on biomolecular structure and dynamics using ROA and also a discussion of future applications of this powerful new technique in biomedical research.

  7. Uric acid-derived Fe3C-containing mesoporous Fe/N/C composite with high activity for oxygen reduction reaction in alkaline medium

    Science.gov (United States)

    Ma, Jun; Xiao, Dejian; Chen, Chang Li; Luo, Qiaomei; Yu, Yue; Zhou, Junhao; Guo, Changding; Li, Kai; Ma, Jie; Zheng, Lirong; Zuo, Xia

    2018-02-01

    In this work, a category of Fe3C-containing Fe/N/C mesoporous material has been fabricated by carbonizing the mixture of uric acid, Iron (Ⅲ) chloride anhydrous and carbon support (XC-72) under different pyrolysis temperature. Of all these samples, pyrolysis temperature (800 °C) becomes the most crucial factor in forming Fe3C active sites which synergizes with high content of graphitic N to catalyze oxygen reduction reaction (ORR). X-ray absorption fine structure spectroscopy (XAFS) is used to exhibit that the space structure around Fe atoms in the catalyst. This kind of catalyst possesses comparable ORR properties with commercial 20% Pt/C (onset potential is 0 V vs. Ag/AgCl in 0.1 M KOH), the average transfer electron number is 3.84 reflecting the 4-electron process. Moreover, superior stability and methanol tolerance deserve to be mentioned.

  8. Surface enhanced Raman optical activity (SEROA)

    DEFF Research Database (Denmark)

    Abdali, Salim; Blanch, E.W.

    2008-01-01

    Raman optical activity (ROA) directly monitors the stereochemistry of chiral molecules and is now an incisive probe of biomolecular structure. ROA spectra contain a wealth of information on tertiary folding, secondary structure and even the orientation of individual residues in proteins and nucleic...

  9. Cross sections for the reactions 54Fe(n,α)51Cr, 54Fe(n,p)54Mn, and 56Fe(n,p)56Mn

    International Nuclear Information System (INIS)

    Paulsen, A.; Widera, R.; Arnotte, F.; Liskien, H.

    1979-01-01

    Ratios of cross sections for the reactions 54 Fe(n,α) 51 Cr, 54 Fe(n,p) 54 Mn, and 56 Fe(n,p) 56 Mn were measured by the activation technique. In the 6- to 10-MeV energy range, quasi-monoenergetic neutrons produced by the D(d,n) source reaction were used, while additional data were obtained between 12 and 17 MeV by use of the T(d,n) source reaction. The cross-section ratios have accuracies between 1.5 and 4.5%. 1 figure, 3 tables

  10. Resonance Raman Optical Activity and Surface Enhanced Resonance Raman Optical Activity analysis of Cytochrome C

    DEFF Research Database (Denmark)

    Johannessen, Christian; Abdali, Salim; White, Peter C.

    2007-01-01

    High quality Resonance Raman (RR) and resonance Raman Optical Activity (ROA) spectra of cytochrome c were obtained in order to perform full assignment of spectral features of the resonance ROA spectrum. The resonance ROA spectrum of cytochrome c revealed a distinct spectral signature pattern due...... to resonance enhanced skeletal porphyrin vibrations, more pronounced than any contribution from the protein back-bone. Combining the intrinsic resonance enhancement of cytochrome c with surface plasmon enhancement by colloidal silver particles, the Surface Enhanced Resonance Raman Scattering (SERRS) and Chiral...... Enhanced Raman Spectroscopy (ChERS) spectra of the protein were successfully obtained at very low concentration (as low as 1 µM). The assignment of spectral features was based on the information obtained from the RR and resonance ROA spectra. Excellent agreement between RR and SERRS spectra is reported...

  11. Vibrational Raman optical activity of ketose monosaccharides

    Science.gov (United States)

    Bell, Alasdair F.; Hecht, Lutz; Barron, Laurence D.

    1995-07-01

    The vibrational Raman optical activity (ROA) spectra of the four ketose sugars D-fructose, L-sorbose, D-tagatose and D-psicose in aqueous solution, which have been measured in backscattering in the range ≈250-1500 cm -1, are reported. These results are combined with those from a previous ROA study of aldose and pentose sugars in an attempt to establish new vibrational assignments and to verify old ones. The high information content of these spectra provides a new perspective on all the central features of monosaccharide stereochemistry including dominant anomeric configuration, ring conformation, exocyclic CH 2OH group conformation and relative disposition of the hydroxyl groups around the ring.

  12. Detection of biologically active diterpenoic acids by Raman Spectroscopy

    DEFF Research Database (Denmark)

    Talian, Ivan; Orinak, Andrej; Efremov, Evtim V.

    2010-01-01

    Three poorly detectable, biologically active diterpenoic acids, kaurenoic, abietic, and gibberellic acid, were studied by using different modes of Raman spectroscopy. Because of their structural similarities, in the absence of strongly polarizable groups, conventional Raman spectroscopy is not su......Three poorly detectable, biologically active diterpenoic acids, kaurenoic, abietic, and gibberellic acid, were studied by using different modes of Raman spectroscopy. Because of their structural similarities, in the absence of strongly polarizable groups, conventional Raman spectroscopy...... few enhanced Raman lines. SERS spectra with 514-nm excitation with Ag colloids were also relatively weak. The best SERS spectrawere obtained with 785-nm excitation on a novel nanostructured substrate, 'black silicon' coated with a 400-nm gold layer. The spectra showed clear differences...

  13. Raman optical activity of proteins and glycoproteins

    International Nuclear Information System (INIS)

    Smyth, E.

    2000-03-01

    Raman optical activity (ROA), measured in this project as a small difference in the intensity of Raman scattering from chiral molecules in right- and left-circularly polarised incident laser light, offers the potential to provide more information about the structure of biological molecules in aqueous solution than conventional spectroscopic techniques. Chapter one contains a general discussion of the relative merits of different spectroscopic techniques for structure determination of biomolecules, as well as a brief introduction to ROA. In Chapter two a theoretical analysis of ROA is developed, which extends the discussion in chapter one. The spectrometer setup and sample preparation is then discussed in chapter three. Instrument and sample conditions are monitored to ensure that the best results are obtained. As with any experimental project problems occur, which may result in a degradation of the spectra obtained. The cause of these problems was explored and remedied whenever possible. Chapter four introduces a brief account of protein, glycoprotein and carbohydrate structure and function, with a particular emphasis on the structure of proteins. In the remaining chapters experimental ROA results on proteins and glycoproteins, with some carbohydrate samples, from a wide range of sources are examined. For example, in chapter five some β-sheet proteins are examined. Structural features in these proteins are examined in the extended amide III region of their ROA spectra, revealing that ROA is sensitive to the rigidity or flexibility inherent in proteins. Chapter six concentrates on a group of proteins (usually glycoproteins) known as the serine proteinase inhibitors (serpins). Medically, the serpins are one of the most important groups of proteins of current interest, with wide-ranging implications in conditions such as Down's syndrome, Alzheimer's disease, and emphysema with associated cirrhosis of the liver. With favourable samples and conditions ROA may offer the

  14. Combined experimental and theoretical study on the Raman and Raman optical activity signatures of pentamethylundecane diastereoisomers.

    Science.gov (United States)

    Drooghaag, Xavier; Marchand-Brynaert, Jacqueline; Champagne, Benoît; Liégeois, Vincent

    2010-09-16

    The synthesis and the separation of the four stereoisomers of 2,4,6,8,10-pentamethylundecane (PMU) are described together with their characterization by Raman spectroscopy. In parallel, theoretical calculations of the Raman and vibrational Raman optical activity (VROA) spectra are reported and analyzed in relation with the recorded spectra. A very good agreement is found between the experimental and theoretical spectra. The Raman spectra are also shown to be less affected by the change of configuration than the VROA spectra. Nevertheless, by studying the overlap between the theoretical Raman spectra, we show clear relationships between the spectral fingerprints and the structures displaying a mixture of the TGTGTGTG conformation of the (4R,6s,8S)-PMU (isotactic compound) with the TTTTTTTT conformation of the (4R,6r,8S)-PMU (syndiotactic compound). Then, the fingerprints of the VROA spectra of the five conformers of the (4R,8R)-PMU have been related to the fingerprints of the regular (TG)(N) isotactic compound as a function of the torsion angles. Since the (TT)(N) syndiotactic compound has no VROA signatures, the VROA spectroscopy is very sensitive to the helical structures, as demonstrated here.

  15. Simulations and analysis of the Raman scattering and differential Raman scattering/Raman optical activity (ROA) spectra of amino acids, peptides and proteins in aqueous solution

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R. M.; Bohr, Jakob

    2000-01-01

    The Raman and Raman optical activity (ROA) spectra of amino acids and small peptides in aqueous solution have been simulated by density functional theory and restricted Hartree/Fock methods. The treatment of the aqueous environment in treated in two ways. The water molecules in the first hydratio...

  16. Quantitative analysis of sugar composition in honey using 532-nm excitation Raman and Raman optical activity spectra

    Czech Academy of Sciences Publication Activity Database

    Šugar, Jan; Bouř, Petr

    2016-01-01

    Roč. 47, č. 11 (2016), s. 1298-1303 ISSN 0377-0486 R&D Projects: GA ČR GA15-09072S Institutional support: RVO:61388963 Keywords : honey * sugar mixtures * spectral decompositions * Raman spectroscopy * Raman optical activity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.969, year: 2016

  17. Raman optical activity study on insulin amyloid- and prefibril intermediate

    Czech Academy of Sciences Publication Activity Database

    Yamamoto, Shigeki; Watarai, H.

    2012-01-01

    Roč. 24, č. 2 (2012), s. 97-103 ISSN 0899-0042 Institutional research plan: CEZ:AV0Z40550506 Keywords : raman optical activity * amyloid * fibril * intermediate * insulin Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.718, year: 2012

  18. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.

    Science.gov (United States)

    Danecek, Petr; Kapitán, Josef; Baumruk, Vladimír; Bednárová, Lucie; Kopecký, Vladimír; Bour, Petr

    2007-06-14

    The difference spectroscopy of the Raman optical activity (ROA) provides extended information about molecular structure. However, interpretation of the spectra is based on complex and often inaccurate simulations. Previously, the authors attempted to make the calculations more robust by including the solvent and exploring the role of molecular flexibility for alanine and proline zwitterions. In the current study, they analyze the IR, Raman, and ROA spectra of these molecules with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction (VCI), and degeneracy-corrected perturbation calculations. The harmonic approach appeared satisfactory for most of the lower-wavelength (200-1800 cm(-1)) vibrations. Modern generalized gradient approximation and hybrid density functionals, such as the common B3LYP method, provided a very good statistical agreement with the experiment. Although the inclusion of the anharmonic corrections still did not lead to complete agreement between the simulations and the experiment, occasional enhancements were achieved across the entire region of wave numbers. Not only the transitional frequencies of the C-H stretching modes were significantly improved but also Raman and ROA spectral profiles including N-H and C-H lower-frequency bending modes were more realistic after application of the VCI correction. A limited Boltzmann averaging for the lowest-frequency modes that could not be included directly in the anharmonic calculus provided a realistic inhomogeneous band broadening. The anharmonic parts of the intensity tensors (second dipole and polarizability derivatives) were found less important for the entire spectral profiles than the force field anharmonicities (third

  19. Diamagnetic Raman Optical Activity of Chlorine, Bromine, and Iodine Gases

    Czech Academy of Sciences Publication Activity Database

    Šebestík, Jaroslav; Kapitán, J.; Pačes, Ondřej; Bouř, Petr

    2016-01-01

    Roč. 55, č. 10 (2016), s. 3504-3508 ISSN 1433-7851 R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA14-00431S; GA ČR(CZ) GA16-05935S Institutional support: RVO:61388963 Keywords : angular momentum theory * diamagnetic molecules * excited electronic states * magnetic field * Raman optical activity Subject RIV: CC - Organic Chemistry Impact factor: 11.994, year: 2016

  20. Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra

    Czech Academy of Sciences Publication Activity Database

    Hopmann, K. H.; Ruud, K.; Pecul, M.; Kudelski, A.; Dračínský, Martin; Bouř, Petr

    2011-01-01

    Roč. 115, č. 14 (2011), s. 4128-4137 ISSN 1520-6106 R&D Projects: GA MŠk(CZ) LH11033; GA ČR GAP208/11/0105 Grant - others:AV ČR(CZ) M200550902 Institutional research plan: CEZ:AV0Z40550506 Keywords : raman optical activity * lactamide * solvent models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.696, year: 2011

  1. Novel Chiroptical Analysis of Hemoglobin by Surface Enhanced Resonance Raman Optical Activity Spectroscopy

    DEFF Research Database (Denmark)

    Brazhe, Nadezda; Brazhe, Alexey; Sosnovtseva, Olga

    2010-01-01

    The metalloprotein hemoglobin (Hb) was studied using surface enhanced resonance Raman spectroscopy (SERRS) and surface enhanced resonance Raman optical activity (SERROA). The SERROA results are analyzed and compared with the SERRS, and the later to the resonance Raman (RRS) performed on Hb...

  2. Transition polarizability model of induced resonance Raman optical activity

    Czech Academy of Sciences Publication Activity Database

    Yamamoto, S.; Bouř, Petr

    2013-01-01

    Roč. 34, č. 25 (2013), s. 2152-2158 ISSN 0192-8651 R&D Projects: GA ČR GAP208/11/0105; GA ČR GA13-03978S; GA MŠk(CZ) LH11033 Grant - others:AV ČR(CZ) M200551205 Institutional support: RVO:61388963 Keywords : induced resonance Raman optical activity * europium complexes * density functional computations * light scattering Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.601, year: 2013

  3. Activity, Performance, and Durability for the Reduction of Oxygen in PEM Fuel Cells, of Fe/N/C Electrocatalysts Obtained from the Pyrolysis of Metal-Organic-Framework and Iron Porphyrin Precursors

    International Nuclear Information System (INIS)

    Yang, Lijun; Larouche, Nicholas; Chenitz, Régis; Zhang, Gaixia; Lefèvre, Michel; Dodelet, Jean-Pol

    2015-01-01

    Graphical abstract: TOC After a first decay common to all electrocatalysts, only NC Por-0.8 -1150 Ar + NH3 shows an improvement in durability attributable to a decrease in water flooding its catalytic sites, particularly those located in micropores. - Abstract: Fe/N/C type catalysts have been produced by ballmilling ZIF-8 (a metal-organic-framework) and a chloroiron-tetramethoxyporphyrin (ClFeTMPP). The resulting material was first pyrolyzed in Ar at temperatures ranging from 850 to 1150 °C, then in NH 3 at 950 °C in order to produce two series of catalysts: the Ar and the Ar + NH 3 ones. They were labeled NC Por-x-T Ar or NC Por-x-T Ar + NH 3 , where x is the nominal Fe loading in wt% and T is the temperature of the first pyrolysis in Ar. At 80 °C in H 2 /O 2 fuel cell, the most active and performing catalyst is NC Por-0.8-1050 Ar + NH 3 . All NC Por-0.8-T Ar + NH 3 catalysts with T comprised between 850 and 1050 °C display the same instability behavior. The only catalyst showing an improvement in durability is NC Por-0.8-1150 Ar + NH 3 . It is proposed that the drastic change in durability upon increasing the first pyrolysis temperature, from 1050 to 1150 °C in Ar, is attributable to an important decrease in the heteroatom content (a drop of 32% for both N and O atoms) of the catalyst upon graphitization, reducing the hydrophilic character of its carbonaceous support and decreasing the possibility of water flooding its catalytic sites, particularly the sites located in micropores

  4. On the molecular basis of the activity of the antimalarial drug chloroquine: EXAFS-assisted DFT evidence of a direct Fe-N bond with free heme in solution

    Science.gov (United States)

    Macetti, Giovanni; Rizzato, Silvia; Beghi, Fabio; Silvestrini, Lucia; Lo Presti, Leonardo

    2016-02-01

    4-aminoquinoline antiplasmodials interfere with the biocrystallization of the malaria pigment, a key step of the malaria parasite metabolism. It is commonly believed that these drugs set stacking π···π interactions with the Fe-protoporphyrin scaffold of the free heme, even though the details of the heme:drug recognition process remain elusive. In this work, the local coordination of Fe(III) ions in acidic solutions of hematin at room temperature was investigated by extended x-ray absorption fine structure (EXAFS) spectroscopy in the 4.0-5.5 pH range, both in the presence and in the absence of the antimalarial drug chloroquine. EXAFS results were complemented by DFT simulations in polarizable continuum media to model solvent effects. We found evidence that a complex where the drug quinoline nitrogen is coordinated with the iron center might coexist with formerly proposed adduct geometries, based on stacking interactions. Charge-assisted hydrogen bonds among lateral chains of the two molecules play a crucial role in stabilizing this complex, whose formation is favored by the presence of lipid micelles. The direct Fe-N bond could reversibly block the axial position in the Fe 1st coordination shell in free heme, acting as an inhibitor for the crystallization of the malaria pigment without permanently hampering the catalytic activity of the redox center. These findings are discussed in the light of possible implications on the engineering of drugs able to thwart the adaptability of the malaria parasite against classical aminoquinoline-based therapies.

  5. Molecular structures of viruses from Raman optical activity

    DEFF Research Database (Denmark)

    Blanch, Ewan W.; Hecht, Lutz; Syme, Christopher D.

    2002-01-01

    A vibrational Raman optical activity (ROA) study of a range of different structural types of virus exemplified by filamentous bacteriophage fd, tobacco mosaic virus, satellite tobacco mosaic virus, bacteriophage MS2 and cowpea mosaic virus has revealed that, on account of its sensitivity to chira......A vibrational Raman optical activity (ROA) study of a range of different structural types of virus exemplified by filamentous bacteriophage fd, tobacco mosaic virus, satellite tobacco mosaic virus, bacteriophage MS2 and cowpea mosaic virus has revealed that, on account of its sensitivity...... (top component) of cowpea mosaic virus from those of the intact middle and bottom-upper components separated by means of a caesium chloride density gradient, the ROA spectrum of the viral RNA was obtained, which revealed that the RNA takes up an A-type single-stranded helical conformation...... and that the RNA conformations in the middle and bottom-upper components are very similar. This information is not available from the X-ray crystal structure of cowpea mosaic virus since no nucleic acid is visible....

  6. Conformational flexibility of L-alanine zwitterion determines shapes of Raman and Raman optical activity spectral bands

    Czech Academy of Sciences Publication Activity Database

    Kapitán, Josef; Baumruk, V.; Kopecký ml., V.; Bouř, Petr

    2006-01-01

    Roč. 110, č. 14 (2006), s. 4689-4696 ISSN 1089-5639 R&D Projects: GA ČR(CZ) GA203/06/0420 Institutional research plan: CEZ:AV0Z40550506 Keywords : Raman optical activity * molecular flexibility * alanine Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.047, year: 2006

  7. Porous carbon supported Fe-N-C composite as an efficient electrocatalyst for oxygen reduction reaction in alkaline and acidic media

    Science.gov (United States)

    Liu, Baichen; Huang, Binbin; Lin, Cheng; Ye, Jianshan; Ouyang, Liuzhang

    2017-07-01

    In recent years, non-precious metal electrocatalysts for oxygen reduction reaction (ORR) have attracted tremendous attention due to their high catalytic activity, long-term stability and excellent methanol tolerance. Herein, the porous carbon supported Fe-N-C catalysts for ORR were synthesized by direct pyrolysis of ferric chloride, 6-Chloropyridazin-3-amine and carbon black. Variation of pyrolysis temperature during the synthesis process leads to the difference in ORR catalytic activity. High pyrolysis temperature is beneficial to the formation of the "N-Fe" active sites and high electrical conductivity, but the excessive temperature will cause the decomposition of nitrogen-containing active sites, which are revealed by Raman, TGA and XPS. A series of synthesis and characterization experiments with/without nitrogen or iron in carbon black indicate that the coordination of iron and nitrogen plays a crucial role in achieving excellent ORR performances. Electrochemical test results show that the catalyst pyrolyzed at 800 °C (Fe-N-C-800) exhibits excellent ORR catalytic activity, better methanol tolerance and higher stability compared with commercial Pt/C catalyst in both alkaline and acidic conditions.

  8. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions

    Czech Academy of Sciences Publication Activity Database

    Daněček, Petr; Kapitán, Josef; Baumruk, V.; Bednárová, Lucie; Kopecký, V.; Bouř, Petr

    2007-01-01

    Roč. 126, č. 22 (2007), s. 224513-1 ISSN 0021-9606 R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702 Institutional research plan: CEZ:AV0Z40550506 Keywords : IR * Raman * ROA spectra * Anharmonic effects Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.044, year: 2007

  9. Anomalous superconducting spin-valve effect in NbN/FeN/Cu/FeN/FeMn multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Tae Jong; Kim, Dong Ho [Yeungnam University, Gyeongsan (Korea, Republic of)

    2017-09-15

    We have studied magnetic and transport properties of NbN/FeN/Cu/FeN/FeMn spin-valve structure. In-plane magnetic moment exhibited typical hysteresis loops of spin valves in the normal state of NbN film at 20 K. On the other hand, the magnetic hysteresis loop in the superconducting state exhibited more complex behavior in which exchange bias provided by antiferrmagnetic FeMn layer to adjacent FeN layer was disturbed by superconductivity. Because of this, the ideal superconducting spin-valve effect was not detected. Instead the stray field originated from unsaturated magnetic states dominated the transport properties of NbN/FeN/Cu/FeN/FeMn multilayer.

  10. Ancient Chemistry "Pharaoh's Snakes" for Efficient Fe-/N-Doped Carbon Electrocatalysts.

    Science.gov (United States)

    Ren, Guangyuan; Gao, Liangliang; Teng, Chao; Li, Yunan; Yang, Hequn; Shui, Jianglan; Lu, Xianyong; Zhu, Ying; Dai, Liming

    2018-04-04

    The method of fabricating nonprecious metal electrocatalysts with high activity and durability through a facile and eco-friendly procedure is of great significance to the development of low-cost fuel cells and metal-air batteries. Herein, we present that an ancient chemical reaction of "Pharaoh's snakes" can be a fast and convenient technique to prepare Fe-/N-doped carbon (Fe/N-C) nanosheet/nanotube electrocatalysts with sugar, soda, melamine, and iron nitrate as precursors. The resultant Fe/N-C catalyst has a hierarchically porous structure, a large surface area, and uniformly distributed active sites. The catalyst shows high electrocatalytic activities toward both the oxygen reduction reaction with a half-wave potential of 0.90 V (vs reversible hydrogen electrode) better than that of Pt/C and the oxygen evolution reaction with an overpotential of 0.46 V at the current density of 10 mA cm -2 comparable to that of RuO 2 . The activity and stability of the catalyst are also evaluated in primary and rechargeable Zn-air batteries. In both conditions, three-dimensional Fe/N-C exhibited performances superior to Pt/C. Our work demonstrates a success of utilizing an ancient science to make a state-of-the-art electrocatalyst.

  11. Single Molecule Instrument for Surface Enhanced Raman Optical Activity of Biomolecules, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Stereochemistry is an essential element of our organic life. Only certain enantiomers are useful as drugs for the human body. Raman optical activity (ROA) provides...

  12. Single Molecule Instrument for Surface Enhanced Raman Optical Activity of Biomolecules, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Stereochemistry is an essential element of our organic life. Only certain enantiomers are useful as drugs for the human body. Raman Optical Activity (ROA) and...

  13. Raman spectroscopy applied to identify metabolites in urine of physically active subjects.

    Science.gov (United States)

    Moreira, Letícia Parada; Silveira, Landulfo; da Silva, Alexandre Galvão; Fernandes, Adriana Barrinha; Pacheco, Marcos Tadeu Tavares; Rocco, Débora Dias Ferraretto Moura

    2017-11-01

    Raman spectroscopy is a rapid and non-destructive technique suitable for biological fluids analysis. In this work, dispersive Raman spectroscopy has been employed as a rapid and nondestructive technique to detect the metabolites in urine of physically active subjects before and after vigorous 30min pedaling or running compared to sedentary subjects. For so, urine samples from 9 subjects were obtained before and immediately after physical activities and submitted to Raman spectroscopy (830nm excitation, 250mW laser power, 20s integration time) and compared to urine from 5 sedentary subjects. The Raman spectra of urine from sedentary showed peaks related to urea, creatinine, ketone bodies, phosphate and other nitrogenous compounds. These metabolic biomarkers presented peaks with different intensities in the urine of physically active individuals after exercises compared to before, measured by the intensity of selected peaks the Raman spectra, which means different concentrations after training. These peaks presented different intensity values for each subject before physical activity, also behaving differently compared to the post-training: some subjects presented increase while others decrease the intensity. Raman spectroscopy may allow the development of a rapid and non-destructive test for metabolic evaluation of the physical training in active and trained subjects using urine samples, allowing nutrition adjustment with the sport's performance. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. VIBRATIONAL RAMAN OPTICAL-ACTIVITY CALCULATIONS USING LONDON ATOMIC ORBITALS

    DEFF Research Database (Denmark)

    Helgaker, T.; Ruud, K.; Bak, Keld L.

    1994-01-01

    Ab initio calculations of Raman differential intensities are presented at the self-consistent field (SCF) level of theory. The electric dipole-electric dipole, electric dipole-magnetic dipole and electric dipole-electric quadrupole polarizability tensors are calculated at the frequency of the inc...

  15. The Solid-Phase Synthesis of an Fe-N-C Electrocatalyst for High-Power Proton-Exchange Membrane Fuel Cells.

    Science.gov (United States)

    Liu, Qingtao; Liu, Xiaofang; Zheng, Lirong; Shui, Jianglan

    2018-01-26

    The environmentally friendly synthesis of highly active Fe-N-C electrocatalysts for proton-exchange membrane fuel cells (PEMFCs) is desirable but remains challenging. A simple and scalable method is presented to fabricate Fe II -doped ZIF-8, which can be further pyrolyzed into Fe-N-C with 3 wt % of Fe exclusively in Fe-N 4 active moieties. Significantly, this Fe-N-C derived acidic PEMFC exhibits an unprecedented current density of 1.65 A cm -2 at 0.6 V and the highest power density of 1.14 W cm -2 compared with previously reported NPMCs. The excellent PEMFC performance can be attributed to the densely and atomically dispersed Fe-N 4 active moieties on the small and uniform catalyst nanoparticles. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Fe-N-C catalyst modified graphene sponge as a cathode material for lithium-oxygen battery

    International Nuclear Information System (INIS)

    Yu, Ling; Shen, Yue; Huang, Yunhui

    2014-01-01

    Highlights: • Hydrothermally-synthesized graphene sponge is excellent skeleton of Li-O 2 cathode. • Fe-N-C catalyst loaded on GS was attained via pyrolysis of FePc and GS composites. • High capacity and good cyclability were achieved with Fe-N-GS air electrode. • The synergy of porous structure and catalytic activity leads to the high performance. - Abstract: The cathode of a lithium-oxygen battery needs the synergism of a porous conducting material and a catalyst to facilitate the formation and decomposition of lithium peroxide. Here we introduce a graphene sponge (GS) modified with Fe-N-C catalyst for the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER). The porous, 3-dimensional conductive and free standing nature of the graphene sponge makes it become excellent skeleton of cathode for lithium-oxygen battery. The Fe-N-C catalyst nanoparticles dispersed uniformly on the graphene sheets show excellent catalytic reactivity in both discharge and charge processes. This kind of composite material greatly improves the capacity and cyclability of the lithium-oxygen battery. With dimethyl sulphoxide as electrolyte, the capacity reaches 6762 mAh g −1 which is twice of the pure graphene sponge. In addition, the cell containing Fe-N-GS air electrode exhibits stable cyclic performance and effective reduction of charge potential plateau, indicating that Fe-N-GS is promising as an OER catalyst in rechargeable lithium-air batteries

  17. Solution structures of potato virus X and narcissus mosaic virus from Raman optical activity

    DEFF Research Database (Denmark)

    Blanch, Ewan W.; Robinson, David J.; Hecht, Lutz

    2002-01-01

    Potato virus X (PVX) and narcissus mosaic virus (NMV) were studied using vibrational Raman optical activity (ROA) in order to obtain new information on the structures of their coat protein subunits. The ROA spectra of the two intact virions are very similar to each other and similar to that of to......Potato virus X (PVX) and narcissus mosaic virus (NMV) were studied using vibrational Raman optical activity (ROA) in order to obtain new information on the structures of their coat protein subunits. The ROA spectra of the two intact virions are very similar to each other and similar...

  18. Using Deep UV Raman Spectroscopy to Identify In Situ Microbial Activity

    Science.gov (United States)

    Sapers, H. M.; Wanger, G.; Amend, J.; Orphan, V. J.; Bhartia, R.

    2017-12-01

    Microbial communities living in close association with lithic substrates play a critical role in biogeochemical cycles. Understanding the interactions between microorganisms and their abiotic substrates requires knowledge of microbial activity. Identifying active cells adhered to complex environmental substrates, especially in low biomass systems, remains a challenge. Stable isotope probing (SIP) provides a means to trace microbial activity in environmental systems. Active members of the community take up labeled substrates and incorporate the labels into biomolecules that can be detected through downstream analyses. Here we show for the first time that Deep UV (248 nm) Raman spectroscopy can differentiate microbial cells labeled with stable isotopes. Previous studies have used Raman spectroscopy with a 532 nm source to identify active bacterial cells by measuring a Raman shift between peaks corresponding to amino acids incorporating 13C compared to controls. However, excitation at 532 nm precludes detection on complex substrates due to high autofluorescence of native minerals. Excitation in the DUV range offers non-destructive imaging on mineral surfaces - retaining critical contextual information. We prepared cultures of E. coli grown in 50 atom% 13C glucose spotted onto Al wafers to test the ability of DUV Raman spectroscopy to differentiate labeled and unlabeled cells. For the first time, we are able to demonstrate a distinct and repeatable shift between cells grown in labeled media and unlabeled media when imaged on Al wafers with DUV Raman spectroscopy. The Raman spectra are dominated by the characteristic Raman bands of guanine. The dominant marker peak for guanine attributed to N7-C8 and C8-N9 ring stretching and C8-H in-plane bending, is visible at 1480 cm-1 in the unlabeled cells and is blue-shifted by 20 wavenumbers to 1461 cm-1 in the labeled cells. The ability of DUV Raman to effectively identify regions containing cells that have incorporated isotopic

  19. Raman active high energy excitations in URu{sub 2}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Buhot, Jonathan [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); High Field Magnet Laboratory (HFML - EMFL), Institute for Molecules and Materials, Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands); Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); Piekarz, Przemysław [Institute of Nuclear Physics, Polish Academy of Sciences, 31-342 Krakòw (Poland); Lapertot, Gérard [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Aoki, Dai [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Méasson, Marie-Aude, E-mail: marie-aude.measson@univ-paris-diderot.fr [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France)

    2017-02-01

    We have performed Raman scattering measurements on URu{sub 2}Si{sub 2} single crystals on a large energy range up to ∼1300 cm{sup −1} and in all the Raman active symmetries as a function of temperature down to 15 K. A large excitation, active only in the E{sub g} symmetry, is reported. It has been assigned to a crystal electric field excitation on the Uranium site. We discuss how this constrains the crystal electric field scheme of the Uranium ions. Furthermore, three excitations in the A{sub 1g} symmetry are observed. They have been associated to double Raman phonon processes consistently with ab initio calculations of the phonons dispersion.

  20. Fe-N{sub x}/C assisted chemical–mechanical polishing for improving the removal rate of sapphire

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Li, E-mail: xl0522@126.com [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shenzhen Key Laboratory of Micro/Nano Manufacturing, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China); Zou, Chunli; Shi, Xiaolei [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shenzhen Key Laboratory of Micro/Nano Manufacturing, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China); Pan, Guoshun, E-mail: pangs@tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shenzhen Key Laboratory of Micro/Nano Manufacturing, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China); Luo, Guihai; Zhou, Yan [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Shenzhen Key Laboratory of Micro/Nano Manufacturing, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China)

    2015-07-15

    Highlights: • A novel non-noble metal catalyst (Fe-N{sub x}/C) was prepared. • Fe-N{sub x}/C shows remarkable catalytic activity for improving the removal rate of sapphire in alkaline solution. • The optimum CMP removal by Fe-N{sub x}/C yielded a superior surface finish of 0.078 nm the average roughness. • Fe{sub 2}O{sub 3}, Fe{sub 3}O{sub 4}, pyridinic N as well as pyrrolic N group possibly serving as the catalytic sites. • A soft hydration layer (boehmite, AlO(OH)) was generated on the surface of sapphire during CMP process. - Abstract: In this paper, a novel non-noble metal catalyst (Fe-N{sub x}/C) is used to improve the removal mass of sapphire as well as obtain atomically smooth sapphire wafer surfaces. The results indicate that Fe-N{sub x}/C shows good catalytic activity towards sapphire removal rate. And the material removal rates (MRRs) are found to vary with the catalyst content in the polishing fluid. Especially that when the polishing slurry mixes with 16 ppm Fe-N{sub x}/C shows the maximum MRR and its removal mass of sapphire is 38.43 nm/min, more than 15.44% larger than traditional CMP using the colloidal silicon dioxide (SiO{sub 2}) without Fe-N{sub x}/C. Catalyst-assisted chemical–mechanical polishing of sapphire is studied with X-ray photoelectron spectroscopy (XPS). It is found that the formation of a soft hydration layer (boehmite, γ-AlOOH or γ-AlO(OH)) on sapphire surface facilitates the material removal and achieving fine surface finish on basal plane. Abrasives (colloid silica together with magnetite, ingredient of Fe-N{sub x}/C) with a hardness between boehmite and sapphire polish the c-plane of sapphire with good surface finish and efficient removal. Fe{sub 2}O{sub 3}, Fe{sub 3}O{sub 4}, pyridinic N as well as pyrrolic N group would be the catalytical active sites and accelerate this process. Surface quality is characterized with atomic force microscopy (AFM). The optimum CMP removal by Fe-N{sub x}/C also yields a superior

  1. The Raman and vibronic activity of intermolecular vibrations in aromatic-containing complexes and clusters

    International Nuclear Information System (INIS)

    Maxton, P.M.; Schaeffer, M.W.; Ohline, S.M.; Kim, W.; Venturo, V.A.; Felker, P.M.

    1994-01-01

    Theoretical and experimental results pertaining to the excitation of intermolecular vibrations in the Raman and vibronic spectra of aromatic-containing, weakly bound complexes and clusters are reported. The theoretical analysis of intermolecular Raman activity is based on the assumption that the polarizability tensor of a weakly bound species is given by the sum of the polarizability tensors of its constituent monomers. The analysis shows that the van der Waals bending fundamentals in aromatic--rare gas complexes may be expected to be strongly Raman active. More generally, it predicts strong Raman activity for intermolecular vibrations that involve the libration or internal rotation of monomer moieties having appreciable permanent polarizability anisotropies. The vibronic activity of intermolecular vibrations in aromatic-rare gas complexes is analyzed under the assumption that every vibronic band gains its strength from an aromatic-localized transition. It is found that intermolecular vibrational excitations can accompany aromatic-localized vibronic excitations by the usual Franck--Condon mechanism or by a mechanism dependent on the librational amplitude of the aromatic moiety during the course of the pertinent intermolecular vibration. The latter mechanism can impart appreciable intensity to bands that are forbidden by rigid-molecule symmetry selection rules. The applicability of such rules is therefore called into question. Finally, experimental spectra of intermolecular transitions, obtained by mass-selective, ionization-detected stimulated Raman spectroscopies, are reported for benzene--X (X=Ar, --Ar 2 , N 2 , HCl, CO 2 , and --fluorene), fluorobenzene--Ar and --Kr, aniline--Ar, and fluorene--Ar and --Ar 2 . The results support the conclusions of the theoretical analyses and provide further evidence for the value of Raman methods in characterizing intermolecular vibrational level structures

  2. Photooxidative desulfurization for diesel using Fe / N - TiO2 photocatalyst

    Science.gov (United States)

    Khan, Muhammad Saqib; Kait, Chong Fai; Mutalib, Mohd Ibrahim Abdul

    2014-10-01

    A series of N - TiO2 with different mol% N was synthesized via sol-gel method and characterized using thermal gravimetric analyzer and raman spectroscopy. 0.2 wt% Fe was incorporated onto the calcined (200°C) N - TiO2 followed by calcination at 200°C, 250°C and 300°C. Photooxidative desulfurization was conducted in the presence of 0.2wt% Fe / N - TiO2 with different mol% N with and without oxidant (H2O2). Oxidative desulfurization was only achieved when H2O2 was used while without H2O2 no major effect on the sulfur removal. 0.2Fe -30N - H2O2 photocatalysts showed best performance at all calcination temperatures as compared to other mol% N - H2O2 photocatalysts. 16.45% sulfur removal was achieved using photocatalysts calcined at 300 °C.

  3. Diode pumped actively Q-switched Nd:YVO4 self-Raman laser

    International Nuclear Information System (INIS)

    Su Fufang; Zhang Xingyu; Wang Qingpu; Ding Shuanghong; Jia Peng; Li Shutao; Fan Shuzhen; Zhang Chen; Liu Bo

    2006-01-01

    By using Nd:YVO 4 as the gain medium and the Raman medium simultaneously, the actively Q-switched operation of the self-Raman Nd:YVO 4 laser at 1176 nm was realized. The output characteristics including the average power, pulse energy and pulse width versus the incident pump power and pulse repetition rate were investigated. At a pulse repetition rate of 20 kHz an average power up to 0.57 W was obtained with the incident pump power of 10.2 W, corresponding to a conversion efficiency of 5.6% with respect to the diode laser input power. Meanwhile, an analysis of the self-Raman Nd:YVO 4 laser was carried out by using the rate equations. The obtained theoretical results were in agreement with the experimental results on the whole

  4. Theoretical study of the Raman active CDW gap mode in manganites

    International Nuclear Information System (INIS)

    Rout, G C; Panda, Saswati; Behera, S N

    2010-01-01

    We report here the microscopic theory of the Raman spectra of the colossal magnetoresistive (CMR) manganite systems. The system is described by a model Hamiltonian consisting of the double exchange interaction in addition to the charge ordering interaction in the e g band and spin-spin interaction among the t 2g core electrons. Further the phonon coupling to the conduction electron density is incorporated in the model for phonons in the harmonic approximation. The spectral density function for the Raman spectra is calculated from the imaginary part of the phonon Green's function. The calculated spectra display the Raman active bare phonon peak along with the charge ordering peak. The magnetic field and temperature dependence of the charge ordering peak agrees with the 480 cm -1 JT mode observed in the experiments. The evolution of this mode is investigated in the report.

  5. Monitoring of zwitterionic proline and alanine conformational space by raman optical activity

    Czech Academy of Sciences Publication Activity Database

    Kapitán, Josef; Bouř, Petr; Baumruk, V.

    2005-01-01

    Roč. 12, č. 1 (2005), s. 30 ISSN 1211-5894. [Meeting of Structural Biologists /4./. 10.03.2005-21.03.2005, Nové Hrady] Institutional research plan: CEZ:AV0Z40550506 Keywords : proline * Raman optical activity Subject RIV: CF - Physical ; Theoretical Chemistry

  6. Detection of Molecular Chirality by Induced Resonance Raman Optical Activity in Europium Complexes

    Czech Academy of Sciences Publication Activity Database

    Yamamoto, Shigeki; Bouř, Petr

    2012-01-01

    Roč. 51, č. 44 (2012), s. 11058-11061 ISSN 1433-7851 R&D Projects: GA MŠk(CZ) LH11033; GA ČR GAP208/11/0105 Institutional support: RVO:61388963 Keywords : europium * complexes * raman optical activity * resonance Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.734, year: 2012

  7. Free energy landscape of electrocatalytic CO2 reduction to CO on aqueous FeN4 center embedded graphene studied by ab initio molecular dynamics simulations

    Science.gov (United States)

    Sheng, Tian; Sun, Shi-Gang

    2017-11-01

    Experiments have found that the porphyrin-like FeN4 site in Fe-N-C materials is highly efficient for the electrochemical reduction of CO2 into CO. In this work, we investigated the reduction mechanisms on FeN4 embedded graphene layer catalyst with some explicit water molecules by combining the constrained ab initio molecular dynamics simulations and thermodynamic integrations. The reaction free energy and electron transfer in each elementary step were identified. The initial CO2 activation was identified to go through the first electron transfer to form adsorbed CO2- anion and the CO desorption was the rate limiting step in the overall catalytic cycle.

  8. Immunity of the Fe-N-C catalysts to electrolyte adsorption: phosphate but not perchloric anions

    DEFF Research Database (Denmark)

    Hu, Yang; Jensen, Jens Oluf; Pan, Chao

    2018-01-01

    often carried out, like for Pt-based catalysts, in dilute perchloric acid by assuming its non-adsorbing nature on the active sites. The assumption is however not true. In this work, a typical Fe-N-C catalyst was first synthesized by high-pressure pyrolysis in the presence of carbon support...... and thoroughly characterized in terms of morphology, structure and active site distribution. The subsequent electrochemical characterization of the catalyst shows strong adsorption and poisoning effect of, in addition to the known Cl-, perchloric anions on the oxygen reduction reaction (ORR) activity...

  9. Polymorph characterization of active pharmaceutical ingredients (APIs) using low-frequency Raman spectroscopy.

    Science.gov (United States)

    Larkin, Peter J; Dabros, Marta; Sarsfield, Beth; Chan, Eric; Carriere, James T; Smith, Brian C

    2014-01-01

    Polymorph detection, identification, and quantitation in crystalline materials are of great importance to the pharmaceutical industry. Vibrational spectroscopic techniques used for this purpose include Fourier transform mid-infrared (FT-MIR) spectroscopy, Fourier transform near-infrared (FT-NIR) spectroscopy, Raman spectroscopy, and terahertz (THz) and far-infrared (FIR) spectroscopy. Typically, the fundamental molecular vibrations accessed using high-frequency Raman and MIR spectroscopy or the overtone and combination of bands in the NIR spectra are used to monitor the solid-state forms of active pharmaceutical ingredients (APIs). The local environmental sensitivity of the fundamental molecular vibrations provides an indirect probe of the long-range order in molecular crystals. However, low-frequency vibrational spectroscopy provides access to the lattice vibrations of molecular crystals and, hence, has the potential to more directly probe intermolecular interactions in the solid state. Recent advances in filter technology enable high-quality, low-frequency Raman spectra to be acquired using a single-stage spectrograph. This innovation enables the cost-effective collection of high-quality Raman spectra in the 200-10 cm(-1) region. In this study, we demonstrate the potential of low-frequency Raman spectroscopy for the polymorphic characterization of APIs. This approach provides several benefits over existing techniques, including ease of sampling and more intense, information-rich band structures that can potentially discriminate among crystalline forms. An improved understanding of the relationship between the crystalline structure and the low-frequency vibrational spectrum is needed for the more widespread use of the technique.

  10. Four-Wave Optical Parametric Amplification in a Raman-Active Gas

    Directory of Open Access Journals (Sweden)

    Yuichiro Kida

    2015-08-01

    Full Text Available Four-wave optical parametric amplification (FWOPA in a Raman-active medium is experimentally investigated by use of an air-filled hollow fiber. A femtosecond pump pulse shorter than the period of molecular motion excites the coherent molecular motion of the Raman-active molecules during the parametric amplification of a signal pulse. The excited coherent motion modulates the frequency of the signal pulse during the parametric amplification, and shifts it to lower frequencies. The magnitude of the frequency redshift depends on the pump intensity, resulting in intensity-dependent spectral characteristics that are different from those in the FWOPA induced in a noble-gas-filled hollow fiber.

  11. Ramachandran Plot for Alanine Dipeptide as Determined from Raman Optical Activity

    Czech Academy of Sciences Publication Activity Database

    Parchaňský, Václav; Kapitán, J.; Kaminský, Jakub; Šebestík, Jaroslav; Bouř, Petr

    2013-01-01

    Roč. 4, č. 16 (2013), s. 2763-2768 ISSN 1948-7185 R&D Projects: GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Grant - others:AV ČR(CZ) M200551205; GA MŠk(CZ) LM2010005 Institutional support: RVO:61388963 Keywords : Raman optical activity * Ramachandran plot * molecular modelling Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.687, year: 2013

  12. Probing edge-activated resonant Raman scattering from mechanically exfoliated 2D MoO3 nanolayers

    International Nuclear Information System (INIS)

    Yano, Taka-aki; Yoshida, Keisuke; Hayashi, Tomohiro; Hara, Masahiko; Hayamizu, Yuhei; Ohuchi, Fumio

    2015-01-01

    We report spatially resolved vibrational analysis of mechanically exfoliated single-crystalline α-MoO 3 nanolayers. Raman scattering from α-MoO 3 was enhanced predominantly at the outside edges of the nanolayers. The enhanced Raman scattering at the edges was attributed primarily to the enhanced resonant Raman effect caused by a high density of oxygen vacancies localized at the edges. The localized vacancy sites corresponded to a non-stoichiometric phase of MoO 3 , which would provide reactive sites with high catalytic activity. (paper)

  13. Circular dichroism and Raman optical activity in antiferromagnetic transition metal fluorides

    International Nuclear Information System (INIS)

    Hoffman, K.R.; Lockwood, D.J.; Yen, W.M.

    2005-01-01

    The Raman optical activity (ROA) of magnons in rutile-structure antiferromagnetic FeF 2 (T N = 78 K) has been studied as a function of temperature and applied magnetic field. For exciting light incident along the c axis, ROA is observed for magnons but not for phonons. In zero field, a small splitting (0.09 cm -1 ) of the two acoustic-magnon branches is observed for the first time by inelastic light scattering. The splitting in applied magnetic field is found to reduce with increasing temperature in accordance with theory. No ROA was detected for two-magnon excitations. In optical absorption measurements performed over thirty years ago, a very small circular dichroism (CD) was observed in the magnon sidebands of other simple rutile antiferromagnetic fluorides (MnF 2 and CoF 2 ). The origin of this CD was not understood at the time. The Raman studies of the one-magnon Raman scattering in FeF 2 have demonstrated that in zero field the degeneracy of the antiferromagnetic magnon branches is lifted by a weak magnetic dipole-dipole interaction, as predicted by Pincus and Loudon and by White four decades ago. The source of the observed CD in the magnon sidebands can now be traced to this same magnetic-dipole induced splitting

  14. Study of the cell activity in three-dimensional cell culture by using Raman spectroscopy

    Science.gov (United States)

    Arunngam, Pakajiraporn; Mahardika, Anggara; Hiroko, Matsuyoshi; Andriana, Bibin Bintang; Tabata, Yasuhiko; Sato, Hidetoshi

    2018-02-01

    The purpose of this study is to develop a estimation technique of local cell activity in cultured 3D cell aggregate with gelatin hydrogel microspheres by using Raman spectroscopy. It is an invaluable technique allowing real-time, nondestructive, and invasive measurement. Cells in body generally exist in 3D structure, which physiological cell-cell interaction enhances cell survival and biological functions. Although a 3D cell aggregate is a good model of the cells in living tissues, it was difficult to estimate their physiological conditions because there is no effective technique to make observation of intact cells in the 3D structure. In this study, cell aggregates were formed by MC3T-E1 (pre-osteoblast) cells and gelatin hydrogel microspheres. In appropriate condition MC3T-E1 cells can differentiate into osteoblast. We assume that the activity of the cell would be different according to the location in the aggregate because the cells near the surface of the aggregate have more access to oxygen and nutrient. Raman imaging technique was applied to measure 3D image of the aggregate. The concentration of the hydroxyapatite (HA) is generated by osteoblast was estimated with a strong band at 950-970 cm-1 which assigned to PO43- in HA. It reflects an activity of the specific site in the cell aggregate. The cell density in this specific site was analyzed by multivariate analysis of the 3D Raman image. Hence, the ratio between intensity and cell density in the site represents the cell activity.

  15. Highly reproducible surface-enhanced Raman scattering-active Au nanostructures prepared by simple electrodeposition: origin of surface-enhanced Raman scattering activity and applications as electrochemical substrates.

    Science.gov (United States)

    Choi, Suhee; Ahn, Miri; Kim, Jongwon

    2013-05-24

    The fabrication of effective surface-enhanced Raman scattering (SERS) substrates has been the subject of intensive research because of their useful applications. In this paper, dendritic gold (Au) rod (DAR) structures prepared by simple one-step electrodeposition in a short time were examined as an effective SERS-active substrate. The SERS activity of the DAR surfaces was compared to that of other nanostructured Au surfaces with different morphologies, and its dependence on the structural variation of DAR structures was examined. These comparisonal investigations revealed that highly faceted sharp edge sites present on the DAR surfaces play a critical role in inducing a high SERS activity. The SERS enhancement factor was estimated to be greater than 10(5), and the detection limit of rhodamine 6G at DAR surfaces was 10(-8)M. The DAR surfaces exhibit excellent spot-to-spot and substrate-to-substrate SERS enhancement reproducibility, and their long-term stability is very good. It was also demonstrated that the DAR surfaces can be effectively utilized in electrochemical SERS systems, wherein a reversible SERS behavior was obtained during the cycling to cathodic potential regions. Considering the straightforward preparation of DAR substrates and the clean nature of SERS-active Au surfaces prepared in the absence of additives, we expect that DAR surfaces can be used as cost-effective SERS substrates in analytical and electrochemical applications. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. New insight into the solution structures of wheat gluten proteins from Raman optical activity

    DEFF Research Database (Denmark)

    Blanch, E.W.; Kasarda, D.D.; Hecht, L.

    2003-01-01

    Vibrational Raman optical activity (ROA) spectra of the wheat proteins a-gliadin (A-gliadin), omega-liadin, and a 30 kDa peptide called T-A-1 from the high molecular weight glutenin subunit (HMW-GS) Dx5 were measured to obtain new information about their solution structures. The spectral data show...... that, under the conditions investigated, A-gliadin contains a considerable amount of hydrated alpha-helix, most of which probably lies within a relatively structured C-terminal domain. Smaller quantities of beta-structure and poly(L-proline) II (PPII) helix were also identified. Addition of methanol...

  17. Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide

    Czech Academy of Sciences Publication Activity Database

    Hudecová, J.; Kapitán, Josef; Baumruk, V.; Hammer, R. P.; Keiderling, T. A.; Bouř, Petr

    2010-01-01

    Roč. 114, č. 28 (2010), s. 7642-7651 ISSN 1089-5639 R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702 Grant - others:GA UK(CZ) 126310 Institutional research plan: CEZ:AV0Z40550506 Keywords : Raman optical activity * ab initio * side chain * flexibility * peptide Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

  18. Simulation of Raman optical activity of multi-component monosaccharide samples

    Czech Academy of Sciences Publication Activity Database

    Melcrová, Adéla; Kessler, Jiří; Bouř, Petr; Kaminský, Jakub

    2016-01-01

    Roč. 18, č. 3 (2016), s. 2130-2142 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA14-03564S; GA ČR GA15-09072S; GA ČR(CZ) GA16-00270S; GA ČR GA13-03978S Grant - others:GA MŠk(CZ) LM2010005 Institutional support: RVO:61388955 ; RVO:61388963 Keywords : NORMAL-MODE OPTIMIZATION * VIBRATIONAL RAMAN * ACTIVITY SPECTRA Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.123, year: 2016

  19. High surface enhanced Raman scattering activity of BN nanosheets–Ag nanoparticles hybrids

    International Nuclear Information System (INIS)

    Yang, Shanshan; Zhang, Zhaochun; Zhao, Jun; Zheng, Houli

    2014-01-01

    Highlights: • Boron nitride–silver nanohybrid was acquired through a liquid-phase reducing route. • The composite shown a high-quality SERS activity. • 2-Mercaptobenzimidazole was chemisorbed on silver surface in vertical orientation. -- Abstract: A facile liquid-phase reducing route was developed to modify boron nitride (BN) nanosheets with silver nanoparticles (AgNPs) in order to fabricate BN–AgNPs hybrids with high surface enhanced Raman scattering (SERS) activity. The layered structure and morphology of BN–AgNPs nanohybrids were characterized by transmission electron microscopy and atomic force microscopy, meanwhile, Fourier transform infrared spectroscopy and ultraviolet–visible were used for studying optical properties and surface plasmon resonance applied to the optical sensor. The SERS of adsorbed 2-mercaptobenzimidazole (MBI) molecule was investigated which shown that the BN–AgNPs substrate exhibited a very strong SERS activity, offering a great potential application in molecular probe sensor. On the basis of the analysis of SERS and the Raman surface selection rules, we could draw a conclusion that the MBI molecule was adsorbed upright on the AgNPs surface through the sulphur and nitrogen atoms. What is more, the cyclic voltammetry experiment indicated the electrochemically irreversible behavior of BN–AgNPs nanohybrids in KCl solution

  20. Synthesis of 2.5 nm colloidal iridium nanoparticles with strong surface enhanced Raman scattering activity

    International Nuclear Information System (INIS)

    Cui, Malin; Zhao, Yuan; Wang, Chan; Song, Qijun

    2016-01-01

    Colloidal iridium nanoparticles (IrNPs) were synthesized through an environmentally friendly approach by using trisodium citrate as the capping molecule in an aqueous medium. The resulting colloidal IrNPs have a typical diameter of 2.5 nm and display absorption bands at 250, 400 and 600 nm. They possess uniform morphology, good dispersibility, excellent stability in water, and exhibit strong surface enhanced Raman scattering (SERS) activity with an enhancement factor (EF) of 3.5 × 10 5 at the 1512 cm -1 peak when using Rhodamine 6G as the probe molecule. The excellent SERS performance of the IrNPs was exemplarily applied to the determination of the industrial colorant Sudan Red I. The peak intensity of the Raman band at 1236 cm -1 is linearly related to the concentration of Sudan Red I which can be determined by SERS in the 2 nM to 8 μM concentration range with a limit of detection as low as 0.6 nM. In our perception, this strong SERS activity of the IrNPs has a large potential in the SERS-based quantitation of various chemical substances. (author)

  1. Analysis of low active-pharmaceutical-ingredient signal drugs based on thin layer chromatography and surface-enhanced Raman spectroscopy.

    Science.gov (United States)

    Li, Xiao; Chen, Hui; Zhu, Qingxia; Liu, Yan; Lu, Feng

    2016-11-30

    Active pharmaceutical ingredients (API) embedded in the excipients of the formula can usually be unravelled by normal Raman spectroscopy (NRS). However, more and more drugs with low API content and/or low Raman scattering coefficient were insensitive to NRS analysis, which was for the first time defined as Low API-Signal Drugs (LASIDs) in this paper. The NRS spectra of these LASIDs were similar to their dominant excipients' profiles, such as lactose, starch, microcrystalline cellulose (MCC), etc., and were classified into three types as such. 21 out of 100 kinds of drugs were screened as LASIDs and characterized further by Raman microscopic mapping. Accordingly, we proposed a tailored solution to the qualitation and quantitation problem of these LASIDs, using surface-enhanced Raman spectroscopic (SERS) detection on the thin layer chromatographic (TLC) plate both in situ and after-separation. Experimental conditions and parameters including TLC support matrix, SERS substrate, detection mode, similarity threshold, internal standard, etc., were optimized. All LASIDs were satisfactorily identified and the quantitation results agreed well with those of high performance liquid chromatography (HPLC). For some structural analogues of LASIDs, although they presented highly similar SERS spectra and were tough to distinguish even with Raman microscopic mapping, they could be successfully discriminated from each other by coupling SERS (with portable Raman spectrometer) with TLC. These results demonstrated that the proposed solution could be employed to detect the LASIDs with high accuracy and cost-effectiveness. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Surface-enhanced Raman scattering active gold nanoparticle/nanohole arrays fabricated through electron beam lithography

    Science.gov (United States)

    Wu, Tsunghsueh; Lin, Yang-Wei

    2018-03-01

    Effective surface-enhanced Raman scattering (SERS)-active substrates from gold nanoparticle and gold nanohole arrays were successfully fabricated through electron beam lithography with precise computer-aided control of the unit size and intergap distance. Their SERS performance was evaluated using 4-mercaptobenzoic acid (4-MBA). These gold arrays yielded strong SERS signals under 785 nm laser excitation. The enhancement factors for 4-MBA molecules on the prepared gold nanoparticle and nanohole arrays maxed at 1.08 × 107 and 8.61 × 106, respectively. The observed increase in SERS enhancement was attributed to the localized surface plasmon resonance (LSPR) wavelength shifting toward the near-infrared regime when the gold nanohole diameter increased, in agreement with the theoretical prediction in this study. The contribution of LSPR to the Raman enhancement from nanohole arrays deposited on fluorine-doped tin oxide glass was elucidated by comparing SERS and transmission spectra. This simple fabrication procedure, which entails employing electron beam lithography and the controllability of the intergap distance, suggests highly promising uses of nanohole arrays as functional components in sensing and photonic devices.

  3. Durability of template-free Fe-N-C foams for electrochemical oxygen reduction in alkaline solution

    Science.gov (United States)

    Mufundirwa, Albert; Harrington, George F.; Smid, Břetislav; Cunning, Benjamin V.; Sasaki, Kazunari; Lyth, Stephen M.

    2018-01-01

    Due to the high cost and limited availability of platinum, the development of non-platinum-group metals (non-PGM) catalysts is of paramount importance. A promising alternative to Pt are Fe-N-C-based materials. Here we present the synthesis, characterization and electrochemistry of a template-free nitrogen-doped carbon foam, impregnated with iron. This low-cost and gram-scale method results in materials with micron-scale pore size and large surface area (1600 m2g-1). When applied as an oxygen reduction reaction (ORR) electrocatalyst in alkaline solution, the Fe-N-C foams display extremely high initial activity, slightly out-performing commercially available non-PGM catalysts (NCP-2000, Pajarito Powder). The load-cycle durability in alkaline solution is investigated, and the performance steadily degrades over 60,000 potential cycles, whilst the commercial catalyst is remarkably stable. The post-operation catalyst microstructure is elucidated by transmission electron microscopy (TEM), to provide insight into the degradation processes. The resulting images suggest that potential cycling leads to leaching of atomically dispersed Fe-N2/4 sites in all the catalysts, whereas encapsulated iron nanoparticles are protected.

  4. Defect induced activation of Raman silent modes in rf co-sputtered Mn doped ZnO thin films

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Harish Kumar [Department of Physics and Astrophysics, University of Delhi, Delhi-110007 (India); Sreenivas, K [Department of Physics and Astrophysics, University of Delhi, Delhi-110007 (India); Katiyar, R S [Department of Physics, University of Puerto Rico, San Juan, PR 00931-3343 (Puerto Rico); Gupta, Vinay [Department of Physics and Astrophysics, University of Delhi, Delhi-110007 (India)

    2007-10-07

    We study the influence of Mn doping on the vibrational properties of rf sputtered ZnO thin films. Raman spectra of the Mn doped ZnO samples reveal two additional vibrational modes, in addition to the host phonon modes, at 252 and 524 cm{sup -1}. The intensity of the additional modes increases continuously with Mn concentration in ZnO and can be used as an indication of Mn incorporation in ZnO. The modes are assigned to the activation of ZnO silent modes due to relaxation of Raman selection rules produced by the breakdown of the translational symmetry of the crystal lattice with the incorporation of Mn at the Zn site. Furthermore, the A{sub 1} (LO) mode is observed with very high intensity in the Raman spectra of undoped ZnO thin film and is attributed to the built-in electric field at the grain boundaries.

  5. Defect induced activation of Raman silent modes in rf co-sputtered Mn doped ZnO thin films

    International Nuclear Information System (INIS)

    Yadav, Harish Kumar; Sreenivas, K; Katiyar, R S; Gupta, Vinay

    2007-01-01

    We study the influence of Mn doping on the vibrational properties of rf sputtered ZnO thin films. Raman spectra of the Mn doped ZnO samples reveal two additional vibrational modes, in addition to the host phonon modes, at 252 and 524 cm -1 . The intensity of the additional modes increases continuously with Mn concentration in ZnO and can be used as an indication of Mn incorporation in ZnO. The modes are assigned to the activation of ZnO silent modes due to relaxation of Raman selection rules produced by the breakdown of the translational symmetry of the crystal lattice with the incorporation of Mn at the Zn site. Furthermore, the A 1 (LO) mode is observed with very high intensity in the Raman spectra of undoped ZnO thin film and is attributed to the built-in electric field at the grain boundaries

  6. Phase transformations in interstitial Fe-N alloys

    Energy Technology Data Exchange (ETDEWEB)

    Liapina, T.

    2005-04-15

    Nitriding is a prominent thermochemical heat-treatment procedure leading to various types of surface property improvements of the treated iron and steel. Many questions regarding even very basic properties of these compound layers and the relevant nitride phases are still open. Some of these open questions related with the behaviour of iron nitrides and, in particular, of iron nitride compound layers occurring below the usual process temperatures are addressed to in this thesis, as relevant e.g. for the cooling procedure after nitriding. The most important iron nitrides occurring in iron-nitride compound layers are the {gamma}'- and {epsilon}-phases in the Fe-N system. It is shown that for relatively low nitrogen contents of epsilon-iron nitrides (around Fe{sub 3}N) the cooling rate upon going down from an elevated annealing temperature to room temperature has a significant effect on the lattice parameters. X-ray and neutron diffraction analysis revealed that the lattice parameter values observed after fast cooling are affected by the higher degree of nitrogen disorder at elevated temperature, thus changing the c/a ratio. New relations between the lattice parameters of {epsilon}-iron nitrides and the nitrogen content are suggested for different types of cooling. The investigation by TEM of the decomposition upon annealing (633 K, 673 K) of initially homogeneous {epsilon}-Fe{sub 3}N powders revealed that the {gamma}'-formation occurs in only a few powder particles in a grain-like form. Moreover, diffraction line-profile analysis revealed N transport occurring from particle to particle, leading to inhomogeneities of N content in the epsilon-phase. It was shown that {gamma}'-iron nitride formation can occur by backwards growth of the existing {gamma}'-sublayer at the cost of the {epsilon}-sublayer increasing N concentration in the {epsilon}-layer. Another process, which may additionally occur in the compound layer upon annealing, is diffusion of N

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

    Science.gov (United States)

    Szostak, Roman; Mazurek, Sylwester

    2013-02-01

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

  8. Synthesis of Au Nanostars and Their Application as Surface Enhanced Raman Scattering-Activity Tags Inside Living Cells.

    Science.gov (United States)

    Cao, Xiaowei; Shi, Chaowen; Lu, Wenbo; Zhao, Hang; Wang, Man; Tong, Wei; Dong, Jian; Han, Xiaodong; Qian, Weiping

    2015-07-01

    This work presents the synthesis and characterization of Au nanostars (AuNSs) and demonstrates their application as surface enhanced Raman scattering (SERS)-activity tags for cellular imaging and sensing. Nile blue A (NBA) and bovine serum albumin (BSA) were used as Raman reporter molecules and capping materials, respectively. The SERS-activity tags were tested on human lung adenocarcinoma cell (A549) and alveolar type II cell (AT II) and found to present a low level of cytotoxicity and high chemical stability. These SERS-activity tags not only can be applied in multiplexed cellular imaging, including dark field imaging, transmission electron microscopy (TEM) and SERS imaging, but also can be used for cellular sensing. The SERS spectra clearly identified cellular important components such as proteins, nucleic acids, lipids, and carbohydrates. This study also shows that endocytosis is the main channel of tags internalized in cells. The AuNSs exhibiting strong surface enhanced Raman effects are utilized in the design of an efficient, stable SERS-activity tag for intracellular applications.

  9. Structure-activity relations of 2-(methylthio)benzimidazole by FTIR, FT-Raman, NMR, DFT and conceptual DFT methods.

    Science.gov (United States)

    Arjunan, V; Raj, Arushma; Ravindran, P; Mohan, S

    2014-01-24

    The vibrational fundamental modes of 2-(methylthio)benzimidazole (2MTBI) have been analysed by combining FTIR, FT-Raman and quantum chemical calculations. The structural parameters of the compound are determined from the optimised geometry by B3LYP with 6-31G(∗∗), 6-311++G(∗∗) and cc-pVTZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra have been analysed and (1)H and (13)C nuclear magnetic resonance chemical shifts are calculated using the gauge independent atomic orbital (GIAO) method. The structure-activity relationship of the compound is also investigated by conceptual DFT methods. The chemical reactivity and site selectivity of the molecule has been determined with the help of global and local reactivity descriptors. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Fe-N co-doped SiO2@TiO2 yolk-shell hollow nanospheres with enhanced visible light photocatalytic degradation

    Science.gov (United States)

    Wan, Hengcheng; Yao, Weitang; Zhu, Wenkun; Tang, Yi; Ge, Huilin; Shi, Xiaozhong; Duan, Tao

    2018-06-01

    SiO2@TiO2 yolk@shell hollow nanospheres (STNSs) is considered as an outstanding photocatalyst due to its tunable structure and composition. Based on this point, we present an unprecedentedly excellent photocatalytic property of STNSs toward tannic acid via a Fe-N co-doped strategy. Their morphologies, compositions, structure and properties are characterized. The Fe-N co-doped STNSs formed good hollow yolk@shell structure. The results show that the energy gap of the composites can be downgraded to 2.82 eV (pure TiO2 = 3.2 eV). Photocatalytic degradation of tannic acid (TA, 30 mg L-1) under visible light (380 nm TiO2 nanospheres, non-doped STNSs and N-doped STNSs, the Fe-N co-doped STNSs exhibits the highest activity, which can degrade 99.5% TA into CO2 and H2O in 80 min. The probable degradation mechanism of the composites is simultaneously proposed, the band gap of STNSs becomes narrow by co-doping Fe-N, so that the TiO2 shell can stimulate electrons under visible light exposure, generate the ions of radOH and radO2- with a strong oxidizing property. Therefore this approach works is much desired for radioactive organic wastewater photocatalytic degradation.

  11. L-Alanyl-L-alanine Conformational Changes Induced by pH As Monitored by the Raman Optical Activity Spectra

    Czech Academy of Sciences Publication Activity Database

    Šebek, Jiří; Kapitán, Josef; Šebestík, Jaroslav; Baumruk, V.; Bouř, Petr

    2009-01-01

    Roč. 113, č. 27 (2009), s. 7760-7768 ISSN 1089-5639 R&D Projects: GA ČR GA202/07/0732; GA ČR GA203/07/1517; GA AV ČR IAA400550702 Institutional research plan: CEZ:AV0Z40550506 Keywords : Raman optical activity * peptides * conformation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.899, year: 2009

  12. Electrochemical activation of Li2MnO3 at elevated temperature investigated by in situ Raman microscopy

    International Nuclear Information System (INIS)

    Lanz, Patrick; Villevieille, Claire; Novák, Petr

    2013-01-01

    Layered-layered oxides of the type xLi 2 MnO 3 ·(1 − x)LiMO 2 (M = Mn, Ni, Co) have been postulated to contain Li 2 MnO 3 domains which, upon electrochemical activation, give rise to a characteristic potential plateau at 4.5 V vs. Li + /Li. To improve our understanding of the complex reaction mechanisms at play, we applied in situ Raman microscopy to investigate the constituent Li 2 MnO 3 . Li 2 MnO 3 synthesised via a two-step solid-state reaction was characterised by scanning electron microscopy and X-ray diffraction. Preliminary electrochemical tests and ex situ Raman microscopy showed the need for elevated temperatures to achieve activation. For the first time, in situ Raman microscopy (at 50 °C) confirmed the activation of Li 2 MnO 3 . The main signal at 615 cm −1 shifted to higher wavenumbers upon charging. After reaching 4.4 V vs. Li + /Li, this shift grew significantly, which is in good agreement with the onset of the potential plateau in both Li 2 MnO 3 and xLi 2 MnO 3 ·(1 − x)LiMO 2 , and is assigned to the partial formation of a spinel-like phase

  13. Raman spectroscopy

    Science.gov (United States)

    Raman spectroscopy has gained increased use and importance in recent years for accurate and precise detection of physical and chemical properties of food materials, due to the greater specificity and sensitivity of Raman techniques over other analytical techniques. This book chapter presents Raman s...

  14. Photocatalytic, Antimicrobial and Biocompatibility Features of Cotton Knit Coated with Fe-N-Doped Titanium Dioxide Nanoparticles

    Directory of Open Access Journals (Sweden)

    Miruna Silvia Stan

    2016-09-01

    Full Text Available Our research was focused on the evaluation of the photocatalytic and antimicrobial properties, as well as biocompatibility of cotton fabrics coated with fresh and reused dispersions of nanoscaled TiO2-1% Fe-N particles prepared by the hydrothermal method and post-annealed at 400 °C. The powders were characterized by X-ray diffraction (XRD, Mössbauer spectroscopy and X-ray photoelectron spectroscopy. The textiles coated with doped TiO2 were characterized by scanning electron microscopy and energy dispersive X-ray analyses, and their photocatalytic effect by trichromatic coordinates of the materials stained with methylene blue and coffee and exposed to UV, visible and solar light. The resulting doped TiO2 consists of a mixture of prevailing anatase phase and a small amount (~15%–20% of brookite, containing Fe3+ and nitrogen. By reusing dispersions of TiO2-1% Fe-N, high amounts of photocatalysts were deposited on the fabrics, and the photocatalytic activity was improved, especially under visible light. The treated fabrics exhibited specific antimicrobial features, which were dependent on their composition, microbial strain and incubation time. The in vitro biocompatibility evaluation on CCD-1070Sk dermal fibroblasts confirmed the absence of cytotoxicity after short-term exposure. These results highlight the potential of TiO2-1% Fe-N nanoparticles for further use in the development of innovative self-cleaning and antimicrobial photocatalytic cotton textiles. However, further studies are required in order to assess the long-term skin exposure effects and the possible particle release due to wearing.

  15. Generation of spectral clusters in a mixture of noble and Raman-active gases.

    Science.gov (United States)

    Hosseini, Pooria; Abdolvand, Amir; St J Russell, Philip

    2016-12-01

    We report a novel scheme for the generation of dense clusters of Raman sidebands. The scheme uses a broadband-guiding hollow-core photonic crystal fiber (HC-PCF) filled with a mixture of H2, D2, and Xe for efficient interaction between the gas mixture and a green laser pump pulse (532 nm, 1 ns) of only 5 μJ of energy. This results in the generation from noise of more than 135 rovibrational Raman sidebands covering the visible spectral region with an average spacing of only 2.2 THz. Such a spectrally dense and compact fiber-based source is ideal for applications where closely spaced narrow-band laser lines with high spectral power density are required, such as in spectroscopy and sensing. When the HC-PCF is filled with a H2-D2 mixture, the Raman comb spans the spectral region from the deep UV (280 nm) to the near infrared (1000 nm).

  16. Raman-Activated Droplet Sorting (RADS) for Label-Free High-Throughput Screening of Microalgal Single-Cells.

    Science.gov (United States)

    Wang, Xixian; Ren, Lihui; Su, Yetian; Ji, Yuetong; Liu, Yaoping; Li, Chunyu; Li, Xunrong; Zhang, Yi; Wang, Wei; Hu, Qiang; Han, Danxiang; Xu, Jian; Ma, Bo

    2017-11-21

    Raman-activated cell sorting (RACS) has attracted increasing interest, yet throughput remains one major factor limiting its broader application. Here we present an integrated Raman-activated droplet sorting (RADS) microfluidic system for functional screening of live cells in a label-free and high-throughput manner, by employing AXT-synthetic industrial microalga Haematococcus pluvialis (H. pluvialis) as a model. Raman microspectroscopy analysis of individual cells is carried out prior to their microdroplet encapsulation, which is then directly coupled to DEP-based droplet sorting. To validate the system, H. pluvialis cells containing different levels of AXT were mixed and underwent RADS. Those AXT-hyperproducing cells were sorted with an accuracy of 98.3%, an enrichment ratio of eight folds, and a throughput of ∼260 cells/min. Of the RADS-sorted cells, 92.7% remained alive and able to proliferate, which is equivalent to the unsorted cells. Thus, the RADS achieves a much higher throughput than existing RACS systems, preserves the vitality of cells, and facilitates seamless coupling with downstream manipulations such as single-cell sequencing and cultivation.

  17. Effect of pressure on Zircon's (ZrSiO4) Raman active modes: a first-principles study

    Science.gov (United States)

    Sheremetyeva, Natalya; Cherniak, Daniele; Watson, Bruce; Meunier, Vincent

    Zircon is a mineral commonly found in the Earth crust. Its remarkable properties have given rise to considerable attention. This includes possible inclusion of radioactive elements in natural samples, which allows for geochronological investigations. Subsequently, Zircon was proposed as possible host material for radioactive waste management. Internal radiation damage in zircon leads to the destruction of its crystal structure (an effect known as metamictization) which is subject to ongoing research. Recently, the effect of pressure and temperature on synthetic zircon has been analyzed experimentally using Raman spectroscopy which led to the calibration of zircon as a pressure sensor in diamond-anvil cell experiments. While there have been a number of theoretical studies, the effect of pressure on the Raman active modes of zircon has not been investigated theoretically. Here we present a first-principles pressure calibration of the Raman active modes in Zircon employing density-functional theory (DFT). We find excellent quantitative agreement of the slopes ∂ω / ∂P with the experimental ones and are able to rationalize the ω vs. P behavior based on the details of the vibrational modes.

  18. Laser-induced gratings in the gas phase excited via Raman-active transitions

    Energy Technology Data Exchange (ETDEWEB)

    Kozlov, D N [General Physics Inst., Russian Academy of Sciences, Moscow (Russian Federation); Bombach, R; Hemmerling, B; Hubschmid, W [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    We report on a new time resolved coherent Raman technique that is based on the generation of thermal gratings following a population change among molecular levels induced by stimulated Raman pumping. This is achieved by spatially and temporally overlapping intensity interference patterns generated independently by two lasers. When this technique is used in carbon dioxide, employing transitions which belong to the Q-branches of the {nu}{sub 1}/2{nu}{sub 2} Fermi dyad, it is possible to investigate molecular energy transfer processes. (author) 2 figs., 10 refs.

  19. Infrared and Raman Spectroscopy: A Discovery-Based Activity for the General Chemistry Curriculum

    Science.gov (United States)

    Borgsmiller, Karen L.; O'Connell, Dylan J.; Klauenberg, Kathryn M.; Wilson, Peter M.; Stromberg, Christopher J.

    2012-01-01

    A discovery-based method is described for incorporating the concepts of IR and Raman spectroscopy into the general chemistry curriculum. Students use three sets of springs to model the properties of single, double, and triple covalent bonds. Then, Gaussian 03W molecular modeling software is used to illustrate the relationship between bond…

  20. Raman facility

    Data.gov (United States)

    Federal Laboratory Consortium — Raman scattering is a powerful light scattering technique used to diagnose the internal structure of molecules and crystals. In a light scattering experiment, light...

  1. Induction plasma-sprayed photocatalytically active titania coatings and their characterisation by micro-Raman spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Burlacov, I.; Jirkovský, Jaromír; Muller, M.; Heimann, R. B.

    2006-01-01

    Roč. 201, 1-2 (2006), s. 255-264 ISSN 0257-8972 Grant - others:European Communities(XE) EVKI-2002-30025 Institutional research plan: CEZ:AV0Z40400503 Source of funding: R - rámcový projekt EK Keywords : titania (anatase) coatings * induction plasma spraying * suspension plasma spraying * Raman spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 1.559, year: 2006

  2. All-oxide Raman-active traps for light and matter: probing redox homeostasis model reactions in aqueous environment.

    Science.gov (United States)

    Alessandri, Ivano; Depero, L E

    2014-04-09

    Core-shell colloidal crystals can act as very efficient traps for light and analytes. Here it is shown that Raman-active probes can be achieved using SiO2-TiO2 core-shell beads. These systems are successfully tested in monitoring of glutathione redox cycle at physiological concentration in aqueous environment, without need of any interfering enhancers. These materials represent a promising alternative to conventional, metal-based SERS probes for investigating chemical and biochemical reactions under real working conditions. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Noticeable positive Doppler effect on optical bistability in an N-type active Raman gain atomic system

    International Nuclear Information System (INIS)

    Chang Zeng-Guang; Zhang Jing-Tao; Niu Yue-Ping; Gong Shang-Qing

    2012-01-01

    We theoretically investigate the Doppler effect on optical bistability in an N-type active Raman gain atomic system inside an optical ring cavity. It is shown that the Doppler effect can greatly enhance the dispersion and thus create the bistable behaviour or greatly increase the bistable region, which has been known as the positive Doppler effect on optical bistability. In addition, we find that a positive Doppler effect can change optical bistability from the hybrid dispersion-gain type to a dispersive type

  4. Raman spectroscopy an intensity approach

    CERN Document Server

    Guozhen, Wu

    2017-01-01

    This book summarizes the highlights of our work on the bond polarizability approach to the intensity analysis. The topics covered include surface enhanced Raman scattering, Raman excited virtual states and Raman optical activity (ROA). The first chapter briefly introduces the Raman effect in a succinct but clear way. Chapter 2 deals with the normal mode analysis. This is a basic tool for our work. Chapter 3 introduces our proposed algorithm for the Raman intensity analysis. Chapter 4 heavily introduces the physical picture of Raman virtual states. Chapter 5 offers details so that the readers can have a comprehensive idea of Raman virtual states. Chapter 6 demonstrates how this bond polarizability algorithm is extended to ROA intensity analysis. Chapters 7 and 8 offer details on ROA, showing many findings on ROA mechanism that were not known or neglected before. Chapter 9 introduces our proposed classical treatment on ROA which, as combined with the results from the bond polarizability analysis, leads to a com...

  5. Vibrational analysis of various irotopes of L-alanyl-L-alanine in aqueous solution: Vibrational Absorption (VA), Vibrational Circular Dichroism (VCD), Raman and Raman Optical Activity (ROA) Spectra

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R.M.; Knapp-Mohammady, M.

    2003-01-01

    . DFT Becke3LYP/6-31G* theory has been used to determine the geometry, Hessian, atomic polar tensors (APT), and atomic axial tensors (AAT), and the electric dipole-electric dipole polarizability derivatives (EDEDPD), which are required for us to simulate the VA, VCD, and Raman spectra. The electric...

  6. Study of crystal-field excitations and Raman active phonons in o-DyMnO3

    International Nuclear Information System (INIS)

    Jandl, S.; Mansouri, S.; Mukhin, A.A.; Yu Ivanov, V.; Balbashov, A.; Gospodino, M.M.; Nekvasil, V.; Orlita, M.

    2011-01-01

    In DyMnO 3 orthorhombic single crystals, the weak Raman active phonon softening below T=100 K is correlated with the study of infrared active Dy 3+ CF excitations as a function of temperature and under applied magnetic field. We detect five H 13/2 CF transitions that we predict with appropriate CF Hamiltonian and we confirm that the magnetic easy axis lies in the ab plane. While the CF energy level shifts below T=100 K reflect different displacements of the oxygen ions that contribute to the phonon softening, lifting of the ground state Kramers doublet degeneracy (∼30 cm -1 ) is observed below T N =39 K due to the anisotropic Mn 3+ -Dy 3+ interaction, which could be responsible for the stability of the bc-cycloid ferroelectric phase. - Research highlights: → Origin of Raman active phonon softening in the multiferroic o-DyMnO 3 . → A crystal-field study under magnetic field of Dy 3+ in o-DyMnO 3 . → Location of the magnetic easy axis in o-DyMnO 3 . → Lifting of Kramers doublet degeneracy in o-DyMnO 3 .

  7. Photocatalytic enhancement of floating photocatalyst: Layer-by-layer hybrid carbonized chitosan and Fe-N- codoped TiO{sub 2} on fly ash cenospheres

    Energy Technology Data Exchange (ETDEWEB)

    Song, Jingke; Wang, Xuejiang, E-mail: wangxj@tongji.edu.cn; Bu, Yunjie; Wang, Xin; Zhang, Jing; Huang, Jiayu; Ma, RongRong; Zhao, Jianfu

    2017-01-01

    Highlights: • Multifunctional TiO{sub 2} was coated on floating fly ash cenospheres. • TiO{sub 2} was integrated with carbonaceous layer from chitosan and Fe-N co-doping. • Carbonized chitosan improved the adsorption of pollutant and photon absorption ability of TiO{sub 2}. • Modified TiO{sub 2} exhibited superior photocatalytic activity and better recyclability. - Abstract: Due to the advantage of floating on water surface, floating photocatalysts show higher rates of radical formation and collection efficiencies. And they were expected to be used for solar remediation of non-stirred and non-oxygenated reservoirs. In this research, floating fly ash cenospheres (FAC) supported layer-by- layer hybrid carbonized chitosan and Fe-N-codoped TiO{sub 2} was prepared by a simple sol-gel method. The catalysts were characterized by X-ray diffraction(XRD), field emission scanning electron microscopy(FESEM), fourier transform infrared spectroscopy(FTIR), X-ray photoelectron spectroscopy (XPS), UV–vis diffuse reflectance spectroscopy(DRS), nitrogen adsorption analyses for Brunauer-Emmett-Teller (BET) specific surface area. It is indicated that Fe-N codoped narrowed the material’s band gap, and the layer of carbonized chitosan (Cts) increased the catalyst’s adsorption capacity and the absorption ability of visible light. Comparing with Fe-N-TiO{sub 2}/FAC and N-TiO{sub 2}/FAC, the composite photocatalyst show excellent performance on the degradation of RhB. Photodegradation rate of RhB by Fe-N-TiO{sub 2}/FAC-Cts was 0.01018 min{sup −1}, which is about 1.5 and 2.09 times higher than Fe-N-TiO{sub 2}/FAC and N-TiO{sub 2}/FAC under visible light irradiation in 240 min, respectively. The dye photosentization, capture of holes and electrons by Fe{sup 3+} ion, and synergistic effect of adsorption and photodegradation were attributed to the results for the improvement of photocatalytic performance. The floating photocatalyst can be reused for at least three consecutive

  8. Phase Transformations and Phase Equilibria in the Fe-N System at Temperatures below 573 K

    DEFF Research Database (Denmark)

    Malinov, S.; Böttger, A.J.; Mittemeijer, E.J.

    2001-01-01

    The phase transformations of homogeneous Fe-N alloys of nitrogen contents from 10 to 26 at. pct were investigated by means of X-ray diffraction analysis upon aging in the temperature range from 373 to 473 K. It was found that precipitation of alpha double prime-Fe16N2 below 443 K does not only oc...

  9. Formation dynamics of FeN thin films on Cu(100)

    KAUST Repository

    Heryadi, Dodi; Schwingenschlö gl, Udo

    2012-01-01

    To investigate the structural and magnetic properties of thin films of FeN we have performed ab initio molecular dynamics simulations of their formation on Cu(100) substrates. The iron nitride layers exhibit a p4gm(2 × 2) reconstruction and order

  10. Evidence for molecular N2 bubble formation in a (Ga,Fe)N magnetic semiconductor

    DEFF Research Database (Denmark)

    Kovács, András; Schaffer, B.; Moreno, M. S.

    2011-01-01

    Fe-doped GaN semiconductors are of interest for combining the properties of semiconductors and magnetic materials [1]. Depending on the growth temperature used, Fe can either be distributed homogenously in the GaN host lattice or it can accumulate in the form of Fe-N nanocrystals. As a result of ...

  11. Raman spectroscopy for the evaluation of the effects of different concentrations of Copper on the chemical composition and biological activity of basil essential oil

    Science.gov (United States)

    Nawaz, Haq; Hanif, Muhammad Asif; Ayub, Muhammad Adnan; Ishtiaq, Faiqa; Kanwal, Nazish; Rashid, Nosheen; Saleem, Muhammad; Ahmad, Mushtaq

    2017-10-01

    The present study is performed to evaluate the effect of different concentrations of Cu as fertilizer on the chemical composition of basil essential oil and its biological activity including antioxidant and antifungal activities by employing Raman spectroscopy. Moreover, the effect of Cu is also determined on the vegetative growth and essential oil yield. Both, antifungal and antioxidant activities were found to be maximum with essential oils obtained at 0.04 mg/l concentration of Cu fertilizer. The results of the GC-MS and Raman spectroscopy have revealed that the linalool and estragole are found to be as a major chemical compound in basil essential oil. The Raman spectral changes associated with these biological components lead to the conclusion that estragole seems to have dominating effect in the biological activities of the basil essential oil as compared to linalool although the latter is observed in greater concentration.

  12. Synergistic increase of oxygen reduction favourable Fe-N coordination structures in a ternary hybrid of carbon nanospheres/carbon nanotubes/graphene sheets.

    Science.gov (United States)

    Zhang, Shiming; Liu, Bin; Chen, Shengli

    2013-11-14

    A Fe/N co-doped ternary nanocarbon hybrid, with uniform bamboo-like carbon nanotubes (CNTs) in situ grown on/between the single/few-layer graphene sheets interspaced by carbon nanosphere aggregates, was prepared through a one-pot heat treatment of a precursor mixture containing graphene oxide, Vulcan XC-72 carbon nanospheres, nitrogen rich melamine and small amounts of Fe ions. Physical characterization including electron microscopic images, N2 adsorption-desorption isotherms, pore size distribution, XPS, XRD, Mössbauer spectra, and EDX revealed that the 0-D/1-D/2-D ternary hybrid architecture not only offered an optimized morphology for high dispersion of each nanocarbon moiety, while the carbon nanosphere interspaced graphene sheets have provided a platform for efficient reaction between Fe ions and melamine molecules, resulting in uniform nucleation and growth of CNTs and formation of high density Fe-N coordination assemblies that have been believed to be the active centers for the oxygen reduction reaction (ORR) in carbon-based nonprecious metal electrocatalysts. In the absence of graphene oxides or carbon nanospheres, a similar heat treatment was found to result in large amounts of elemental Fe and Fe carbides and entangled CNTs with wide diameter distributions. As a result, the ternary Fe/N-doped nanocarbon hybrid exhibits ORR activity much higher than the Fe-N doped single or binary nanocarbon materials prepared under similar heat treatment conditions, and approaching that of the state-of-the-art carbon-supported platinum catalyst (Pt/C) in acidic media, as well as superior stability and methanol tolerance to Pt/C.

  13. Raman chemical mapping of magnesium stearate delivered by a punch-face lubrication system on the surface of placebo and active tablets.

    Science.gov (United States)

    Šašiċ, Slobodan; Ojakovo, Peter; Warman, Martin; Sanghvi, Tapan

    2013-09-01

    Raman chemical mapping was used to determine the distribution of magnesium stearate, a lubricant, on the surface of tablets. The lubrication was carried out via a punch-face lubrication system with different spraying rates applied on placebo and active-containing tablets. Principal component analysis was used for decomposing the matrix of Raman mapping spectra. Some of the loadings associated with minuscule variation in the data significantly overlap with the Raman spectrum of magnesium stearate in placebo tablets and allow for imaging the domains of magnesium stearate via corresponding scores. Despite the negligible variation accounted for by respective principal components, the score images seem reliable as demonstrated through thresholding the one-dimensional representation and the spectra of the hot pixels that show a weak but perceivable magnesium stearate band at 1295 cm(-1). The same approach was applied on the active formulation, but no magnesium stearate was identified, presumably due to overwhelming concentration and spectral contribution of the active pharmaceutical ingredient.

  14. Surface-enhanced Raman scattering active gold nanostructure fabricated by photochemical reaction of synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, Akinobu, E-mail: yamaguti@lasti.u-hyogo.ac.jp [Laboratory of Advance Science and Technology for Industry, University of Hyogo, 3-1-2 Koto, Kamigori, Ako, Hyogo 678-1205 (Japan); Matsumoto, Takeshi [Laboratory of Advance Science and Technology for Industry, University of Hyogo, 3-1-2 Koto, Kamigori, Ako, Hyogo 678-1205 (Japan); Okada, Ikuo; Sakurai, Ikuya [Synchrotoron Radiation Research Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Utsumi, Yuichi [Laboratory of Advance Science and Technology for Industry, University of Hyogo, 3-1-2 Koto, Kamigori, Ako, Hyogo 678-1205 (Japan)

    2015-06-15

    The deposition of gold nanoparticles in an electroplating solution containing gold (I) trisodium disulphite under synchrotron X-ray radiation was investigated. The nanoparticles grew and aggregated into clusters with increasing radiation time. This behavior is explained by evaluating the effect of Derjaguin-Landau-Verweyand-Overbeek (DLVO) interactions combining repulsive electrostatic and attractive van der Waals forces on the particle deposition process. The surface-enhanced Raman scattering (SERS) of 4,4′ -bipyridine (4bpy) in aqueous solution was measured using gold nanoparticles immobilized on silicon substrates under systematically-varied X-ray exposure. The substrates provided an in situ SERS spectrum for 1 nM 4bpy. This demonstration creates new opportunities for chemical and environmental analyses through simple SERS measurements. - Highlights: • Gold nanoparticles were produced by photochemical reaction of synchrotron radiation. • The gold nanoparticles grew and aggregated into the higher-order nanostructure. • The behavior is qualitatively explained by analytical estimation. • The surface-enhanced Raman spectroscopy of 4,4′-bipyridine (4bpy) was demonstrated. • The substrate fabricated in a suitable condition provides in situ SERS for 1 nM 4bpy.

  15. Structural symmetry breaking of silicon containing polymers and their relation with electrical conductivity and Raman active vibrations

    Science.gov (United States)

    Cabrera, Alejandro; González, Carmen; Tagle, Luis; Terraza, Claudio; Volkmann, Ulrich; Barriga, Andrés; Ramos, Esteban; Pavez, Maximiliano

    2011-03-01

    The incorporation of silicon into the polymeric main chain or side groups can provide an enhancement in chemical, physical and mechanical properties. We report an efficient method for the synthesis of polymers containing silicon in the main chain, from the polycondensation reactions of four optically active carboxylic diacid. The solubility of the polymers, the molecular weight, the glass transition and the thermal stability were studied by standard techniques. Raman spectroscopy was used to probe the conformation of stretching modes as function of the temperature. The conductivity measurements indicated that the alignment of the molecules is a crucial parameter for electrical performance. When the polymers were exposed to iodine, charge transfer increased their mobility and decreased their optical band gaps. These novel properties highlight the possibility to generate alternative active opto-electronics polymers.

  16. Formation dynamics of FeN thin films on Cu(100)

    KAUST Repository

    Heryadi, Dodi

    2012-01-01

    To investigate the structural and magnetic properties of thin films of FeN we have performed ab initio molecular dynamics simulations of their formation on Cu(100) substrates. The iron nitride layers exhibit a p4gm(2 × 2) reconstruction and order ferromagnetically in agreement with experiment. We establish the dynamics and time scale of the film formation as a function of the film thickness. The process is split in two phases: formation of almost flat FeN layers and optimization of the distance to the substrate. Our calculated magnetic moments are 1.67 μ B, 2.14 μ B, and 2.21 μ B for one, two, and three monolayers of iron nitride. © 2011 Elsevier B.V. All rights reserved.

  17. Evaluations of the 58Fe(n,γ)59Fe, and 54Fe(n,p)54Mn reactions for the ENDF/B-V dosimetry file

    International Nuclear Information System (INIS)

    Schenter, R.E.; Schmittroth, F.; Mann, F.M.

    1979-10-01

    A generalized least-squares adjustment procedure was used to evaluate two important dosimetry reactions for the ENDF/B-V files. Calculations for the cross section adjustments were made with the computer code FERRET, where input data included both integral and differential experimental data results. For the 54 Fe reaction, important ratio measurements were renormalized to ENDF/B-V evaluations of 235 U(n,f), 238 U(n,f), and 56 Fe(n,p). A priori curves which are required for the calculations were obtained using Hauser-Feshbach calculations from the codes NCAP ( 58 Fe) and HAUSER-5 ( 54 Fe). Covariance matrices were also calculated and are included in the evaluations. 8 figures, 1 table

  18. Mixture analysis with laser raman spctroscopy

    International Nuclear Information System (INIS)

    Kim, M.S.; Bark, G.M.

    1981-01-01

    Trace amount of methyl orange was determined in colored medium by resonance Raman spectrometry. Without major modification of a commercial laser Raman spectrometer, the resonance Raman active molecule could be determined satisfactorily in 10sup(-5)M range when the background fluorescence was more than 20 times stronger than the signal. Use of fluorescence quenching agent was found helpful to improve the Raman signal. Suggestions for the improvement of analytical method is presented. (Author)

  19. Vibrational imaging of glucose uptake activity in live cells and tissues by stimulated Raman scattering microscopy (Conference Presentation)

    Science.gov (United States)

    Hu, Fanghao; Chen, Zhixing; Zhang, Luyuan; Shen, Yihui; Wei, Lu; Min, Wei

    2016-03-01

    Glucose is consumed as an energy source by virtually all living organisms, from bacteria to humans. Its uptake activity closely reflects the cellular metabolic status in various pathophysiological transformations, such as diabetes and cancer. Extensive efforts such as positron emission tomography, magnetic resonance imaging and fluorescence microscopy have been made to specifically image glucose uptake activity but all with technical limitations. Here, we report a new platform to visualize glucose uptake activity in live cells and tissues with subcellular resolution and minimal perturbation. A novel glucose analogue with a small alkyne tag (carbon-carbon triple bond) is developed to mimic natural glucose for cellular uptake, which can be imaged with high sensitivity and specificity by targeting the strong and characteristic alkyne vibration on stimulated Raman scattering (SRS) microscope to generate a quantitative three dimensional concentration map. Cancer cells with differing metabolic characteristics can be distinguished. Heterogeneous uptake patterns are observed in tumor xenograft tissues, neuronal culture and mouse brain tissues with clear cell-cell variations. Therefore, by offering the distinct advantage of optical resolution but without the undesirable influence of bulky fluorophores, our method of coupling SRS with alkyne labeled glucose will be an attractive tool to study energy demands of living systems at the single cell level.

  20. CV Raman

    Indian Academy of Sciences (India)

    formatted to take advantage of the changes in publishing methods in the past thirty ..... This work would not have been possible without the support and en- couragement of ..... in which Raman made his decision, have a deeper significance than .... Light in Water and the Colour of the Sea within a month of his return to India ...

  1. Raman Chandrasekar

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education. Raman Chandrasekar. Articles written in Resonance – Journal of Science Education. Volume 13 Issue 5 May 2008 pp 430-439 General Article. How Children Learn to Use Language - An Overview of R. Narasimhan's Ideas on Child Language Acquisition.

  2. Identification of a green rust mineral in a reductomorphic soil by Mossbauer and Raman spectroscopies

    Science.gov (United States)

    Trolard, F.; Génin, J.-M. R.; Abdelmoula, M.; Bourrié, G.; Humbert, B.; Herbillon, A.

    1997-03-01

    Mössbauer and Raman spectroscopies are used to identify for the first time a green rust as a mineral in a reductomorphic soil from samples extracted in the forest of Fougères (Brittany-France). The Mossbauer spectrum displays two characteristic ferrous and ferric quadrupole doublets, the abundance ratio Fe(II)/Fe(Ill) of which is close to 1. Comparison with synthetic mixed valence Fe(II)Fe(HI) hydroxides supports the conclusion that the most probable formula is Fe2(OH)5, i.e., according to the pyroaurite-like crystal structure [Fe(n1Fe1III)(OH),]+o [OH] -. The microprobe Raman spectrum exhibits two bands at 518 and 427 cm-' as for synthetic green rusts. When exposed to the air, the new mineral goes rapidly from bluish-green to ochrous. The formula is compatible with the values of ionic activity products Q for equilibria between aqueous iron species and minerals obtained from soil waters, which suggests that this new mineral is likely to control the mobility of Fe in the environment.

  3. Spectroscopic (far or terahertz, mid-infrared and Raman) investigation, thermal analysis and biological activity of piplartine

    Science.gov (United States)

    Srivastava, Anubha; Karthick, T.; Joshi, B. D.; Mishra, Rashmi; Tandon, Poonam; Ayala, A. P.; Ellena, Javier

    2017-09-01

    Research in the field of medicinal plants including Piper species like long pepper (Piper longum L.- Piperaceae) is increasing all over the world due to its use in traditional and Ayurvedic medicine. Piplartine (piperlongumine, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone), a biologically active alkaloid/amide was isolated from the phytochemical investigations of Piper species, as long pepper. This alkaloid has cytotoxic, anti-fungal, anti-diabetic, anti-platelet aggregation, anti-tumoral, anxiolytic, anti-depressant, anti-leishmanial, and genotoxic activities, but, its anticancer property is the most promising and has been widely explored. The main purpose of the work is to present a solid state characterization of PPTN using thermal analysis and vibrational spectroscopy. Quantum mechanical calculations based on the density functional theory was also applied to investigate the molecular conformation and vibrational spectrum, which was compared with experimental results obtained by Raman scattering, far (terahertz) and mid-infrared adsorption spectroscopy. NBO analysis has been performed which predict that most intensive interactions in PPTN are the hyperconjugative interactions between n(1) N6 and π*(O1sbnd C7) having delocalization energy of 50.53 kcal/mol, Topological parameters have been analyzed using 'AIM' analysis which governs the three bond critical points (BCPs), one di-hydrogen, and four ring critical points (RCPs). MEP surface has been plotted which forecast that the most negative region is associated with the electronegative oxygen atoms (sites for nucleophilic activity). Theoretically, to confirm that the title compound has anti-cancer, anti-diabetic and anti-platelet aggregation activities, it was analyzed by molecular docking interactions with the corresponding target receptors. The obtained values of H-bonding parameters and binding affinity prove that its anti-cancer activity is the more prominent than the

  4. Quantitative and Label-Free Detection of Protein Kinase A Activity Based on Surface-Enhanced Raman Spectroscopy with Gold Nanostars.

    Science.gov (United States)

    He, Shuai; Kyaw, Yi Mon Ei; Tan, Eddie Khay Ming; Bekale, Laurent; Kang, Malvin Wei Cherng; Kim, Susana Soo-Yeon; Tan, Ivan; Lam, Kong-Peng; Kah, James Chen Yong

    2018-04-26

    The activity of extracellular protein kinase A (PKA) is known to be a biomarker for cancer. However, conventional PKA assays based on colorimetric, radioactive, and fluorometric techniques suffer from intensive labeling-related preparations, background interference, photobleaching, and safety concerns. While surface-enhanced Raman spectroscopy (SERS)-based assays have been developed for various enzymes to address these limitations, their use in probing PKA activity is limited due to subtle changes in the Raman spectrum with phosphorylation. Here, we developed a robust colloidal SERS-based scheme for label-free quantitative measurement of PKA activity using gold nanostars (AuNS) as a SERS substrate functionalized with bovine serum albumin (BSA)-kemptide (Kem) bioconjugate (AuNS-BSA-Kem), where BSA conferred colloidal stability and Kem is a high-affinity peptide substrate for PKA. By performing principle component analysis (PCA) on the SERS spectrum, we identified two Raman peaks at 725 and 1395 cm -1 , whose ratiometric intensity change provided a quantitative measure of Kem phosphorylation by PKA in vitro and allowed us to distinguish MDA-MB-231 and MCF-7 breast cancer cells known to overexpress extracellular PKA catalytic subunits from noncancerous human umbilical vein endothelial cells (HUVEC) based on their PKA activity in cell culture supernatant. The outcome demonstrated potential application of AuNS-BSA-Kem as a SERS probe for cancer screening based on PKA activity.

  5. Controllable synthesis of mesoporous carbon nanospheres and Fe-N/carbon nanospheres as efficient oxygen reduction electrocatalysts

    Science.gov (United States)

    Wei, Jing; Liang, Yan; Zhang, Xinyi; Simon, George P.; Zhao, Dongyuan; Zhang, Jin; Jiang, Sanping; Wang, Huanting

    2015-03-01

    The synthesis of mesoporous carbon nanospheres (MCNs), especially with diameters below 200 nm remains a great challenge due to weak interactions between the carbon precursors and soft templates, as well as the uncontrollable cross-linking rate of carbon precursors. Herein, we demonstrate a simple acid-assisted, hydrothermal synthesis approach to synthesizing such uniform MCNs with well controlled diameters ranging from 20 to 150 nm under highly acidic conditions (2 M HCl). Both the carbon precursor and the template are partly protonated under such conditions and show additional Coulombic interactions with chloride ions (acts as mediators). This kind of enhanced interaction is similar to that of the ``I+X-S+'' mechanism in the synthesis of mesoporous metal oxide, which can effectively retard the cross-linking rate of resol molecules and avoid macroscopic phase separation during the hydrothermal synthesis. Due to their uniform spherical morphology, small diameter, and high surface areas, MCNs can be modified with Fe and N species via impregnation of cheap precursors (ferric nitrate and dicyandiamide), which are further converted into nonprecious electrocatalysts for oxygen reduction reactions. The resulting Fe-N/MCNs exhibit high catalytic activities, long-term stability and improved methanol tolerance under alkaline conditions, which can be potentially used in direct methanol fuel cells and metal-air batteries.The synthesis of mesoporous carbon nanospheres (MCNs), especially with diameters below 200 nm remains a great challenge due to weak interactions between the carbon precursors and soft templates, as well as the uncontrollable cross-linking rate of carbon precursors. Herein, we demonstrate a simple acid-assisted, hydrothermal synthesis approach to synthesizing such uniform MCNs with well controlled diameters ranging from 20 to 150 nm under highly acidic conditions (2 M HCl). Both the carbon precursor and the template are partly protonated under such conditions

  6. Voltage manipulation of the magnetization reversal in Fe/n-GaAs/piezoelectric heterostructure

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yuanyuan; Luo, Wengang; Zhu, Lijun; Zhao, Jianhua; Wang, Kaiyou, E-mail: kywang@semi.ac.cn

    2015-02-01

    We carefully investigated the in-plane magnetization reversal and corresponding magnetic domain structures in Fe/n-GaAs/piezoelectric heterostructure using longitudinal magneto-optical Kerr microscopy. The coexistence of the in-plane <100> cubic and [11{sup ¯}0] uniaxial magnetic anisotropy was observed in this system at virgin state. The piezo voltages can effectively manipulate the magnetic properties of the Fe/n-GaAs/piezoelectric heterostructure, where the manipulation of two-jump to one-jump magnetization switching during the magnetic reversal was achieved with magnetic field applied in [100] direction. Our findings on manipulation of ferromagnetization in this heterostructure could be important for future metal-semiconductor spintronic applications. The additional uniaxial anisotropy induced by piezo voltages obtained at ±75 V is ±1.4×10{sup 3} J/m{sup 3}. - Highlights: • In this work, we use piezo voltages not only realize the significant change of coercivity but also effectively manipulate the magnetization transition from one step to two steps during magnetic reversal, indicating that the piezo-voltages can be used to effectively control the magnetization reversal. • The additional uniaxial anisotropy induced by piezo voltages at +/−75 V are +/−1.4×10{sup 3} J/m{sup 3}. This work could be very used for future metal-semiconductor spintronic devices.

  7. Voltage manipulation of the magnetization reversal in Fe/n-GaAs/piezoelectric heterostructure

    International Nuclear Information System (INIS)

    Li, Yuanyuan; Luo, Wengang; Zhu, Lijun; Zhao, Jianhua; Wang, Kaiyou

    2015-01-01

    We carefully investigated the in-plane magnetization reversal and corresponding magnetic domain structures in Fe/n-GaAs/piezoelectric heterostructure using longitudinal magneto-optical Kerr microscopy. The coexistence of the in-plane <100> cubic and [11 ¯ 0] uniaxial magnetic anisotropy was observed in this system at virgin state. The piezo voltages can effectively manipulate the magnetic properties of the Fe/n-GaAs/piezoelectric heterostructure, where the manipulation of two-jump to one-jump magnetization switching during the magnetic reversal was achieved with magnetic field applied in [100] direction. Our findings on manipulation of ferromagnetization in this heterostructure could be important for future metal-semiconductor spintronic applications. The additional uniaxial anisotropy induced by piezo voltages obtained at ±75 V is ±1.4×10 3 J/m 3 . - Highlights: • In this work, we use piezo voltages not only realize the significant change of coercivity but also effectively manipulate the magnetization transition from one step to two steps during magnetic reversal, indicating that the piezo-voltages can be used to effectively control the magnetization reversal. • The additional uniaxial anisotropy induced by piezo voltages at +/−75 V are +/−1.4×10 3 J/m 3 . This work could be very used for future metal-semiconductor spintronic devices

  8. Measurement of 54Fe(n,2n)53Fe cross section near threshold

    International Nuclear Information System (INIS)

    Smither, R.K.; Greenwood, L.R.

    1984-01-01

    A series of experiments were performed at the Princeton Plasma Physics Laboratory to measure the cross section of the 54 Fe(n,2n) 53 Fe reaction near threshold. Measurements were made at 6 different neutron energies and cover the 1 MeV energy range from threshold (13.64 MeV) to 14.64 MeV. The 54 Fe(n,2n) cross section was measured relative to the 27 Al(n,p) 27 Mg cross section to an accuracy of a few percent. These accurate cross-section measurements will be useful in calculating damage caused by 14 MeV D-T plasma neutrons in Fe and calculating the production of the long-lived 53 Mn nuclei that account for much of the buildup of long-lived radioactivity in steel structures and other ferrous materials used in the construction of fusion reactors. They will also play an important part in a new method for measuring the plasma ion temperature of a D-T plasma

  9. Solvated States of Poly-L-alanine alpha-Helix Explored by Raman Optical Activity

    Czech Academy of Sciences Publication Activity Database

    Yamamoto, S.; Furukawa, T.; Bouř, Petr; Ozaki, Y.

    2014-01-01

    Roč. 118, č. 20 (2014), s. 3655-3662 ISSN 1089-5639 R&D Projects: GA ČR GAP208/11/0105 Grant - others:AV ČR(CZ) M200550902 Institutional support: RVO:61388963 Keywords : molecular property tensors * nuclear magnetic resonance * activity spectra Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.693, year: 2014

  10. Fe-N-C electrocatalysts for oxygen reduction reaction synthesized by using aniline salt and Fe3+/H2O2 catalytic system

    KAUST Repository

    Bukola, Saheed; Merzougui, Belabbes A.; Akinpelu, Akeem; Laoui, Tahar; Hedhili, Mohamed N.; Swain, Greg M.; Shao, Minhua

    2014-01-01

    Non-precious metal (NPM) catalysts are synthesized by polymerizing aniline salt using an aqueous Fe3+/H2O2 coupled catalytic system on a carbon matrix with a porous creating agent. The sulfur containing compunds such as ammonium peroxydisulfate, are eliminated in this method resulting in a much simpler process. The catalysts' porous structures are enhanced with ammonium carbonate as a sacrificial material that yields voids when decomposed during the heat treatment at 900 °C in N2 atmosphere. Two catalysts Fe-N-C/Vu and Fe-N-C/KB (Vu = Vulcan and KB = Ketjen black) were synthesized and characterized. Their oxygen reduction reaction (ORR) activities were investigated using a rotating ring-disk electrode (RRDE) in both 0.1 M KOH and 0.1 M HClO4. The catalysts show improved ORR activities close to that of Pt-based catalysts, low H2O2 formation and also demonstrated a remarkable tolerance towards methanol oxidation.

  11. Fe-N-C electrocatalysts for oxygen reduction reaction synthesized by using aniline salt and Fe3+/H2O2 catalytic system

    KAUST Repository

    Bukola, Saheed

    2014-11-01

    Non-precious metal (NPM) catalysts are synthesized by polymerizing aniline salt using an aqueous Fe3+/H2O2 coupled catalytic system on a carbon matrix with a porous creating agent. The sulfur containing compunds such as ammonium peroxydisulfate, are eliminated in this method resulting in a much simpler process. The catalysts\\' porous structures are enhanced with ammonium carbonate as a sacrificial material that yields voids when decomposed during the heat treatment at 900 °C in N2 atmosphere. Two catalysts Fe-N-C/Vu and Fe-N-C/KB (Vu = Vulcan and KB = Ketjen black) were synthesized and characterized. Their oxygen reduction reaction (ORR) activities were investigated using a rotating ring-disk electrode (RRDE) in both 0.1 M KOH and 0.1 M HClO4. The catalysts show improved ORR activities close to that of Pt-based catalysts, low H2O2 formation and also demonstrated a remarkable tolerance towards methanol oxidation.

  12. A first principles calculations of structural, electronic, magnetic and dynamical properties of mononitrides FeN and CoN

    International Nuclear Information System (INIS)

    Soni, Himadri R.; Mankad, Venu; Gupta, Sanjeev K.; Jha, Prafulla K.

    2012-01-01

    Highlights: ► We present spin dependent bandstructure, structural and magnetic moment of FeN/CoN. ► The PDC, PHDOS, spin effect on phonons suggests ZB is preferred at ambient pressure. ► Spin calculation offers an opportunity to understand the role of spin on phonons. - Abstract: Using first principles density functional theoretical calculations, the present paper reports a systematic nonspin and spin polarized total energy calculations of the lattice dynamical and a number of other properties such as band structure, structural and magnetic moment of two mononitrides FeN and CoN. The phonon dispersion curves and phonon density of states in the case of FeN and CoN have been determined for the first time and discussed. The structural and dynamical calculations suggest that the zinc blende structure is preferred at ambient pressure for both compounds. The rocksalt FeN has a nonzero magnetic moment while for FeN in zinc blende phase, it is either zero or very small. The zinc blende phase for both compounds is nonmagnetic. The spin calculation offers an intensive opportunity to understand the role of spin on the phonon properties of two mononitrides. Majority of the modes are sensitive to the effect of spin due to the modification of lattice constant. In this work we reveal that spin modifies the interionic interactions and local structure and leads to a flexible lattice which can be used for the functional materials design.

  13. Determination of the 54Fe(n, 2n)53gFe and 54Fe(n, 2n)53mFe cross sections averaged over a 235U fission neutron spectrum

    International Nuclear Information System (INIS)

    Ribeiro Guevara, S.; Arribere, M.; Kestelman, A.J.

    2002-01-01

    The reaction cross sections averaged over a 235 U fission neutron spectrum have been measured for the 54 Fe(n, 2n) 53g Fe and 54 Fe(n, 2n) 53m Fe threshold reactions. The values found are, respectively: (1.14 ± 0.13) μb, and (0.52 ± 0.16) μb. The measured cross sections are referred to the (111± 3) mb standard cross section of the 58 Ni(n, p) 58m+g Co reaction. The (81.7 ± 2.2) mb standard cross section value for the 54 Fe(n, p) 54 Mn reaction, was also used as a monitor to check the results obtained with the Ni standard, leading to an excellent agreement. (author)

  14. First-Principles Predictions of Vibrational Raman Optical Activity of Globular Proteins

    Czech Academy of Sciences Publication Activity Database

    Kessler, Jiří; Kapitán, J.; Bouř, Petr

    2015-01-01

    Roč. 6, č. 16 (2015), s. 3314-3319 ISSN 1948-7185 R&D Projects: GA ČR GAP208/11/0105; GA ČR GA15-09072S Grant - others:GA MŠk(CZ) LM2010005; GA MŠk(CZ) ED3.2.00/08.0144 Institutional support: RVO:61388963 Keywords : molecular property tensors * activity spectra * spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.539, year: 2015 http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.5b01500

  15. Fe/N/C hollow nanospheres by Fe(iii)-dopamine complexation-assisted one-pot doping as nonprecious-metal electrocatalysts for oxygen reduction

    Science.gov (United States)

    Zhou, Dan; Yang, Liping; Yu, Linghui; Kong, Junhua; Yao, Xiayin; Liu, Wanshuang; Xu, Zhichuan; Lu, Xuehong

    2015-01-01

    In this work, a series of hollow carbon nanospheres simultaneously doped with N and Fe-containing species are prepared by Fe3+-mediated polymerization of dopamine on SiO2 nanospheres, carbonization and subsequent KOH etching of the SiO2 template. The electrochemical properties of the hollow nanospheres as nonprecious-metal electrocatalysts for oxygen reduction reaction (ORR) are characterized. The results show that the hollow nanospheres with mesoporous N-doped carbon shells of ~10 nm thickness and well-dispersed Fe3O4 nanoparticles prepared by annealing at 750 °C (Fe/N/C HNSs-750) exhibit remarkable ORR catalytic activity comparable to that of a commercial 20 wt% Pt/C catalyst, and high selectivity towards 4-electron reduction of O2 to H2O. Moreover, it displays better electrochemical durability and tolerance to methanol crossover effect in an alkaline medium than the Pt/C. The excellent catalytic performance of Fe/N/C HNSs-750 towards ORR can be ascribed to their high specific surface area, mesoporous morphology, homogeneous distribution of abundant active sites, high pyridinic nitrogen content, graphitic nitrogen and graphitic carbon, as well as the synergistic effect of nitrogen and iron species for catalyzing ORR.In this work, a series of hollow carbon nanospheres simultaneously doped with N and Fe-containing species are prepared by Fe3+-mediated polymerization of dopamine on SiO2 nanospheres, carbonization and subsequent KOH etching of the SiO2 template. The electrochemical properties of the hollow nanospheres as nonprecious-metal electrocatalysts for oxygen reduction reaction (ORR) are characterized. The results show that the hollow nanospheres with mesoporous N-doped carbon shells of ~10 nm thickness and well-dispersed Fe3O4 nanoparticles prepared by annealing at 750 °C (Fe/N/C HNSs-750) exhibit remarkable ORR catalytic activity comparable to that of a commercial 20 wt% Pt/C catalyst, and high selectivity towards 4-electron reduction of O2 to H2O

  16. Self-assembled monolayers of bimetallic Au/Ag nanospheres with superior surface-enhanced Raman scattering activity for ultra-sensitive triphenylmethane dyes detection.

    Science.gov (United States)

    Tian, Yue; Zhang, Hua; Xu, Linlin; Chen, Ming; Chen, Feng

    2018-02-15

    The bimetallic Au/Ag self-assembled monolayers (SAMs) were constructed by using mono-dispersed Au/Ag nanospheres (Ag: 4.07%-34.53%) via evaporation-based assembly strategy. The composition-dependent surface-enhanced Raman scattering (SERS) spectroscopy revealed that the Au/Ag (Ag: 16.83%) SAMs provide maximized activity for triphenylmethane dyes detection. With the inter-metallic synergy, the optimized SAMs enable the Raman intensity of crystal violet molecules to be about 223 times higher than that of monometallic Au SAMs. Moreover, the SERS signals with excellent uniformity (<5% variation) are sensitive down to 10 -13   M concentrations because of the optimal matching between bimetallic plasmon resonance and the incident laser wavelength.

  17. Imidazopyridines as a source of biological activity and their pharmacological potentials-Infrared and Raman spectroscopic evidence of their content in pharmaceuticals and plant materials.

    Science.gov (United States)

    Dymińska, Lucyna

    2015-09-15

    Derivatives of imidazopyridine are used in medicinal chemistry due to their biological and pharmaceutical properties. This review article presents imidazopyridine pharmacological activity as antiinflammatory, anticancer, antiviral, antiosteoporotic, antiparasitic, and antihypertensive agents by studying its various synthesized derivatives. Some of compounds with imidazopyridine skeleton are used in psychiatry and autoimmune disorders. The presented data suggest that IR and Raman spectra measurements are a good methods for identification and characterization of the compounds containing imidazopyridine core. Two stretching vibrations: νas(Φ) and νs(Φ) are of a diagnostic importance. The appearance of these bands in the IR and Raman spectra of some plants, tissues and pharmaceuticals confirms the presence of imidazopyridine skeleton in these substances. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Fe-N and (Fe, Ni)-N Fine Powders for Magnetic Recording

    International Nuclear Information System (INIS)

    Chen Ziyu; Li Fashen

    1998-01-01

    Combining Moessbauer spectroscopy with magnetic property measurement, we have studied Fe-N and (Fe, Ni)-N powders for magnetic recording. The typical particles of the core (α-Fe)/shell (γ'-Fe 4 N) structure have been successfully prepared. All the products are stabilized in a multi-organic solution. It has been found that the coercivity can be changed from 300 to 800 Oe by adjusting the shape of the particles. The special saturation magnetization of the particles can be adjusted from 120 to 180emu/g and their chemical stability is improved by substituting nickel for iron in γ'-Fe 4 N. Following experiments for corrosion resistance, it is expected that (Fe, Ni)-N and the core/shell particles will be applied as recording media in the near future

  19. Fe-N and (Fe, Ni)-N Fine Powders for Magnetic Recording

    Energy Technology Data Exchange (ETDEWEB)

    Chen Ziyu; Li Fashen [Lanzhou University, Department of Physics (China)

    1998-12-15

    Combining Moessbauer spectroscopy with magnetic property measurement, we have studied Fe-N and (Fe, Ni)-N powders for magnetic recording. The typical particles of the core ({alpha}-Fe)/shell ({gamma}'-Fe{sub 4}N) structure have been successfully prepared. All the products are stabilized in a multi-organic solution. It has been found that the coercivity can be changed from 300 to 800 Oe by adjusting the shape of the particles. The special saturation magnetization of the particles can be adjusted from 120 to 180emu/g and their chemical stability is improved by substituting nickel for iron in {gamma}'-Fe{sub 4}N. Following experiments for corrosion resistance, it is expected that (Fe, Ni)-N and the core/shell particles will be applied as recording media in the near future.

  20. Magnetic properties of co-modified Fe,N-TiO2 nanocomposites

    Directory of Open Access Journals (Sweden)

    Zolnierkiewicz Grzegorz

    2015-01-01

    Full Text Available Iron and nitrogen co-modified titanium dioxide nanocomposites, nFe,N-TiO2 (where n = 1, 5 and 10 wt% of Fe, were investigated by detailed dc susceptibility and magnetization measurements. Different kinds of magnetic interactions were evidenced depending essentially on iron loading of TiO2. The coexistence of superparamagnetic, paramagnetic and ferromagnetic phases was identified at high temperatures. Strong antiferromagnetic interactions were observed below 50 K, where some part of the nanocomposite entered into a long range antiferromagnetic ordering. Antiferromagnetic interactions were attributed to the magnetic agglomerates of iron-based and trivalent iron ions in FeTiO3 phase,whereas ferromagnetic interactions stemmed from the F-center mediated bound magnetic polarons.

  1. Analysis of the width correlation in 54Fe(nγ)55Fe reaction

    International Nuclear Information System (INIS)

    Knat'ko, V.A.; Shimanovich, E.A.

    1982-01-01

    To find out structural effects manifesting themselves in the form of correlation between widths of different channels of γ decay of levels and violation of Porter-Thomas distribution, calculated are partial widths of levels for 20 high-energy γ transitions in the 54 Fe(nγ) 55 Fe reaction. Calculations are carried out for widths in relation to γ transitions on 8 low p levels of 55 Fe, for 100 sets of partial γ widths (20 widths in a set). Results of analysis of theoretical values of partial γ widths of s resonances are presented in the form of the table. Results, obtained, show that consideration of contributions into γ decay of one-particle-vibrational configurations improve the accordance with experimental data, in comparison with calculations according to the model of valent capture. It is concluded that properties of γ widths of 55 Fe resonances, calculated in studied model, agree satisfactorily with properties of experimental γ widths [ru

  2. Surface-Enhanced Raman Scattering Activity of Ag/graphene/polymer Nanocomposite Films Synthesized by Laser Ablation

    Czech Academy of Sciences Publication Activity Database

    Siljanovska Petreska, G.; Blazevska-Gilev, J.; Fajgar, Radek; Tomovska, R.

    2014-01-01

    Roč. 564, AUG 1 (2014), s. 115-120 ISSN 0040-6090 Grant - others:NATO SfP(US) 984399 Institutional support: RVO:67985858 Keywords : laser ablation * surface-enhanced raman scattering * nanocomposite s * graphene * rhodamine 6G Subject RIV: CH - Nuclear ; Quantum Chemistry Impact factor: 1.759, year: 2014

  3. LD-pumped actively Q-switched c-cut Nd:GdVO4 self-Raman laser operating at 1166 and 1176 nm

    Science.gov (United States)

    Sun, Xinzhi; Zhang, Xihe; Li, Shutao; Dong, Yuan

    2017-12-01

    A laser diode pumped actively Q-switched c-cut Nd:GdVO4 self-Raman laser is experimentally investigated. Simultaneous pulse outputs at 1166 nm and 1176 nm corresponding to the Raman shifts of 807 and 882 cm-1 are acquired. At the pulse repetition frequency (PRF) of 20 kHz, the maximum output power is 103 mW at 1166 nm with the incident pump power of 2.31 W, while 1176 nm output power reaches 530 mW with the incident pump power of 4.11 W. The maximum output power of Raman laser is 570 mW with the incident pump power of 4.11 W and the PRF of 30 kHz. With the incident pump power of 3.67 W and the PRF of 30 kHz, the highest diode-to-Stokes optical conversion efficiency of 14.9% is obtained with the corresponding average output power of 547 mW.

  4. Lattice parameters and Raman-active phonon modes of β-(AlxGa1−x)2O3

    International Nuclear Information System (INIS)

    Kranert, Christian; Jenderka, Marcus; Lenzner, Jörg; Lorenz, Michael; Wenckstern, Holger von; Schmidt-Grund, Rüdiger; Grundmann, Marius

    2015-01-01

    We present X-ray diffraction and Raman spectroscopy investigations of a (100)-oriented (Al x Ga 1–x ) 2 O 3 thin film on MgO (100) and bulk-like ceramics in dependence on their composition. The thin film grown by pulsed laser deposition has a continuous lateral composition spread allowing to determine precisely the dependence of the phonon mode properties and lattice parameters on the chemical composition. For x < 0.4, we observe the single-phase β-modification. Its lattice parameters and phonon energies depend linearly on the composition. We determined the slopes of these dependencies for the individual lattice parameters and for nine Raman lines, respectively. While the lattice parameters of the ceramics follow Vegard's rule, deviations are observed for the thin film. This deviation has only a small effect on the phonon energies, which show a reasonably good agreement between thin film and ceramics

  5. Raman Spectroscopy and its Application in Nanostructures

    CERN Document Server

    Zhang, Shu-Lin

    2012-01-01

    Raman Spectroscopy and its Application in Nanostructures is an original and timely contribution to a very active area of physics and materials science research. This book presents the theoretical and experimental phenomena of Raman spectroscopy, with specialized discussions on the physical fundamentals, new developments and main features in low-dimensional systems of Raman spectroscopy. In recent years physicists, materials scientists and chemists have devoted increasing attention to low-dimensional systems and as Raman spectroscopy can be used to study and analyse such materials as carbon nan

  6. Modeling thermodynamics of Fe-N phases; characterisation of e-Fe2N1-z

    DEFF Research Database (Denmark)

    Pekelharing, M.I.; Böttger, A.; Somers, Marcel A.J.

    1999-01-01

    In order to arrive at modeling the thermodynamics of Fe-N phases, including long-range (LRO) and short-range ordering (SRO) of the N atoms, it is important to understand the role of N interstitially dissolved in an Fe-host lattice. The crystal structure of -Fe2N1-z consists of an h.c.p. iron...... sublattice and a hexagonal nitrogen sublattice formed by octahedral interstices of the Fe sublattice [1]. Two ground-state structures have been proposed for the ordered arrangement of the N atoms on their own sublattice [1], which were shown to be thermodynamically favourable [2]: configuration A for Fe2N1...... investigated with X-ray diffraction (XRD) and Mössbauer spectroscopy. A thermodynamic model accounting for the two configurations of LRO of the N atoms [2,3] was fitted to the N-absorption isotherm at 723 K and resulted in the occupancies of the sites of the nitrogen sublattice. A miscibility gap between...

  7. Precise measurement of the neutron capture reaction 54Fe(n,γ)55Fe via AMS

    International Nuclear Information System (INIS)

    Wallner, A; Buczak, K; Forstner, O; Golser, R; Kutschera, W; Lederer, C; Priller, A; Steier, P; Belgya, T; Szentmiklosi, L; Bichler, M; Coquard, L; Dillmann, I; Kaeppeler, F; Mengoni, A; Reifarth, R

    2010-01-01

    The measurement of cross sections relevant to nuclear astrophysics has become one main research topic at the VERA (Vienna Environmental Research Accelerator) facility. The technique applied, accelerator mass spectrometry (AMS), offers excellent sensitivity for the detection of long-lived radionuclides through ultra-low isotope ratio measurements. We discuss the potential and preliminary results of ongoing precision measurements of neutron-capture cross sections of 54 Fe. Such measurements might help to clarify the recently found discrepancy of s-process nucleosynthesis at lower-mass nuclei (A 55 Fe (t 1/2 = 2.72 yr) was analyzed using AMS. At VERA, detection of 55 Fe was developed with a reproducibility of about 1%, which makes the 54 Fe(n,γ) 55 Fe reaction a precise and unique laboratory measurement, which can serve as a reference to complementary techniques. In this regard a new 55 Fe standard for AMS measurements was produced. The final cross-section data are expected to be accurate to better than 3%. We report a preliminary, however, already significantly improved thermal neutron cross section value of (2.32 ± 0.10) barn, and a value of (6.3 ± 0.6) mbarn for E n = (520 ± 50) keV.

  8. Visible light photocatalysts (Fe, N):TiO{sub 2} from ammonothermally processed, solvothermal self-assembly derived Fe-TiO{sub 2} mesoporous microspheres

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Mingming; Xiong, Fengqiang; Ganeshraja, Ayyakannu Sundaram [Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, Liaoning, 116023 (China); Feng, Xiaohua; Wang, Chuanxi [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, 315201 (China); Thomas, Tiju, E-mail: tijuthomas@iitm.ac.in [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Madras, Chennai, 600036, Tamil Nadu (India); Yang, Minghui, E-mail: myang@dicp.ac.cn [Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, Liaoning, 116023 (China)

    2017-07-01

    Iron (III) and nitrogen co-doped mesoporous TiO{sub 2} microspheres (Fe-N-TiO{sub 2}) are prepared using a self-assembly based solvothermal process followed by an ammonothermal method. Among all samples, 1 mol.% of Fe dopants and 500 °C nitridation (for 2 h) gives the highest visible light photoactivity. Results imply that the Fe{sup 3+}/Fe{sup 2+} dopant trap energy level introduced within the band gap in mildly Fe (∼1 at%) doped TiO{sub 2} and the mesoporous nature of the material, both aid in the observed catalytic performance. Subjecting Fe-TiO{sub 2} samples to ammonothermal process induces oxygen vancancies, and substitutional and interstitial N. This reduces optical band gap, and introduces local states. The lower band gap and local states together aid in the absorption of visible light and separation of charge carriers. Co-dopants are distributed uniformly in the best photocatalysts. The active species generated in the photocatalytic system is shown to be singlet molecular oxygen ({sup 1}O{sub 2}) using selective radical quenchers. - Highlights: • Iron (III) and nitrogen co-doped mesoporous TiO{sub 2} microspheres (Fe-N-TiO{sub 2}) are prepared. • Fe{sup 3+}/Fe{sup 2+} dopant trap energy level introduced within the band gap in Fe (∼1 at%) doped TiO{sub 2}. • Subjecting Fe-TiO{sub 2} samples to ammonothermal process induces oxygen vancancies, and causes substitutional and interstitial N. • Co-dopants are distributed uniformly in the best photocatalysts. • Active species generated is shown to be singlet molecular oxygen ({sup 1}O{sub 2}).

  9. Effect of pressure on the Raman-active modes of zircon (ZrSiO4): a first-principles study

    Science.gov (United States)

    Sheremetyeva, Natalya; Cherniak, Daniele J.; Watson, E. Bruce; Meunier, Vincent

    2018-02-01

    Density-functional theory (DFT) was employed in a first-principles study of the effects of pressure on the Raman-active modes of zircon (ZrSiO4), using both the generalized gradient and local density approximations (GGA and LDA, respectively). Beginning with the equilibrium structure at zero pressure, we conducted a calibration of the effect of pressure in a manner procedurally similar to an experimental calibration. For pressures between 0 and 7 GPa, we find excellent qualitative agreement of frequency-pressure slopes partial ω /partial P calculated from GGA DFT with results of previous experimental studies. In addition, we were able to rationalize the ω vs. P behavior based on details of the vibrational modes and their atomic displacements. Most of the partial ω /partial P slopes are positive as expected, but the symmetry of the zircon lattice also results in two negative slopes for modes that involve slight shearing and rigid rotation of SiO4 tetrahedra. Overall, LDA yields absolute values of the frequencies of the Raman-active modes in good agreement with experimental values, while GGA reproduces the shift in frequency with pressure especially well.

  10. Structural dynamics of phenylisothiocyanate in the light-absorbing excited states: Resonance Raman and complete active space self-consistent field calculation study

    International Nuclear Information System (INIS)

    Ouyang, Bing; Xue, Jia-Dan; Zheng, Xuming; Fang, Wei-Hai

    2014-01-01

    The excited state structural dynamics of phenyl isothiocyanate (PITC) after excitation to the light absorbing S 2 (A′), S 6 (A′), and S 7 (A′) excited states were studied by using the resonance Raman spectroscopy and complete active space self-consistent field method calculations. The UV absorption bands of PITC were assigned. The vibrational assignments were done on the basis of the Fourier transform (FT)-Raman and FT-infrared measurements, the density-functional theory computations, and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohexane, acetonitrile, and methanol solvents were, respectively, obtained at 299.1, 282.4, 266.0, 252.7, 228.7, 217.8, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PITC. The results indicated that the structural dynamics in the S 2 (A′), S 6 (A′), and S 7 (A′) excited states were very different. The conical intersection point CI(S 2 /S 1 ) were predicted to play important role in the low-lying excited state decay dynamics. Two major decay channels were predicted for PITC upon excitation to the S 2 (A′) state: the radiative S 2,min → S 0 transition and the nonradiative S 2 → S 1 internal conversion via CI(S 2 /S 1 ). The differences in the decay dynamics between methyl isothiocyanate and PITC in the first light absorbing excited state were discussed. The role of the intersystem crossing point ISC(S 1 /T 1 ) in the excited state decay dynamics of PITC is evaluated

  11. Introductory Raman spectroscopy

    CERN Document Server

    Ferraro, John R

    2012-01-01

    Praise for Introductory Raman Spectroscopy Highlights basic theory, which is treated in an introductory fashion Presents state-of-the-art instrumentation Discusses new applications of Raman spectroscopy in industry and research.

  12. Detoxification of gold nanorods by conjugation with thiolated poly(ethylene glycol) and their assessment as SERS-active carriers of Raman tags

    Energy Technology Data Exchange (ETDEWEB)

    Boca, Sanda C; Astilean, Simion, E-mail: sboca@phys.ubbcluj.ro, E-mail: sastil@phys.ubbcluj.ro [Nanobiophotonics Center, Institute for Interdisciplinary Research in Nanobioscience, Babes-Bolyai University, Treboniu Laurian Street 42, 400271 Cluj-Napoca (Romania)

    2010-06-11

    We present an effective, low cost protocol to reduce the toxicity of gold nanorods induced by the presence of cetyltrimethylammonium bromide (CTAB) on their lateral surface as a result of the synthesis process. Here, we use thiolated methoxy-poly(ethylene) glycol (mPEG-SH) polymer to displace most of the CTAB bilayer cap from the particle surface. The detoxification process, chemical and structural stability of as-prepared mPEG-SH-conjugated gold nanorods were characterized using a number of techniques including localized surface plasmon resonance (LSPR), transmission electron microscopy (TEM) and surface-enhanced Raman spectroscopy (SERS). In view of future applications as near-infrared (NIR) nanoheaters in localized photothermal therapy of cancer, we investigated the thermal behaviour of mPEG-SH-conjugated gold nanorods above room temperature. We found a critical temperature at around 40 deg. C at which the adsorbed polymer layer is susceptible to undergo conformational changes. Additionally, we believe that such plasmonic nanoprobes could act as SERS-active carriers of Raman tags for application in cellular imaging. In this sense we successfully tested them as effective SERS substrates at 785 nm laser line with p-aminothiophenol (pATP) as a tag molecule.

  13. Detoxification of gold nanorods by conjugation with thiolated poly(ethylene glycol) and their assessment as SERS-active carriers of Raman tags

    Science.gov (United States)

    Boca, Sanda C.; Astilean, Simion

    2010-06-01

    We present an effective, low cost protocol to reduce the toxicity of gold nanorods induced by the presence of cetyltrimethylammonium bromide (CTAB) on their lateral surface as a result of the synthesis process. Here, we use thiolated methoxy-poly(ethylene) glycol (mPEG-SH) polymer to displace most of the CTAB bilayer cap from the particle surface. The detoxification process, chemical and structural stability of as-prepared mPEG-SH-conjugated gold nanorods were characterized using a number of techniques including localized surface plasmon resonance (LSPR), transmission electron microscopy (TEM) and surface-enhanced Raman spectroscopy (SERS). In view of future applications as near-infrared (NIR) nanoheaters in localized photothermal therapy of cancer, we investigated the thermal behaviour of mPEG-SH-conjugated gold nanorods above room temperature. We found a critical temperature at around 40 °C at which the adsorbed polymer layer is susceptible to undergo conformational changes. Additionally, we believe that such plasmonic nanoprobes could act as SERS-active carriers of Raman tags for application in cellular imaging. In this sense we successfully tested them as effective SERS substrates at 785 nm laser line with p-aminothiophenol (pATP) as a tag molecule.

  14. Detoxification of gold nanorods by conjugation with thiolated poly(ethylene glycol) and their assessment as SERS-active carriers of Raman tags

    International Nuclear Information System (INIS)

    Boca, Sanda C; Astilean, Simion

    2010-01-01

    We present an effective, low cost protocol to reduce the toxicity of gold nanorods induced by the presence of cetyltrimethylammonium bromide (CTAB) on their lateral surface as a result of the synthesis process. Here, we use thiolated methoxy-poly(ethylene) glycol (mPEG-SH) polymer to displace most of the CTAB bilayer cap from the particle surface. The detoxification process, chemical and structural stability of as-prepared mPEG-SH-conjugated gold nanorods were characterized using a number of techniques including localized surface plasmon resonance (LSPR), transmission electron microscopy (TEM) and surface-enhanced Raman spectroscopy (SERS). In view of future applications as near-infrared (NIR) nanoheaters in localized photothermal therapy of cancer, we investigated the thermal behaviour of mPEG-SH-conjugated gold nanorods above room temperature. We found a critical temperature at around 40 deg. C at which the adsorbed polymer layer is susceptible to undergo conformational changes. Additionally, we believe that such plasmonic nanoprobes could act as SERS-active carriers of Raman tags for application in cellular imaging. In this sense we successfully tested them as effective SERS substrates at 785 nm laser line with p-aminothiophenol (pATP) as a tag molecule.

  15. Noticeable red emission and Raman active modes in nanoscale gadolinium oxyfluoride (Gd4O3F6) systems with Eu3+ inclusion

    International Nuclear Information System (INIS)

    Hazarika, Samiran; Mohanta, Dambarudhar

    2017-01-01

    Eu 3+ doped gadolinium oxyfluoride (Gd 4 O 3 F 6 , GOF) nanoscale systems have been synthesized following a modified Pechini method. While exhibiting a tetragonal crystal structure, the GOF nanosystem gave an average crystallite size (d) of ∝21-26 nm. The Lotgering factor (L F ), which is a measure of orientation of crystallites along the preferred direction was found to vary between 0.22 and 0.48. In the photoluminescence spectra, ∝595 and ∝613 nm peaks were identified as magnetically driven ( 5 D 0 → 7 F 1 ) and electrically driven ( 5 D 0 → 7 F 2 ) transitions with latter (red emission) being strongly manifested with Eu 3+ doping concentration and intrinsic defects. Moreover, several Raman active modes have been probed in the Raman spectra with low frequency peaks (<300 cm -1 ) and moderate frequency peaks (∝481 and 567 cm -1 ) assigned to observable vibration of heavy atom Gd-Gd pairs and Gd-O groups, respectively. Apart from manifestation of phononic features, inclusion of Eu 3+ in the host lattice would bring new insight on improving the red emission response prior to concentration quenching. (orig.)

  16. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of O-desmethyltramadol hydrochloride an active metabolite in tramadol - An analgesic drug

    Science.gov (United States)

    Arjunan, V.; Santhanam, R.; Marchewka, M. K.; Mohan, S.

    2014-03-01

    O-desmethyltramadol is one of the main metabolites of tramadol widely used clinically and has analgesic activity. The FTIR and FT-Raman spectra of O-desmethyl tramadol hydrochloride are recorded in the solid phase in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The observed fundamentals are assigned to different normal modes of vibration. Theoretical studies have been performed as its hydrochloride salt. The structure of the compound has been optimised with B3LYP method using 6-31G** and cc-pVDZ basis sets. The optimised bond length and bond angles are correlated with the X-ray data. The experimental wavenumbers were compared with the scaled vibrational frequencies determined by DFT methods. The IR and Raman intensities are determined with B3LYP method using cc-pVDZ and 6-31G(d,p) basic sets. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/cc-pVDZ method to display electrostatic potential (electron + nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of O-desmethyltramadol hydrochloride has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR chemical shifts of the molecule have been anlysed.

  17. Focused-ion-beam-fabricated Au nanorods coupled with Ag nanoparticles used as surface-enhanced Raman scattering-active substrate for analyzing trace melamine constituents in solution

    International Nuclear Information System (INIS)

    Sivashanmugan, Kundan; Liao, Jiunn-Der; Liu, Bernard Haochih; Yao, Chih-Kai

    2013-01-01

    Graphical abstract: -- Highlights: •Well-ordered Au-nanorod array with a controlled tip ring diameter (Au N Rs d ) is made by focused ion beam. •Au N Rs d coupled with Ag nanoparticles (Ag NPs/Au N Rs d ) is competent to sense target molecules in a solution. •Ag NPs/Au N Rs d SERS active substrate can detect a single molecule of crystal violet. •Ag NPs/Au N Rs d as a SERS-active substrate can distinguish melamine contaminants at low concentrations (e.g., 10 −12 M). -- Abstract: A well-ordered Au-nanorod array with a controlled tip ring diameter (Au N Rs d ) was fabricated using the focused ion beam method. Au N Rs d was then coupled with Ag nanoparticles (Ag NPs) to bridge the gaps among Au nanorods. The effect of surface-enhanced Raman scattering (SERS) on Au N Rs d and Ag NPs/Au N Rs d was particularly verified using crystal violet (CV) as the molecular probe. Raman intensity obtained from a characteristic peak of CV on Au N Rs d was estimated by an enhancement factor of ≈10 7 in magnitude, which increased ≈10 12 in magnitude for that on Ag NPs/Au N Rs d . A highly SERS-active Ag NPs/Au N Rs d was furthermore applied for the detection of melamine (MEL) at very low concentrations. Raman-active peaks of MEL (10 −3 to 10 −12 M) in water or milk solution upon Au N Rs d or Ag NPs/Au N Rs d were well distinguished. The peaks at 680 and 702 cm −1 for MEL molecules were found suitable to be used as the index for sensing low-concentration MEL in a varied solution, while that at 1051 cm −1 was practical to interpret MEL molecules in water or milk solution bonded with Au (i.e., Au N Rs d ) or Ag (i.e., Ag NPs/Au N Rs d ) surface. At the interface of Ag NPs/Au N Rs d and MEL molecules in milk solution, a laser-induced electromagnetic field or hotspot effect was produced and competent to sense low-concentration MEL molecules interacting with Ag and Au surfaces. Accordingly, Ag NPs/Au N Rs d is very promising to be used as a fast and sensitive tool for

  18. Optimized geometry, vibration (IR and Raman spectra and nonlinear optical activity of p-nitroanilinium perchlorate molecule: A theoretical study

    Directory of Open Access Journals (Sweden)

    Tamer Ömer

    2016-03-01

    Full Text Available The molecular modeling of p-nitroanilinium perchlorate molecule was carried out by using B3LYP and HSEH1PBE levels of density functional theory (DFT. The IR and Raman spectra were simulated and the assignments of vibrational modes were performed on the basis of relative contribution of various internal co-ordinates. NBO analysis was performed to demonstrate charge transfer, conjugative interactions and the formation of intramolecular hydrogen bonding interactions within PNAPC. Obtained large dipole moment values showed that PNAPC is a highly polarizable complex, and the charge transfer occurs within PNAPC. Hydrogen bonding and charge transfer interactions were also displayed by small HOMO-LUMO gap and molecular electrostatic potential (MEP surface. The strong evidences that the material can be used as an efficient nonlinear optical (NLO material of PNAPC were demonstrated by considerable polarizability and hyperpolarizability values obtained at DFT levels.

  19. Mode-dependent dispersion in Raman line shapes: Observation and implications from ultrafast Raman loss spectroscopy

    International Nuclear Information System (INIS)

    Umapathy, S.; Mallick, B.; Lakshmanna, A.

    2010-01-01

    Ultrafast Raman loss spectroscopy (URLS) enables one to obtain the vibrational structural information of molecular systems including fluorescent materials. URLS, a nonlinear process analog to stimulated Raman gain, involves a narrow bandwidth picosecond Raman pump pulse and a femtosecond broadband white light continuum. Under nonresonant condition, the Raman response appears as a negative (loss) signal, whereas, on resonance with the electronic transition the line shape changes from a negative to a positive through a dispersive form. The intensities observed and thus, the Franck-Condon activity (coordinate dependent), are sensitive to the wavelength of the white light corresponding to a particular Raman frequency with respect to the Raman pump pulse wavelength, i.e., there is a mode-dependent response in URLS.

  20. Resonance Raman study on the structure of the active sites of microsomal cytochrome P-450 isozymes LM2 and LM4.

    Science.gov (United States)

    Hildebrandt, P; Greinert, R; Stier, A; Taniguchi, H

    1989-12-08

    The isozymes 2 and 4 of rabbit microsomal cytochrome P-450 (LM2, LM4) have been studied by resonance Raman spectroscopy. Based on high quality spectra, a vibrational assignment of the porphyrin modes in the frequency range between 100-1700 cm-1 is presented for different ferric states of cytochrome P-450 LM2 and LM4. The resonance Raman spectra are interpreted in terms of the spin and ligation state of the heme iron and of heme-protein interactions. While in cytochrome P-450 LM2 the six-coordinated low-spin configuration is predominantly occupied, in the isozyme LM4 the five-coordinated high-spin form is the most stable state. The different stability of these two spin configurations in LM2 and LM4 can be attributed to the structures of the active sites. In the low-spin form of the isozymes LM4 the protein matrix forces the heme into a more rigid conformation than in LM2. These steric constraints are removed upon dissociation of the sixth ligand leading to a more flexible structure of the active site in the high-spin form of the isozyme LM4. The vibrational modes of the vinyl groups were found to be characteristic markers for the specific structures of the heme pockets in both isozymes. They also respond sensitively to type-I substrate binding. While in cytochrome P-450 LM4 the occupation of the substrate-binding pocket induces conformational changes of the vinyl groups, as reflected by frequency shifts of the vinyl modes, in the LM2 isozyme the ground-state conformation of these substituents remain unaffected, suggesting that the more flexible heme pocket can accommodate substrates without imposing steric constraints on the porphyrin. The resonance Raman technique makes structural changes visible which are induced by substrate binding in addition and independent of the changes associated with the shift of the spin state equilibrium: the high-spin states in the substrate-bound and substrate-free enzyme are structurally different. The formation of the inactive form

  1. Laser-Raman spectroscopy of living cells

    International Nuclear Information System (INIS)

    Webb, S.J.

    1980-01-01

    Investigations into the laser-Raman shift spectra of bacterial and mammalian cells have revealed that many Raman lines observed at 4-6 K, do not appear in the spectra of cells held at 300 K. At 300 K, Raman activity, at set frequencies, is observed only when the cells are metabolically active; however, the actual live cell spectrum, between 0 and 3400 cm -1 , has been found to alter in a specific way with time as the cells' progress through their life cycles. Lines above 300 cm -1 , from in vivo Raman active states, appear to shift to higher wave numbers whereas those below 300 cm -1 seem to shift to lower ones. The transient nature of many shift lines observed and the intensity of them when present in the spectrum indicates that, in, vivo, a metabolically induced condensation of closely related states occurs at a set time in the life of a living cell. In addition, the calculated ratio between the intensities of Stokes and anti-Stokes lines observed suggests that the metabolically induced 'collective' Raman active states are produced, in vivo, by non thermal means. It appears, therefore, that the energetics of the well established cell 'time clock' may be studied by laser-Raman spectroscopy; moreover, Raman spectroscopy may yield a new type of information regarding the physics of such biological phenomena as nutrition, virus infection and oncogenesis. (orig.)

  2. Surface enhanced raman spectroscopy on chip

    DEFF Research Database (Denmark)

    Hübner, Jörg; Anhøj, Thomas Aarøe; Zauner, Dan

    2007-01-01

    In this paper we report low resolution surface enhanced Raman spectra (SERS) conducted with a chip based spectrometer. The flat field spectrometer presented here is fabricated in SU-8 on silicon, showing a resolution of around 3 nm and a free spectral range of around 100 nm. The output facet...... is projected onto a CCD element and visualized by a computer. To enhance the otherwise rather weak Raman signal, a nanosurface is prepared and a sample solutions is impregnated on this surface. The surface enhanced Raman signal is picked up using a Raman probe and coupled into the spectrometer via an optical...... fiber. The obtained spectra show that chip based spectrometer together with the SERS active surface can be used as Raman sensor....

  3. Confocal Raman Microscopy

    CERN Document Server

    Dieing, Thomas; Toporski, Jan

    2011-01-01

    Confocal Raman Microscopy is a relatively new technique that allows chemical imaging without specific sample preparation. By integrating a sensitive Raman spectrometer within a state-of-the-art microscope, Raman microscopy with a spatial resolution down to 200nm laterally and 500nm vertically can be achieved using visible light excitation. Recent developments in detector and computer technology as well as optimized instrument design have reduced integration times of Raman spectra by orders of magnitude, so that complete images consisting of tens of thousands of Raman spectra can be acquired in seconds or minutes rather than hours, which used to be standard just one decade ago. The purpose of this book is to provide the reader a comprehensive overview of the rapidly developing field of Confocal Raman Microscopy and its applications.

  4. Synthesis of silver/silver chloride/graphene oxide composite and its surface-enhanced Raman scattering activity and self-cleaning property

    Science.gov (United States)

    Zhao, Nan; Fei, Xiao; Cheng, Xiaonong; Yang, Juan

    2017-09-01

    Recently, silver nanoparticles decorated with graphene and graphene oxide (GO) sheets can be employed as surface-enhanced Raman scattering (SERS) substrates. However, their SERS activity on macromolecular compound detection is all one-time process. In order to solve this issue and decrease the cost of routine SERS detection, silver/silver chloride (Ag/AgCl) with photocatalytic activity under visible light was introduced. In this study, a novel, simple and clean approach is carried out for synthesis of the Ag/AgCl/GO composite. The Ag/AgCl colloidal solution is obtained by hydrothermal method and then mixed with GO solution to obtain the Ag/AgCl/GO composite using a facile electrostatic self-assembly method. Results showed that the Ag/AgCl/GO composite has the optimized SERS activity to Rhodamine 6G molecules with the maximum enhancement factor value of 3.8×107. Furthermore, the Ag/AgCl particles with high efficient and stable photocatalytic activity under visible light lead to an outstanding self-cleaning property of the Ag/AgCl/GO composite.

  5. Stabilization of silver nanoparticles in nonanoic acid: A temperature activated conformation reaction observed with surface enhanced Raman spectroscopy

    International Nuclear Information System (INIS)

    Henneke, Dale E.; Malyavanatham, Gokul; Kovar, Desiderio; O'Brien, D.T.; Becker, M.F.; Nichols, William T.; Keto, J.W.

    2003-01-01

    Silver nanoparticles were synthesized by ultraviolet (λ=248 nm) laser ablation of an aerosol of micron-sized source particles entrained in nitrogen. As a result of thermionic electron emission and photoionization, nanoparticles produced in this manner were highly charged. The resulting aerosol was primarily composed of nanometer sized particles. The charged nanoparticles were deflected by an electric field that was perpendicular to the aerosol flow. Deflected nanoparticles were deposited directly into n-nonanoic acid flowing along the negative collection electrode. Suspensions of nanoparticles collected in this manner were dark gray in color and were found to be flocculated. When the suspensions were heated to temperatures above 75 deg. C, a color change from gray to clear was observed. Ultraviolet/visible extinction spectroscopy was performed on each suspension following annealing at different temperatures and times. By modeling the absorption decrease as a first order reaction, a good fit for the data was found. Analysis by dynamic light scattering (DLS) showed that the initial mean flocculent size of the gray suspensions was 602 nm. DLS analysis of the suspensions taken at different annealing intervals showed that the flocculent size decreased, but maintained a narrow size distribution until the size shrank below the instrument resolution limit. The reduction in flocculent size coincided with the observed color change, and an irreversible transition to a deflocculated primary nanoparticle suspension is observed. Surface enhanced Raman scattering is used to confirm that the reaction results from a change in the orientation of the nonanoic molecule on the surface of the nanoparticle

  6. A highly sensitive nanoscale pH-sensor using Au nanoparticles linked by a multifunctional Raman-active reporter molecule.

    Science.gov (United States)

    Lawson, Latevi S; Chan, James W; Huser, Thomas

    2014-07-21

    Chemical sensing on the nanoscale has been breaking new ground since the discovery of surface enhanced Raman scattering (SERS). For nanoparticles, controlled particle aggregation is necessary to achieve the largest SERS enhancements. Therefore, aggregating agents such as salts or linker molecules are used in conjunction with chemically sensitive reporters in order to develop robust environmentally sensitive SERS probes. While salt-induced colloidal nanosphere aggregates have produced robust SERS signals, their variability in aggregate size contributes significantly to poor SERS signal reproducibility, which can complicate their use in in vitro cellular studies. Such systems often also lack reproducibility in spectral measurements between different nanoparticle clusters. Preaggregation of colloids via linkers followed by surface functionalization with reporter molecules results in the linker occupying valuable SERS hotspot volume which could otherwise be utilized by additional reporter molecules. Ideally, both functionalities should be obtained from a single molecule. Here, we report the use of 3,5-dimercaptobenzoic acid, a single multifunctional molecule that creates SERS hotspots via the controlled aggregation of nanoparticles, and also reports pH values. We show that 3,5-dimercaptobenzoic acid bound to Au nanospheres results in an excellent pH nanoprobe, producing very robust, and highly reproducible SERS signals that can report pH across the entire physiological range with excellent pH resolution. To demonstrate the efficacy of our novel pH reporters, these probes were also used to image both the particle and pH distribution in the cytoplasm of human induced pluripotent stem cells (hiPSCs).

  7. Characterization of excited electronic states of naphthalene by resonance Raman and hyper-Raman scattering

    International Nuclear Information System (INIS)

    Bonang, C.C.; Cameron, S.M.

    1992-01-01

    The first resonance Raman and hyper-Raman scattering from naphthalene are reported. Fourth harmonic of a mode-locked Nd:YAG laser is used to resonantly excite the 1 B 1u + transition, producing Raman spectra that confirm the dominance of the vibronically active ν 28 (b 3g ) mode and the Franck--Condon active a g modes, ν 5 and ν 3 . A synchronously pumped stilbene dye laser and its second harmonic are employed as the excitation sources for hyper-Raman and Raman scattering from the overlapping 1 B 2 u + and 1 A g - states. The Raman spectra indicate that the equilibrium geometry of naphthalene is distorted primarily along ν 5 , ν 8 , and ν 7 normal coordinates upon excitation to 1 B 2 u + . The hyper-Raman spectrum shows that ν 25 (b 2u ) is the mode principally responsible for vibronic coupling between the 1 A g - and 1 B 2u + states. The results demonstrate the advantageous features of resonance hyper-Raman scattering for the case of overlapping one- and two-photon allowed transitions. Calculations based on simple molecular orbital configurations are shown to qualitatively agree with the experimental results

  8. Alignment characterization of single-wall carbon nanotubes by Raman scattering

    International Nuclear Information System (INIS)

    Liu Pijun; Liu Liyue; Zhang Yafei

    2003-01-01

    A novel method for identifying the Raman modes of single-wall carbon nanotubes (SWNT) based on the symmetry of the vibration modes has been studied. The Raman intensity of each vibration mode varies with polarization direction, and the relationship can be expressed as analytical functions. This method avoids troublesome numerical calculation and easily gives clear relations between Raman intensity and polarization direction. In this way, one can distinguish each Raman-active mode of SWNT through the polarized Raman spectrum

  9. Nanoporous active carbons at ambient conditions: a comparative study using X-ray scattering and diffraction, Raman spectroscopy and N2 adsorption

    Science.gov (United States)

    Shiryaev, A. A.; Voloshchuk, A. M.; Volkov, V. V.; Averin, A. A.; Artamonova, S. D.

    2017-05-01

    Furfural-derived sorbents and activated carbonaceous fibers were studied using Small- and Wide-angle X-ray scattering (SWAXS), X-ray diffraction and multiwavelength Raman spectroscopy after storage at ambient conditions. Correlations between structural features with degree of activation and with sorption parameters are observed for samples obtained from a common precursor and differing in duration of activation. However, the correlations are not necessarily applicable to the carbons obtained from different precursors. Using two independent approaches we show that treatment of SWAXS results should be performed with careful analysis of applicability of the Porod law to the sample under study. In general case of a pore with rough/corrugated surface deviations from the Porod law may became significant and reflect structure of the pore-carbon interface. Ignorance of these features may invalidate extraction of closed porosity values. In most cases the pore-matrix interface in the studied samples is not atomically sharp, but is characterized by 1D or 2D fluctuations of electronic density responsible for deviations from the Porod law. Intensity of the pores-related small-angle scattering correlates positively with SBET values obtained from N2 adsorption.

  10. Nanoporous active carbons at ambient conditions: a comparative study using X-ray scattering and diffraction, Raman spectroscopy and N2 adsorption

    International Nuclear Information System (INIS)

    Shiryaev, A A; Voloshchuk, A M; Averin, A A; Artamonova, S D.; Volkov, V V

    2017-01-01

    Furfural-derived sorbents and activated carbonaceous fibers were studied using Small- and Wide-angle X-ray scattering (SWAXS), X-ray diffraction and multiwavelength Raman spectroscopy after storage at ambient conditions. Correlations between structural features with degree of activation and with sorption parameters are observed for samples obtained from a common precursor and differing in duration of activation. However, the correlations are not necessarily applicable to the carbons obtained from different precursors. Using two independent approaches we show that treatment of SWAXS results should be performed with careful analysis of applicability of the Porod law to the sample under study. In general case of a pore with rough/corrugated surface deviations from the Porod law may became significant and reflect structure of the pore-carbon interface. Ignorance of these features may invalidate extraction of closed porosity values. In most cases the pore-matrix interface in the studied samples is not atomically sharp, but is characterized by 1D or 2D fluctuations of electronic density responsible for deviations from the Porod law. Intensity of the pores-related small-angle scattering correlates positively with S BET values obtained from N 2 adsorption. (paper)

  11. Raman tensor elements of β-Ga2O3.

    Science.gov (United States)

    Kranert, Christian; Sturm, Chris; Schmidt-Grund, Rüdiger; Grundmann, Marius

    2016-11-03

    The Raman spectrum and particularly the Raman scattering intensities of monoclinic β-Ga 2 O 3 are investigated by experiment and theory. The low symmetry of β-Ga 2 O 3 results in a complex dependence of the Raman intensity for the individual phonon modes on the scattering geometry which is additionally affected by birefringence. We measured the Raman spectra in dependence on the polarization direction for backscattering on three crystallographic planes of β-Ga 2 O 3 and modelled these dependencies using a modified Raman tensor formalism which takes birefringence into account. The spectral position of all 15 Raman active phonon modes and the Raman tensor elements of 13 modes were determined and are compared to results from ab-initio calculations.

  12. Focused-ion-beam-fabricated Au nanorods coupled with Ag nanoparticles used as surface-enhanced Raman scattering-active substrate for analyzing trace melamine constituents in solution

    Energy Technology Data Exchange (ETDEWEB)

    Sivashanmugan, Kundan [Department of Materials Science and Engineering, National Cheng Kung University, 1 University Road, Tainan 70101, Taiwan (China); Liao, Jiunn-Der, E-mail: jdliao@mail.ncku.edu.tw [Department of Materials Science and Engineering, National Cheng Kung University, 1 University Road, Tainan 70101, Taiwan (China); Center for Micro/Nano Science and Technology, National Cheng Kung University, 1 University Road, Tainan 70101, Taiwan (China); Liu, Bernard Haochih; Yao, Chih-Kai [Department of Materials Science and Engineering, National Cheng Kung University, 1 University Road, Tainan 70101, Taiwan (China)

    2013-10-24

    Graphical abstract: -- Highlights: •Well-ordered Au-nanorod array with a controlled tip ring diameter (Au{sub N}Rs{sub d}) is made by focused ion beam. •Au{sub N}Rs{sub d} coupled with Ag nanoparticles (Ag NPs/Au{sub N}Rs{sub d}) is competent to sense target molecules in a solution. •Ag NPs/Au{sub N}Rs{sub d} SERS active substrate can detect a single molecule of crystal violet. •Ag NPs/Au{sub N}Rs{sub d} as a SERS-active substrate can distinguish melamine contaminants at low concentrations (e.g., 10{sup −12} M). -- Abstract: A well-ordered Au-nanorod array with a controlled tip ring diameter (Au{sub N}Rs{sub d}) was fabricated using the focused ion beam method. Au{sub N}Rs{sub d} was then coupled with Ag nanoparticles (Ag NPs) to bridge the gaps among Au nanorods. The effect of surface-enhanced Raman scattering (SERS) on Au{sub N}Rs{sub d} and Ag NPs/Au{sub N}Rs{sub d} was particularly verified using crystal violet (CV) as the molecular probe. Raman intensity obtained from a characteristic peak of CV on Au{sub N}Rs{sub d} was estimated by an enhancement factor of ≈10{sup 7} in magnitude, which increased ≈10{sup 12} in magnitude for that on Ag NPs/Au{sub N}Rs{sub d}. A highly SERS-active Ag NPs/Au{sub N}Rs{sub d} was furthermore applied for the detection of melamine (MEL) at very low concentrations. Raman-active peaks of MEL (10{sup −3} to 10{sup −12} M) in water or milk solution upon Au{sub N}Rs{sub d} or Ag NPs/Au{sub N}Rs{sub d} were well distinguished. The peaks at 680 and 702 cm{sup −1} for MEL molecules were found suitable to be used as the index for sensing low-concentration MEL in a varied solution, while that at 1051 cm{sup −1} was practical to interpret MEL molecules in water or milk solution bonded with Au (i.e., Au{sub N}Rs{sub d}) or Ag (i.e., Ag NPs/Au{sub N}Rs{sub d}) surface. At the interface of Ag NPs/Au{sub N}Rs{sub d} and MEL molecules in milk solution, a laser-induced electromagnetic field or hotspot effect was produced and

  13. High Performance and Cost-Effective Direct Methanol Fuel Cells: Fe-N-C Methanol-Tolerant Oxygen Reduction Reaction Catalysts.

    Science.gov (United States)

    Sebastián, David; Serov, Alexey; Artyushkova, Kateryna; Gordon, Jonathan; Atanassov, Plamen; Aricò, Antonino S; Baglio, Vincenzo

    2016-08-09

    Direct methanol fuel cells (DMFCs) offer great advantages for the supply of power with high efficiency and large energy density. The search for a cost-effective, active, stable and methanol-tolerant catalyst for the oxygen reduction reaction (ORR) is still a great challenge. In this work, platinum group metal-free (PGM-free) catalysts based on Fe-N-C are investigated in acidic medium. Post-treatment of the catalyst improves the ORR activity compared with previously published PGM-free formulations and shows an excellent tolerance to the presence of methanol. The feasibility for application in DMFC under a wide range of operating conditions is demonstrated, with a maximum power density of approximately 50 mW cm(-2) and a negligible methanol crossover effect on the performance. A review of the most recent PGM-free cathode formulations for DMFC indicates that this formulation leads to the highest performance at a low membrane-electrode assembly (MEA) cost. Moreover, a 100 h durability test in DMFC shows suitable applicability, with a similar performance-time behavior compared to common MEAs based on Pt cathodes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Formation cross section of iron-60 with reactor neutrons in 59Fe(n, γ)60Fe reaction

    International Nuclear Information System (INIS)

    Sato, T.; Suzuki, T.

    1993-01-01

    Ingrowth of 60 Co radioactivity in an iron sample irradiated in a nuclear reactor has been measured for determination of formation cross section of 60 Fe in the 59 Fe(n, γ) 60 Fe reaction with reactor neutrons. After 5 years cooling, the irradiated iron was purified from 60 Co and other radioactive nuclides by an anion exchange separation method and isopropyl ether extraction in hydrochloric acid. The amount of 60 Co ingrowth was measured by γ-spectrometry using a Ge-detector coupled to a multichannel pulse height analyzer 4 years after the purification of iron. Neutron flux of the irradiation position was calculated from the amount of 55 Fe produced. The observed value of 12.5 ± 2.8 barn is slightly greater than reported value for burnup cross section of 59 Fe(n, x)X, where x refers γ, α, d, p and 2n, and X is any nuclide produced by the above reactions. (author) 8 refs.; 2 tabs

  15. Raman spectroscopy in graphene

    International Nuclear Information System (INIS)

    Malard, L.M.; Pimenta, M.A.; Dresselhaus, G.; Dresselhaus, M.S.

    2009-01-01

    Recent Raman scattering studies in different types of graphene samples are reviewed here. We first discuss the first-order and the double resonance Raman scattering mechanisms in graphene, which give rise to the most prominent Raman features. The determination of the number of layers in few-layer graphene is discussed, giving special emphasis to the possibility of using Raman spectroscopy to distinguish a monolayer from few-layer graphene stacked in the Bernal (AB) configuration. Different types of graphene samples produced both by exfoliation and using epitaxial methods are described and their Raman spectra are compared with those of 3D crystalline graphite and turbostratic graphite, in which the layers are stacked with rotational disorder. We show that Resonance Raman studies, where the energy of the excitation laser line can be tuned continuously, can be used to probe electrons and phonons near the Dirac point of graphene and, in particular allowing a determination to be made of the tight-binding parameters for bilayer graphene. The special process of electron-phonon interaction that renormalizes the phonon energy giving rise to the Kohn anomaly is discussed, and is illustrated by gated experiments where the position of the Fermi level can be changed experimentally. Finally, we discuss the ability of distinguishing armchair and zig-zag edges by Raman spectroscopy and studies in graphene nanoribbons in which the Raman signal is enhanced due to resonance with singularities in the density of electronic states.

  16. Fabrication of silver nanoparticles embedded into polyvinyl alcohol (Ag/PVA) composite nanofibrous films through electrospinning for antibacterial and surface-enhanced Raman scattering (SERS) activities

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhijie; Wu, Yunping [National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Henan University, Kaifeng 475004 (China); Wang, Zhihua, E-mail: zhwang@henu.edu.cn [College of Chemistry and Chemical Engineering, Henan University, Kaifeng 475004 (China); Zou, Xueyan; Zhao, Yanbao [National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Henan University, Kaifeng 475004 (China); Sun, Lei, E-mail: sunlei@hneu.edu.cn [National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Henan University, Kaifeng 475004 (China)

    2016-12-01

    Silver nanoparticle-embedded polyvinyl alcohol (PVA) nanofibers were prepared through electrospinning technique, using as antimicrobial agents and surface-enhanced Raman scattering (SERS) substrates. Ag nanoparticles (NPs) were synthesized in liquid phase, followed by evenly dispersing in PVA solution. After electrospinning of the mixed solution at room temperature, the PVA embedded with Ag NPs (Ag/PVA) composite nanofibers were obtained. The morphologies and structures of the as-synthesized Ag nanoparticles and Ag/PVA fibers were characterized by the techniques of transmission electron microscopy (TEM), X-ray diffraction (XRD), ultraviolet-visible absorption spectroscopy (UV–vis), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). Ag NPs have an average diameter of 13.8 nm, were found to be uniformly dispersed in PVA nanofibers. The Ag/PVA nanofibers provided robust antibacterial activities against both Gram-positive Staphylococcus aureus (S. aureus) and Gram-negative Escherichia coli (E. coli) microorganisms. It's also found that Ag/PVA nanofibers make a significant contribution to the high sensitivity of SERS to 4-mercaptophenol (4-MPh) molecules. - Highlights: • Ag NPs embedded in the PVA electropun nanofibrous films were synthesized successfully. • The as-synthesized nanofibrous film mats exhibit excellent antibacterial properties and SERS activates. • The mechanism of antibacterial and SERS effects were proposed.

  17. Fabrication of silver nanoparticles embedded into polyvinyl alcohol (Ag/PVA) composite nanofibrous films through electrospinning for antibacterial and surface-enhanced Raman scattering (SERS) activities

    International Nuclear Information System (INIS)

    Zhang, Zhijie; Wu, Yunping; Wang, Zhihua; Zou, Xueyan; Zhao, Yanbao; Sun, Lei

    2016-01-01

    Silver nanoparticle-embedded polyvinyl alcohol (PVA) nanofibers were prepared through electrospinning technique, using as antimicrobial agents and surface-enhanced Raman scattering (SERS) substrates. Ag nanoparticles (NPs) were synthesized in liquid phase, followed by evenly dispersing in PVA solution. After electrospinning of the mixed solution at room temperature, the PVA embedded with Ag NPs (Ag/PVA) composite nanofibers were obtained. The morphologies and structures of the as-synthesized Ag nanoparticles and Ag/PVA fibers were characterized by the techniques of transmission electron microscopy (TEM), X-ray diffraction (XRD), ultraviolet-visible absorption spectroscopy (UV–vis), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). Ag NPs have an average diameter of 13.8 nm, were found to be uniformly dispersed in PVA nanofibers. The Ag/PVA nanofibers provided robust antibacterial activities against both Gram-positive Staphylococcus aureus (S. aureus) and Gram-negative Escherichia coli (E. coli) microorganisms. It's also found that Ag/PVA nanofibers make a significant contribution to the high sensitivity of SERS to 4-mercaptophenol (4-MPh) molecules. - Highlights: • Ag NPs embedded in the PVA electropun nanofibrous films were synthesized successfully. • The as-synthesized nanofibrous film mats exhibit excellent antibacterial properties and SERS activates. • The mechanism of antibacterial and SERS effects were proposed.

  18. Raman fiber lasers

    CERN Document Server

    2017-01-01

    This book serves as a comprehensive, up-to-date reference about this cutting-edge laser technology and its many new and interesting developments. Various aspects and trends of Raman fiber lasers are described in detail by experts in their fields. Raman fiber lasers have progressed quickly in the past decade, and have emerged as a versatile laser technology for generating high power light sources covering a spectral range from visible to mid-infrared. The technology is already being applied in the fields of telecommunication, astronomy, cold atom physics, laser spectroscopy, environmental sensing, and laser medicine. This book covers various topics relating to Raman fiber laser research, including power scaling, cladding and diode pumping, cascade Raman shifting, single frequency operation and power amplification, mid-infrared laser generation, specialty optical fibers, and random distributed feedback Raman fiber lasers. The book will appeal to scientists, students, and technicians seeking to understand the re...

  19. Laser Raman Spectroscopy with Different Excitation Sources and Extension to Surface Enhanced Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Md. Wahadoszamen

    2015-01-01

    Full Text Available A dispersive Raman spectrometer was used with three different excitation sources (Argon-ion, He-Ne, and Diode lasers operating at 514.5 nm, 633 nm, and 782 nm, resp.. The system was employed to a variety of Raman active compounds. Many of the compounds exhibit very strong fluorescence while being excited with a laser emitting at UV-VIS region, hereby imposing severe limitation to the detection efficiency of the particular Raman system. The Raman system with variable excitation laser sources provided us with a desired flexibility toward the suppression of unwanted fluorescence signal. With this Raman system, we could detect and specify the different vibrational modes of various hazardous organic compounds and some typical dyes (both fluorescent and nonfluorescent. We then compared those results with the ones reported in literature and found the deviation within the range of ±2 cm−1, which indicates reasonable accuracy and usability of the Raman system. Then, the surface enhancement technique of Raman spectrum was employed to the present system. To this end, we used chemically prepared colloidal suspension of silver nanoparticles as substrate and Rhodamine 6G as probe. We could observe significant enhancement of Raman signal from Rhodamine 6G using the colloidal solution of silver nanoparticles the average magnitude of which is estimated to be 103.

  20. Structures, stability, magnetic moments and growth strategies of the Fe_nN (n = 1–7) clusters: All-electron density functional theory calculations

    International Nuclear Information System (INIS)

    Li, Zhi; Zhao, Zhen

    2017-01-01

    The geometries, electronic properties, magnetic moments and growth strategies of the Fe_nN (n = 1–7) clusters are investigated using all-electron density functional theory. The results show that N doping significantly distorts the Fe_n clusters. Fe_4N and Fe_6N clusters are more stable structures than other considered Fe_nN clusters. Local peaks of HOMO-LUMO gap curve are found at n = 3, 7, implying that the chemical stability of the Fe_3N and Fe_7N clusters is higher. Fe_2N, Fe_4N and Fe_6N clusters have larger magnetic moments compared to other considered Fe_nN (n = 1–7) clusters. It can be seen that the Fe_5 clusters are easier to adsorb a Fe atom while the Fe_4 clusters are easier to adsorb a N atom. The considered Fe_mN clusters prefer to adsorb a Fe atom and larger Fe_mN clusters are easier to grow. - Highlights: • The structural stability of the Fe_4N and Fe_6N clusters is higher. • The chemical stability of the Fe_3N and Fe_7N clusters is higher. • Fe_5 clusters are easier to adsorb a Fe atom while Fe_4 clusters are easier to adsorb a N atom. • Fe_nN clusters prefer to adsorb a Fe atom.

  1. Incorporation of low energy activated nitrogen onto HOPG surface: Chemical states and thermal stability studies by in-situ XPS and Raman spectroscopy

    Science.gov (United States)

    Chandran, Maneesh; Shasha, Michal; Michaelson, Shaul; Hoffman, Alon

    2016-09-01

    In this paper we report the chemical states analysis of activated nitrogen incorporated highly oriented pyrolytic graphite (HOPG) surface under well-controlled conditions. Nitrogen incorporation is carried out by two different processes: an indirect RF nitrogen plasma and low energy (1 keV) N2+ implantation. Bonding configuration, concentration and thermal stability of the incorporated nitrogen species by aforesaid processes are systematically compared by in-situ X-ray photoelectron spectroscopy (XPS). Relatively large concentration of nitrogen is incorporated onto RF nitride HOPG surface (16.2 at.%), compared to N2+ implanted HOPG surface (7.7 at.%). The evolution of N 1s components (N1, N2, N3) with annealing temperature is comprehensively discussed, which indicates that the formation and reorganization of local chemical bonding states are determined by the process of nitridation and not by the prior chemical conditioning (i.e., amorphization or hydrogenation) of the HOPG surface. A combined XPS and Raman spectroscopy studies revealed that N2+ implantation process resulted in a high level of defects to the HOPG surface, which cannot be annealed-out by heat treatment up to 1000 °C. On the other hand, the RF nitrogen plasma process did not produce a high level of surface defects, while incorporating nearly the same amount of stable nitrogen species.

  2. A temperature dependent study of the Raman-active phonon modes in Ca and Zn doped YBa2Cu3O7-x

    International Nuclear Information System (INIS)

    Quilty, J. W.; Trodahl, H. J.; Simpson, A.; Flower, N.; Staines, M.; Downes, J.

    1996-01-01

    Full text: The temperature dependent behaviour of the phonon modes in YBa 2 Cu 3 O 7-x (Y-123) are of interest because the strong electron-phonon coupling within these materials yields information about the magnitude of the superconducting gap. The opening of a gap provides a new decay route for phonons, hence phonons near the gap energy show changes in their frequencies and widths as the temperature drops below T c . The magnitude of the superconducting gap may be estimated from these changes. We report our temperature-dependent measurements of the Raman-active phonon modes in ceramic and preferentially oriented polycrystalline samples of Y-123, under a variety of doping regimes. The samples were made underdoped, optimally doped and overdoped by manipulation of the hole concentration on the Cu-O planes, achieved by changing the oxygen stoichiometry, substitution of Zn for Cu, and substitution of Ca for Y. As observed by others, the 340cm -1 phonon, involving vibrations of the oxygen ions on the Cu-O planes, showed the greatest magnitude of change when the samples were cooled below T c , indicating that the superconducting gap energy is close to that of the 340cm -1 phonon

  3. Exploring the structure-activity relations of N-carbethoxyphthalimide by combining FTIR, FT-Raman and NMR spectroscopy with DFT electronic structure method.

    Science.gov (United States)

    Arjunan, V; Govindaraja, S Thillai; Ravindran, P; Mohan, S

    2014-01-01

    The complete vibrational assignment and analysis of N-carbethoxyphthalimide were carried out using the experimental FTIR and FT-Raman data in the range 4000-450 and 4000-100 cm(-1), respectively along with quantum chemical studies of the compound using DFT-B3LYP gradient calculations employing the 6-31G**, 6-311++G** and cc-pVDZ basis sets. The 1H (400 MHz; CDCl3) and 13C (100 MHz;CDCl3) nuclear magnetic resonance (NMR) spectra were also recorded. Due to the partial ionic nature of the carbonyl group, the carbon atoms C1 and C3 in NCEP show downfield effect and the corresponding observed chemical shift of both are observed at 163.76 ppm and the carbon atom C16 in the carbethoxy group also give signal in the downfield at 148.45 ppm. The active sites are determined by molecular electrostatic potential. The possible electronic transitions are determined by HOMO and LUMO orbital shapes and their energies. The structure-chemical reactivity relations of the compound were determined through chemical potential, global hardness, global softness, electronegativity, electrophilicity and local reactivity descriptors by conceptual DFT methods. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Confocal Raman microscopy

    CERN Document Server

    Dieing, Thomas; Hollricher, Olaf

    2018-01-01

    This second edition provides a cutting-edge overview of physical, technical and scientific aspects related to the widely used analytical method of confocal Raman microscopy. The book includes expanded background information and adds insights into how confocal Raman microscopy, especially 3D Raman imaging, can be integrated with other methods to produce a variety of correlative microscopy combinations. The benefits are then demonstrated and supported by numerous examples from the fields of materials science, 2D materials, the life sciences, pharmaceutical research and development, as well as the geosciences.

  5. Magnetization switching behavior with competing anisotropies in epitaxial Co3FeN /MnN exchange-coupled bilayers

    Science.gov (United States)

    Hajiri, T.; Yoshida, T.; Jaiswal, S.; Filianina, M.; Borie, B.; Ando, H.; Asano, H.; Zabel, H.; Kläui, M.

    2016-11-01

    We report unusual magnetization switching processes and angular-dependent exchange bias effects in fully epitaxial Co3FeN /MnN bilayers, where magnetocrystalline anisotropy and exchange coupling compete, probed by longitudinal and transverse magneto-optic Kerr effect (MOKE) magnetometry. The MOKE loops show multistep jumps corresponding to the nucleation and propagation of 90∘ domain walls in as-grown bilayers. By inducing exchange coupling, we confirm changes of the magnetization switching process due to the unidirectional anisotropy field of the exchange coupling. Taking into account the experimentally obtained values of the fourfold magnetocrystalline anisotropy, the unidirectional anisotropy field, the exchange-coupling constant, and the uniaxial anisotropy including its direction, the calculated angular-dependent exchange bias reproduces the experimental results. These results demonstrate the essential role of the competition between magnetocrystalline anisotropy and exchange coupling for understanding and tailoring exchange-coupling phenomena usable for engineering switching in fully epitaxial bilayers made of tailored materials.

  6. Nano-impact testing of TiFeN and TiFeMoN films for dynamic toughness evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Beake, B D [Micro Materials Ltd, Willow House, Ellice Way, Yale Business Village, Wrexham LL13 7YL (United Kingdom); Vishnyakov, V M; Colligon, J S, E-mail: ben@micromaterials.co.uk [Dalton Research Institute, Manchester Metropolitan University, Manchester M1 5GD (United Kingdom)

    2011-03-02

    TiFeN and TiFeMoN films were deposited on silicon wafers by ion-beam-assisted deposition. Their mechanical properties were measured by nanoindentation (quasi-static) and nano-impact (dynamic) techniques. Nano-impact testing enabled assessment of their toughness and resistance to fatigue fracture under repetitive loading. At low impact forces, films with a higher resistance to plastic deformation (H{sup 3}/E{sup 2}) were much more resistant to the formation of cracks throughout the test. At higher impact forces, these films initially show impact resistance but with continued impacts they are unable to protect the Si substrate, performing as poorly as films with lower H{sup 3}/E{sup 2} and suffer delamination from the Si substrate over a large area.

  7. Raman spectra of SDW superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G.C. [Condensed Matter Physics Group, Department of Physics, Government Science College, Chatrapur, Orissa 761 020 (India)]. E-mail: gcr@iopb.res.in; Bishoyi, K.C. [P.G. Department of Physics, F.M. College (Autonomous), Balasore, Orissa 756 001 (India); Behera, S.N. [Institute of Physics, Bhubaneswar 751 005 (India)

    2005-03-15

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations.

  8. Raman spectra of SDW superconductors

    International Nuclear Information System (INIS)

    Rout, G.C.; Bishoyi, K.C.; Behera, S.N.

    2005-01-01

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations

  9. Holographic Raman lidar

    International Nuclear Information System (INIS)

    Andersen, G.

    2000-01-01

    Full text: We have constructed a Raman lidar system that incorporates a holographic optical element. By resolving just 3 nitrogen lines in the Resonance Raman spectroscopy (RRS) spectrum, temperature fits as good as 1% at altitudes of 20km can be made in 30 minutes. Due to the narrowband selectivity of the HOE, the lidar provides measurements over a continuous 24hr period. By adding a 4th channel to capture the Rayleigh backscattered light, temperature profiles can be extended to 80km

  10. Facile charge transport in FeN x /Mo₂N/CNT nanocomposites for ...

    Indian Academy of Sciences (India)

    The nanocomposites were characterized using powder XRD, Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), ElectronDiffraction, ThermogravimetricAnalysis and FTIRSpectroscopy. The electrochemical investigations suggest that the electrocatalytic activity of the composite increases with ...

  11. The role of ion irradiation in activating silent Raman modes via tuning in plasmonic behaviour and surface disorder of Au/ZnO/Pt NFG system

    Science.gov (United States)

    Singh, Udai B.; Gautam, Subodh K.; Kumar, Sunil; Ojha, Sunil; Ghosh, Santanu; Singh, Fouran

    2017-09-01

    The perceptible progression of Raman modes of zinc oxide (ZnO) is studied in nanostructures film gap (Au (10 nm)/ZnO (70 nm)/Pt (50 nm)) system with 1.2 MeV Xe ion irradiation. Unattainable silent Raman modes of ZnO turn out to be strongly visible after ion irradiation. The creation of ion-beam-induced lattice disorder, defects, and impurities in a ZnO layer leads to breakdown the translational crystal symmetry that results in the origin of silent modes. The formation of hot-spots in the ZnO layer of the NFG system also supports the enhancement of the intensity of Raman modes. Overall results are attributed to combined effects of lattice disorder, defects, and impurities along with plasmonic effect and explained in the framework of elastic-thermal-spike formation.

  12. Mechanism of Surface-Enhanced Raman Scattering Based on 3D Graphene-TiO2 Nanocomposites and Application to Real-Time Monitoring of Telomerase Activity in Differentiation of Stem Cells.

    Science.gov (United States)

    Zheng, Tingting; Feng, Enduo; Wang, Zhiqiang; Gong, Xueqing; Tian, Yang

    2017-10-25

    With a burst development of new nanomaterials for plasmon-free surface-enhanced Raman scattering (SERS), the understanding of chemical mechanism (CM) and further applications have become more and more attractive. Herein, a novel SERS platform was specially designed through electrochemical deposition of graphene onto TiO 2 nanoarrays (EG-TiO 2 ). The developed EG-TiO 2 nanocomposite SERS platform possessed remarkable Raman activity using copper phthalocyanine (CuPc) as a probe molecule. X-ray photoelectron spectroscopy measurement revealed that the chemical bond Ti-O-C was formed at the interface between graphene and TiO 2 in EG-TiO 2 nanocomposites. Both experimental and theoretical results demonstrated that the obvious Raman enhancement was attributed to TiO 2 -induced Fermi level shift of graphene, resulting in effective charge transfer between EG-TiO 2 nanocomposites and molecules. Taking advantage of a marked Raman response of the CuPc molecule on the EG-TiO 2 nanocomposite surface as well as specific recognition of CuPc toward multiple telomeric G-quadruplex, EG-TiO 2 nanocomposites were tactfully employed as the SERS substrate for selective and ultrasensitive determination of telomerase activity, with a low detection limit down to 2.07 × 10 -16 IU. Interestingly, the self-cleaning characteristic of EG-TiO 2 nanocomposites under visible light irradiation successfully provided a recycling ability for this plasmon-free EG-TiO 2 substrate. The present SERS biosensor with high analytical performance, such as high selectivity and sensitivity, has been further explored to determine telomerase activity in stem cells as well as to count the cell numbers. More importantly, using this useful tool, it was discovered that telomerase activity plays an important role in the proliferation and differentiation from human mesenchymal stem cells to neural stem cells. This work has not only established an approach for gaining fundamental insights into the chemical mechanism (CM

  13. A quarter century of stimulated Raman scattering

    International Nuclear Information System (INIS)

    Bloembergen, N.

    1987-01-01

    To round out a quarter century of SRS the timing of this writing (1986) requires a look ahead of only one year into the future. The proceedings of the 10th International Conference on Raman Spectroscopy present a picture of current activity. Further progress will be made in time-resolved spectroscopy with subpicosecond resolution, in the study of hyper-Raman and other higher order effects with CARS, in extension of resonant Raman excitation in the UV region of spectrum, and in the development of Raman laser sources. During past few years extensive theoretical investigations have been made for four-wave light mixing in the case of one or more very strong light beams. The perturbation approach for those fields ceases to be valid. If only one light field is strong, the usual approach is to make a transformation to a rotating coordinate system so that the strong Hamiltonian for this light field becomes time-independent. Very recently these techniques have been extended to the case of two or more strong fields. CARS-type experiments with strong beams are likely to receive more attention. Extrapolation of the current activities instills confidence in the vitality of stimulated Raman scattering for the foreseeable future

  14. Compositional behavior of Raman active phonons in Pb(Zr.sub.1-x./sub.Ti.sub.x./sub.).sub.3./sub. ceramics

    Czech Academy of Sciences Publication Activity Database

    Buixaderas, Elena; Gregora, Ivan; Savinov, Maxim; Hlinka, Jiří; Jin, L.; Damjanovic, D.; Malic, B.

    2015-01-01

    Roč. 91, č. 1 (2015), "014104-1"-"014104-8" ISSN 1098-0121 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : Raman spectroscopy * phonons * morphotropic phase bounday * PZT * ferroelectrics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  15. [Raman spectra of monkey cerebral cortex tissue].

    Science.gov (United States)

    Zhu, Ji-chun; Guo, Jian-yu; Cai, Wei-ying; Wang, Zu-geng; Sun, Zhen-rong

    2010-01-01

    Monkey cerebral cortex, an important part in the brain to control action and thought activities, is mainly composed of grey matter and nerve cell. In the present paper, the in situ Raman spectra of the cerebral cortex of the birth, teenage and aged monkeys were achieved for the first time. The results show that the Raman spectra for the different age monkey cerebral cortex exhibit most obvious changes in the regions of 1000-1400 and 2800-3000 cm(-1). With monkey growing up, the relative intensities of the Raman bands at 1313 and 2885 cm(-1) mainly assigned to CH2 chain vibrational mode of lipid become stronger and stronger whereas the relative intensities of the Raman bands at 1338 and 2932 cm(-1) mainly assigned to CH3 chain vibrational mode of protein become weaker and weaker. In addition, the two new Raman bands at 1296 and 2850 cm(-1) are only observed in the aged monkey cerebral cortex, therefore, the two bands can be considered as a character or "marker" to differentiate the caducity degree with monkey growth In order to further explore the changes, the relative intensity ratios of the Raman band at 1313 cm(-1) to that at 1338 cm(-1) and the Raman band at 2885 cm(-1) to that at 2 932 cm(-1), I1313/I1338 and I2885/I2932, which are the lipid-to-protein ratios, are introduced to denote the degree of the lipid content. The results show that the relative intensity ratios increase significantly with monkey growth, namely, the lipid content in the cerebral cortex increases greatly with monkey growth. So, the authors can deduce that the overmuch lipid is an important cause to induce the caducity. Therefore, the results will be a powerful assistance and valuable parameter to study the order of life growth and diagnose diseases.

  16. Progress report of FY 1997 activities: The application of Kalman filtering to derive water vapor profiles from combined ground-based sensors: Raman lidar, microwave radiometers, GPS, and radiosondes

    International Nuclear Information System (INIS)

    Edgeworth R. Westwater; Yong Han

    1997-01-01

    Previously, the proposers have delivered to ARM a documented algorithm, that is now applied operationally, and which derives water vapor profiles from combined remote sensor measurements of water vapor radiometers, cloud-base ceilometers, and radio acoustic sounding systems (RASS). With the expanded deployment of a Raman lidar at the CART Central Facility, high quality, high vertical-resolution, water vapor profiles will be provided during nighttime clear conditions, and during clear daytime conditions, to somewhat lower altitudes. The object of this proposal was to use Kalman Filtering, previously applied to the combination of nighttime Raman lidar and microwave radiometer data, to derive high-quality water vapor profiles, during non-precipitating conditions, from data routinely available at the CART site. Input data to the algorithm would include: Raman lidar data, highly quality-controlled data of integrated moisture from microwave radiometers and GPS, RASS, and radiosondes. The algorithm will include recently-developed quality control procedures for radiometers. The focus of this years activities has been on the intercomparison of data obtained during an intensive operating period at the SGP CART site in central Oklahoma

  17. Raman spectrum of asphaltene

    KAUST Repository

    Abdallah, Wael A.; Yang, Yang

    2012-01-01

    Asphaltenes extracted from seven different crude oils representing different geological formations from around the globe were analyzed using the Raman spectroscopic technique. Each spectrum is fitted with four main peaks using the Gaussian function. On the basis of D1 and G bands of the Raman spectrum, asphaltene indicated an ordered structure with the presence of boundary defected edges. The average aromatic sheet size of the asphaltene molecules is estimated within the range of 1.52-1.88 nm, which represents approximately seven to eight aromatic fused rings. This estimation is based on the integrated intensity of D1 and G bands, as proposed by Tunistra and Koenig. The results here are in perfect agreement with so many other used techniques and indicate the potential applicability of Raman measurements to determine the average aromatic ring size and its boundary. © 2012 American Chemical Society.

  18. Raman spectrum of asphaltene

    KAUST Repository

    Abdallah, Wael A.

    2012-11-05

    Asphaltenes extracted from seven different crude oils representing different geological formations from around the globe were analyzed using the Raman spectroscopic technique. Each spectrum is fitted with four main peaks using the Gaussian function. On the basis of D1 and G bands of the Raman spectrum, asphaltene indicated an ordered structure with the presence of boundary defected edges. The average aromatic sheet size of the asphaltene molecules is estimated within the range of 1.52-1.88 nm, which represents approximately seven to eight aromatic fused rings. This estimation is based on the integrated intensity of D1 and G bands, as proposed by Tunistra and Koenig. The results here are in perfect agreement with so many other used techniques and indicate the potential applicability of Raman measurements to determine the average aromatic ring size and its boundary. © 2012 American Chemical Society.

  19. Rapid Identification of Bacterial Pathogens of Military Interest Using Surface-Enhanced Raman Spectroscopy

    Science.gov (United States)

    2014-06-11

    Failloux, N., Bonnet, 1., Baron, M. H., & Perrier, E. (2003). Quantitative analysis of vitamin A degradation by raman spectroscopy. Applied Spectroscopy...analysis of the Raman-active modes of the anti-tumor agent 6- mercaptopurine . Journal of Raman Spectroscopy, 32(1), 1-8. doi: Doi 10.1002/1097- 4555

  20. ORIENTATIONAL MICRO-RAMAN SPECTROSCOPY ON HYDROXYAPATITE SINGLE-CRYSTALS AND HUMAN ENAMEL CRYSTALLITES

    NARCIS (Netherlands)

    TSUDA, H; ARENDS, J

    Single crystals of synthetic hydroxyapatite have been examined by orientational micro-Raman spectroscopy. The observed Raman bands include the PO43-/OH- internal and external. modes over the spectral range from 180 to 3600 cm(-1). The Raman-active symmetry tensors (A, E(1), and E(2)) of

  1. Preparation of a Superhydrophobic and Peroxidase-like Activity Array Chip for H2O2 Sensing by Surface-Enhanced Raman Scattering.

    Science.gov (United States)

    Yu, Zhi; Park, Yeonju; Chen, Lei; Zhao, Bing; Jung, Young Mee; Cong, Qian

    2015-10-28

    In this paper, we propose a novel and simple method for preparing a dual-biomimetic functional array possessing both superhydrophobic and peroxidase-like activity that can be used for hydrogen peroxide (H2O2) sensing. The proposed method is an integration innovation that combines the above two properties and surface-enhanced Raman scattering (SERS). We integrated a series of well-ordered arrays of Au points (d = 1 mm) onto a superhydrophobic copper (Cu)/silver (Ag) surface by replicating an arrayed molybdenum template. Instead of using photoresists and the traditional lithography method, we utilized a chemical etching method (a substitution reaction between Cu and HAuCl4) with a Cu/Ag superhydrophobic surface as the barrier layer, which has the benefit of water repellency. The as-prepared Au points were observed to possess peroxidase-like activity, allowing for catalytic oxidation of the chromogenic molecule o-phenylenediamine dihydrochloride (OPD). Oxidation was evidenced by a color change in the presence of H2O2, which allows the array chip to act as an H2O2 sensor. In this study, the water repellency of the superhydrophobic surface was used to fabricate the array chip and increase the local reactant concentration during the catalytic reaction. As a result, the catalytic reaction occurred when only 2 μL of an aqueous sample (OPD/H2O2) was placed onto the Au point, and the enzymatic product, 2,3-diaminophenazine, showed a SERS signal distinguishable from that of OPD after mixing with 2 μL of colloidal Au. Using the dual-biomimetic functional array chip, quantitative analysis of H2O2 was performed by observing the change in the SERS spectra, which showed a concentration-dependent behavior for H2O2. This method allows for the detection of H2O2 at concentrations as low as 3 pmol per 2 μL of sample, which is a considerable advantage in H2O2 analysis. The as-prepared substrate was convenient for H2O2 detection because only a small amount of sample was required in

  2. Surface-Enhanced Raman Spectroscopy

    Indian Academy of Sciences (India)

    IAS Admin

    weak Raman signal, which facilitates identification in chemi- cal and biological systems. Recently, single-molecule Raman scattering has enhanced the detection sensitivity limit of ... was working on the molecular diffraction of light, which ulti-.

  3. Surface-Enhanced Raman Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 2. Surface-Enhanced Raman Spectroscopy - Recent Advancement of Raman Spectroscopy. Ujjal Kumar Sur. General Article Volume 15 Issue 2 February 2010 pp 154-164 ...

  4. Magnetization dynamics of weak stripe domains in Fe-N thin films: a multi-technique complementary approach.

    Science.gov (United States)

    Camara, Ibrahima; Tacchi, Silvia; Garnier, Louis-Charles; Eddrief, Mahmoud; Fortuna, Franck; Carlotti, Giovanni; Marangolo, Massimiliano

    2017-09-26

    The resonant eigenmodes of a nitrogen-implanted iron α'-FeN characterized by weak stripe domains are investigated by Brillouin light scattering and broadband ferromagnetic resonance experiments, assisted by micromagnetic simulations. The spectrum of the dynamic eigenmodes in the presence of the weak stripes is very rich and two different families of modes can be selectively detected using different techniques or different experimental configurations. Attention is paid to the evolution of the mode frequencies and spatial profiles under the application of an external magnetic field, of variable intensity, in the direction parallel or transverse to the stripes. The different evolution of the modes with the external magnetic field is accompanied by a distinctive spatial localization in specific regions, such as the closure domains at the surface of the stripes and the bulk domains localized in the inner part of the stripes. The complementarity of BLS and FMR techniques, based on different selection rules, is found to be a fruitful tool for the study of the wealth of localized mag-netic excitations generally found in nanostructures. © 2017 IOP Publishing Ltd.

  5. Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations.

    Science.gov (United States)

    Ramalingam, S; Jayaprakash, A; Mohan, S; Karabacak, M

    2011-11-01

    FT-IR and FT-Raman (4000-100 cm(-1)) spectral measurements of 3-methyl-1,2-butadiene (3M12B) have been attempted in the present work. Ab-initio HF and DFT (LSDA/B3LYP/B3PW91) calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies, IR intensities and Raman activities. Complete vibrational assignments on the observed spectra are made with vibrational frequencies obtained by HF and DFT (LSDA/B3LYP/B3PW91) at 6-31G(d,p) and 6-311G(d,p) basis sets. The results of the calculations have been used to simulate IR and Raman spectra for the molecule that showed good agreement with the observed spectra. The potential energy distribution (PED) corresponding to each of the observed frequencies are calculated which confirms the reliability and precision of the assignment and analysis of the vibrational fundamentals modes. The oscillation of vibrational frequencies of butadiene due to the couple of methyl group is also discussed. A study on the electronic properties such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties of the title compound at different temperatures reveal the correlations between standard heat capacities (C) standard entropies (S), and standard enthalpy changes (H). Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

  6. Development of Raman spectrophotometer

    International Nuclear Information System (INIS)

    Adam, A.I.

    2008-05-01

    In this work, the Raman spectrophotometer HG.2S Jobin Yvon rebuilt and developed, the Raman setup provided as a gift for Neelian University from Amsterdam University. The main parts, which were replaced, include monochromator, an air-cooled photomultiplier tube RCA IP 28, log amplifier, hand scanning lab VIEW card for computer interfacing. The components assembled and the whole device was tested successfully. The developed setup was checked using some standard solutions, which showed perfect consistency with literature in the references and published papers. Solutions included hexane, cyclohexane, carbon tetrachloride, benzene and sodium sulfate.(Author)

  7. Raman spectra of graphene ribbons

    International Nuclear Information System (INIS)

    Saito, R; Furukawa, M; Dresselhaus, G; Dresselhaus, M S

    2010-01-01

    Raman spectra of graphene nanoribbons with zigzag and armchair edges are calculated within non-resonant Raman theory. Depending on the edge structure and polarization direction of the incident and scattered photon beam relative to the edge direction, a symmetry selection rule for the phonon type appears. These Raman selection rules will be useful for the identification of the edge structure of graphene nanoribbons.

  8. Raman scattering of rare earth hexaborides

    International Nuclear Information System (INIS)

    Ogita, Norio; Hasegawa, Takumi; Udagawa, Masayuki; Iga, Fumitoshi; Kunii, Satoru

    2009-01-01

    Raman scattering spectra were measured for the rare-earth hexaborides RB 6 (R = Ce, Gd, or Dy). All Raman-active phonons due to B 6 vibrations were observed in the range 600 - 1400 cm -1 . Anomalous peaks were detected below 200 cm -1 , which correspond to vibrations of rare-earth ion excited by second-order Raman scattering process. The intensity and energy of the rare-earth mode decrease with decreasing temperature. This suggests that the rare-earth ion vibrates in a shallow and anharmonic potential due to the boron cage. Using the reported values of mean square displacement of rare-earth ion, we estimated the anharmonic contribution for the rare-earth vibrations.

  9. Optical trapping and Raman spectroscopy of single nanostructures using standing-wave Raman tweezers

    Science.gov (United States)

    Wu, Mu-ying; He, Lin; Chen, Gui-hua; Yang, Guang; Li, Yong-qing

    2017-08-01

    Optical tweezers integrated with Raman spectroscopy allows analyzing a single trapped micro-particle, but is generally less effective for individual nano-sized objects in the 10-100 nm range. The main challenge is the weak gradient force on nanoparticles that is insufficient to overcome the destabilizing effect of scattering force and Brownian motion. Here, we present standing-wave Raman tweezers for stable trapping and sensitive characterization of single isolated nanostructures with a low laser power by combining a standing-wave optical trap (SWOT) with confocal Raman spectroscopy. This scheme has stronger intensity gradients and balanced scattering forces, and thus is more stable and sensitive in measuring nanoparticles in liquid with 4-8 fold increase in the Raman signals. It can be used to analyze many nanoparticles that cannot be measured with single-beam Raman tweezers, including individual single-walled carbon nanotubes (SWCNT), graphene flakes, biological particles, polystyrene beads (100 nm), SERS-active metal nanoparticles, and high-refractive semiconductor nanoparticles with a low laser power of a few milliwatts. This would enable sorting and characterization of specific SWCNTs and other nanoparticles based on their increased Raman fingerprints.

  10. Designing of Raman laser

    International Nuclear Information System (INIS)

    Zidan, M. D.; Al-Awad, F.; Alsous, M. B.

    2005-01-01

    In this work, we describe the design of the Raman laser pumped by Frequency doubled Nd-YAG laser (λ=532 nm) to generate new laser wavelengths by shifting the frequency of the Nd-YAG laser to Stokes region (λ 1 =683 nm, λ 2 =953.6 nm, λ 3 =1579.5 nm) and Antistokes region (λ ' 1 =435 nm, λ ' 2 =369.9 nm, λ ' 3=319.8 nm). Laser resonator has been designed to increase the laser gain. It consists of two mirrors, the back mirror transmits the pump laser beam (λ=532 nm) through the Raman tube and reflects all other generated Raman laser lines. Four special front mirrors were made to be used for the four laser lines λ 1 =683 nm, λ 2 =953.6 nm and λ ' 1 = 435 nm, λ ' 2 =369.9 nm. The output energy for the lines υ 1 s, υ 2 s, υ 1 as,υ 2 as was measured. The output energy of the Raman laser was characterized for different H 2 pressure inside the tube. (Author)

  11. Confocal Raman microspectroscopy

    International Nuclear Information System (INIS)

    Puppels, G.J.

    1991-01-01

    Raman spectroscopy is a technique that provides detailed structural information about molecules studied. In the field of molecular biophysics it has been extensively used for characterization of nucleic acids and proteins and for investigation of interactions between these molecules. It was felt that this technique would have great potential if it could be applied for in situ study of these molecules and their interactions, at the level of single living cell or a chromosome. To make this possible a highly sensitive confocal Raman microspectrometer (CRM) was developed. The instrument is described in detail in this thesis. It incorporates a number of recent technological developments. First, it employs a liquid nitrogen cooled CCD-camera. This type of detector, first used in astronomy, is the ultimate detector for Raman spectroscopy because it combines high quantum efficiency light detection with photon-noise limited operation. Second, an important factor in obtaining a high signal throughput of the spectrometer was the development of a new type of Raman notch filter. In the third place, the confocal detection principle was applied in the CRM. This limits the effective measuring volume to 3 . (author). 279 refs., 48 figs., 11 tabs

  12. Raman Imaging Techniques and Applications

    CERN Document Server

    2012-01-01

    Raman imaging has long been used to probe the chemical nature of a sample, providing information on molecular orientation, symmetry and structure with sub-micron spatial resolution. Recent technical developments have pushed the limits of micro-Raman microscopy, enabling the acquisition of Raman spectra with unprecedented speed, and opening a pathway to fast chemical imaging for many applications from material science and semiconductors to pharmaceutical drug development and cell biology, and even art and forensic science. The promise of tip-enhanced raman spectroscopy (TERS) and near-field techniques is pushing the envelope even further by breaking the limit of diffraction and enabling nano-Raman microscopy.

  13. A SIGNAL ENHANCED PORTABLE RAMAN PROBE FOR ANESTHETIC GAS MONITORING

    Directory of Open Access Journals (Sweden)

    S. Schlüter

    2015-03-01

    Full Text Available The spontaneous Raman scattering technique is an excellent tool for a quantitative analysis of multi-species gas mixtures. It is a noninvasive optical method for species identification and gas phase concentration measurement of all Raman active molecules, since the intensity of the species specific Raman signal is linearly dependent on the concentration. Applying a continuous wave (CW laser it typically takes a few seconds to capture a gas phase Raman spectrum at room temperature. Nevertheless in contrast to these advantages the weak Raman signal intensity is a major drawback. Thus, it is still challenging to detect gas phase Raman spectra in alow-pressure regime with a temporal resolution of only a few 100 ms. In this work a fully functional gas phase Raman system for measurements in the low-pressure regime (p ≥ 980 hPa (absolute is presented. It overcomes the drawback of a weak Raman signal by using a multipass cavity. A description of the sensor setup and of the multipass arrangement will be presented. Moreover the complete functionality of the sensor system will be demonstrated by measurements at an anesthesia simulator under clinical relevant conditions and in comparison to a conventional gas monitor.

  14. Study of the reaction of astrophysical interest 60Fe(n,γ)61Fe via (d,pγ) transfer reaction

    International Nuclear Information System (INIS)

    Giron, S.

    2011-12-01

    60 Fe is of special interest in nuclear astrophysics. Indeed the recent observations of 60 Fe characteristic gamma-ray lines by the RHESSI and INTEGRAL spacecrafts allowed to measure the total flux of 60 Fe over the Galaxy. Moreover the observation in presolar grains of an excess of the daughter-nuclei of 60 Fe, 60 Ni, gives constraints on the conditions of formation of the early solar system. However, the cross-sections of some reactions involved in 60 Fe nucleosynthesis and included to stellar models are still uncertain. The destruction reaction of 60 Fe, 60 Fe(n, γ) 61 Fe, is one of them. The total cross-section can be separate into two contributions: the direct one, involving states below the neutron separation threshold of 61 Fe, and the resonant one.We improved 61 Fe spectroscopy in order to evaluate the direct capture part of the 60 Fe(n, γ) 61 Fe reaction cross-section. 60 Fe(n, γ) 61 Fe was thus studied via d( 60 Fe, pγ) 61 Fe transfer reaction with the CATS/MUST2/EXOGAM setup at LISE-GANIL. DWBA analysis of experimental proton differential cross-sections allowed to extract orbital angular momentum and spectroscopic factors of different populated states identified below the neutron threshold. A comparison of experimental results for 61 Fe with experimental results for similar nuclei and with shell-model calculations was also performed. (author) [fr

  15. Raman study of ? crystals

    Science.gov (United States)

    Pimenta, M. A.; Oliveira, M. A. S.; Bourson, P.; Crettez, J. M.

    1997-09-01

    In this work we present a polarized Raman study of 0953-8984/9/37/020/img7 single crystals for several values of the concentration 0953-8984/9/37/020/img8 made using different scattering geometries. The Raman spectra, composed of broad bands, have been fitted in accordance with a symmetry analysis which allowed us to assign the vibrational modes, and determine their frequencies and damping constants. The results are compatible with an average hexagonal symmetry for the solid solutions with x in the range 0953-8984/9/37/020/img9. In each of the spectra we found two bands at about 590 and 0953-8984/9/37/020/img10, probably associated with the existence of 0953-8984/9/37/020/img11 structures in the solid solutions.

  16. Surface enhanced Raman scattering

    CERN Document Server

    Furtak, Thomas

    1982-01-01

    In the course of the development of surface science, advances have been identified with the introduction of new diagnostic probes for analytical characterization of the adsorbates and microscopic structure of surfaces and interfaces. Among the most recently de­ veloped techniques, and one around which a storm of controversy has developed, is what has now been earmarked as surface enhanced Raman scattering (SERS). Within this phenomenon, molecules adsorbed onto metal surfaces under certain conditions exhibit an anomalously large interaction cross section for the Raman effect. This makes it possible to observe the detailed vibrational signature of the adsorbate in the ambient phase with an energy resolution much higher than that which is presently available in electron energy loss spectroscopy and when the surface is in contact with a much larger amount of material than that which can be tolerated in infrared absorption experiments. The ability to perform vibrational spectroscopy under these conditions would l...

  17. Raman Plus X: Biomedical Applications of Multimodal Raman Spectroscopy.

    Science.gov (United States)

    Das, Nandan K; Dai, Yichuan; Liu, Peng; Hu, Chuanzhen; Tong, Lieshu; Chen, Xiaoya; Smith, Zachary J

    2017-07-07

    Raman spectroscopy is a label-free method of obtaining detailed chemical information about samples. Its compatibility with living tissue makes it an attractive choice for biomedical analysis, yet its translation from a research tool to a clinical tool has been slow, hampered by fundamental Raman scattering issues such as long integration times and limited penetration depth. In this review we detail the how combining Raman spectroscopy with other techniques yields multimodal instruments that can help to surmount the translational barriers faced by Raman alone. We review Raman combined with several optical and non-optical methods, including fluorescence, elastic scattering, OCT, phase imaging, and mass spectrometry. In each section we highlight the power of each combination along with a brief history and presentation of representative results. Finally, we conclude with a perspective detailing both benefits and challenges for multimodal Raman measurements, and give thoughts on future directions in the field.

  18. Transmission electron microscopy and Raman characterization of copper (I) oxide microspheres composed of nanoparticles

    International Nuclear Information System (INIS)

    Wang Wenzhong; Tu Ya; Wang Lijuan; Liang Yujie; Shi Honglong

    2013-01-01

    Highlights: ► Raman spectroscopy of copper (I) oxide microspheres were investigated. ► Infrared active mode is greatly activated in Raman scattering spectrum. ► Infrared active mode shows up in Raman spectrum of copper (I) oxide microspheres. ► The defects existed in spheres could be responsible for the observed Raman property. - Abstract: The high-resolution transmission electron microscope and Raman spectroscopy were used to investigate the microstructures and Raman scattering property of copper (I) oxide microspheres composed of nanoparticles. High-resolution transmission electron microscope images indicate that the copper (I) oxide microspheres are composed of nanoparticles with random growth direction, indicating that there are many defects in microspheres. The Raman spectrum shows that infrared active mode, which must be odd parity and is Raman forbidden for bulk crystal due to its inversion symmetry, is activated and shows up in Raman scattering spectrum. On the basis of investigations of the microstructure features of copper (I) oxide microspheres, we attribute the appearance of IR active mode in Raman scattering spectrum to the breakdown of the symmetry of the lattice due to the presence of defects in the prepared copper (I) oxide microspheres as observed in HRTEM images.

  19. Anomalous Polarized Raman Scattering and Large Circular Intensity Differential in Layered Triclinic ReS2.

    Science.gov (United States)

    Zhang, Shishu; Mao, Nannan; Zhang, Na; Wu, Juanxia; Tong, Lianming; Zhang, Jin

    2017-10-24

    The Raman tensor of a crystal is the derivative of its polarizability tensor and is dependent on the symmetries of the crystal and the Raman-active vibrational mode. The intensity of a particular mode is determined by the Raman selection rule, which involves the Raman tensor and the polarization configurations. For anisotropic two-dimensional (2D) layered crystals, polarized Raman scattering has been used to reveal the crystalline orientations. However, due to its complicated Raman tensors and optical birefringence, the polarized Raman scattering of triclinic 2D crystals has not been well studied yet. Herein, we report the anomalous polarized Raman scattering of 2D layered triclinic rhenium disulfide (ReS 2 ) and show a large circular intensity differential (CID) of Raman scattering in ReS 2 of different thicknesses. The origin of CID and the anomalous behavior in polarized Raman scattering were attributed to the appearance of nonzero off-diagonal Raman tensor elements and the phase factor owing to optical birefringence. This can provide a method to identify the vertical orientation of triclinic layered materials. These findings may help to further understand the Raman scattering process in 2D materials of low symmetry and may indicate important applications in chiral recognition by using 2D materials.

  20. Study of the surface-enhanced Raman spectroscopy of residual impurities in hydroxylamine-reduced silver colloid and the effects of anions on the colloid activity.

    Science.gov (United States)

    Dong, Xiao; Gu, Huaimin; Liu, Fangfang

    2012-03-01

    The paper investigated the residual ions in hydroxylamine-reduced silver colloid (HRSC) and the relationship between the condition of HRSC and the enhanced mechanisms of this colloid. We also detected the SERS of MB and studied the effects of anions on the Raman signal. In the case of HRSC, the bands of residual ions diminish while the bands of Ag-anions increase gradually with increasing the concentrations of Cl(-) and NO(3)(-). It means the affinity of residual ions on the silver surface is weaker than that of Cl(-) and NO(3)(-) and the residual ions are replaced gradually by the added Cl(-) or NO(3)(-). The Raman signal of residual ions can be detected by treatment with anions that do not bind strongly to the silver surface, such as SO(4)(2-). The most intense band of Ag-anions bonds can be also observed when adding weakly binding anions to the colloid. However, the anions which make up the Ag-anions bonds are residual Cl(-) and the effect of weakly binding anions is only to aggregate the silver particles. Residual Cl(-) can be replaced by I(-) which has the highest affinity. From the detection of methylene blue (MB), the effects of anions on the enhancement of Raman signal are discussed in detail, and these findings could make the conditions suitable for detecting analytes in high efficiency. This study will have a profound implication to SERS users about their interpretation of SERS spectra when obtaining these anomalous bands. Copyright © 2011 Elsevier B.V. All rights reserved.

  1. [Cellulose acetate membrane electrophoresis CAE and Raman spectroscopy as a method identification of beta-glucans, used as biologically and therapeutically active biomaterials].

    Science.gov (United States)

    Pielesz, Anna; Biniaś, Włodzimierz; Paluch, Jadwiga

    2012-01-01

    The formation of AGEs progressively increases with normal aging, even in the absence of disease (the pathogenesis of diabetes associated vascular disorders and neurodegenerative diseases, including Alzheimer's disease, Parkinson's disease). However, they are formed at accelerated rates in age-related diseases. The polysaccharides might play a role in wound healing, both internally and externally, and also that they could play a role against inflammation and may lead to the production of better medicines to be used as supplements in cancer treatment. The acid hydrolysis was studied with H2SO4 at 80% concentration to determine the most effective procedure for total hydrolysis of beta-glucan. The standard of beta-glucans acid hydrolysate were compared for commercial oat and oatmeal, mushrooms: Pleurotus ostreatus, Fungus and yeast Saccharomyces cerevisiae. The following materials and reagents were used in the examination: reference beta-(1 --> 3)-(1 --> 6)-glucan, oat and oatmeal, mushrooms: Pleurotus ostreatus, Fungus and yeast Saccharomyces cerevisiae. The Raman spectra of the sample solutions (beta-glucan acid hydrolysates) were recorded on a MAGNA-IR 860 with FT-Raman accessory. Sample was irradiated with a 1064 nm line of the T10-8S Nd spectra-physics model: YAG laser and scattered radiation were collected at 180 degrees, using 4 cm(-1) resolution. The polysaccharide was hydrolyzed into component monosaccharides with 80% H2SO4 at 0 degrees C for 30 minutes and monosaccharide derivatives were subjected to electrophoresis, as in a ealier authors study, on a strip of cellulose acetate membrane (CA-SYS-MINI Cellulose Acetate Systems) in 0.2 M Ca(OAc)2 (pH 7.5) at 10 mA, max. 240 V for 1.5 h. The strips were stained with 0.5% toluidine blue in 3% HOAc solution and then rinsed in distilled water and air-dried. A part of the hexoses (for example glucose) are converted, to products such as 5-hydroxymethylfurfural. Various coloured substances, through the Maillard

  2. Label-Free Raman Imaging to Monitor Breast Tumor Signatures.

    Science.gov (United States)

    Manciu, Felicia S; Ciubuc, John D; Parra, Karla; Manciu, Marian; Bennet, Kevin E; Valenzuela, Paloma; Sundin, Emma M; Durrer, William G; Reza, Luis; Francia, Giulio

    2017-08-01

    Although not yet ready for clinical application, methods based on Raman spectroscopy have shown significant potential in identifying, characterizing, and discriminating between noncancerous and cancerous specimens. Real-time and accurate medical diagnosis achievable through this vibrational optical method largely benefits from improvements in current technological and software capabilities. Not only is the acquisition of spectral information now possible in milliseconds and analysis of hundreds of thousands of data points achieved in minutes, but Raman spectroscopy also allows simultaneous detection and monitoring of several biological components. Besides demonstrating a significant Raman signature distinction between nontumorigenic (MCF-10A) and tumorigenic (MCF-7) breast epithelial cells, our study demonstrates that Raman can be used as a label-free method to evaluate epidermal growth factor activity in tumor cells. Comparative Raman profiles and images of specimens in the presence or absence of epidermal growth factor show important differences in regions attributed to lipid, protein, and nucleic acid vibrations. The occurrence, which is dependent on the presence of epidermal growth factor, of new Raman features associated with the appearance of phosphothreonine and phosphoserine residues reflects a signal transduction from the membrane to the nucleus, with concomitant modification of DNA/RNA structural characteristics. Parallel Western blotting analysis reveals an epidermal growth factor induction of phosphorylated Akt protein, corroborating the Raman results. The analysis presented in this work is an important step toward Raman-based evaluation of biological activity of epidermal growth factor receptors on the surfaces of breast cancer cells. With the ultimate future goal of clinically implementing Raman-guided techniques for the diagnosis of breast tumors (e.g., with regard to specific receptor activity), the current results just lay the foundation for

  3. Resonant Impulsive Stimulated Raman Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari, A; Chesnoy, J

    1988-03-15

    Using a femtosecond dye laser, we observe in real-time vibrational oscillations excited by impulsive stimulated Raman scattering (ISRS) close to an electronic resonance. We perform single-beam Raman excitation and probe the driven coherence by a polarization-sensitive detection. We demonstrate for the first time impulsively Raman-induced dichroism, birefringence as well as frequency and time delay shifts. We analyse the characteristics of resonant ISRS on a vibrational mode of a dye molecule (malachite green) in solution.

  4. Resonant Impulsive Stimulated Raman Scattering

    International Nuclear Information System (INIS)

    Mokhtari, A.; Chesnoy, J.

    1988-01-01

    Using a femtosecond dye laser, we observe in real-time vibrational oscillations excited by impulsive stimulated Raman scattering (ISRS) close to an electronic resonance. We perform single-beam Raman excitation and probe the driven coherence by a polarization-sensitive detection. We demonstrate for the first time impulsively Raman-induced dichroism, birefringence as well as frequency and time delay shifts. We analyse the characteristics of resonant ISRS on a vibrational mode of a dye molecule (malachite green) in solution

  5. Photocatalytic mechanism of high-activity anatase TiO2 with exposed (001) facets from molecular-atomic scale: HRTEM and Raman studies

    Science.gov (United States)

    Wu, Jun; Shi, Chentian; Zhang, Yupeng; Fu, Qiang; Pan, Chunxu

    2017-12-01

    Anatase TiO2 with a variant percentage of exposed (001) facets was prepared under hydrothermal processes by adjusting the volume of HF, and the photocatalytic mechanism was studied from atomic-molecular scale by HRTEM and Raman spectroscopy. It was revealed that: 1) From HRTEM observations, the surface of original TiO2 with exposed (001) facets was clean without impurity, and the crystal lattice was clear and completed; however, when mixed with methylene blue (MB) solution, there were many 1 nm molecular absorbed at the surface of TiO2; after the photocatalytic experiment, MB molecules disappeared and the TiO2 lattice image became fuzzy. 2) The broken path of the MB chemical bond was obtained by Raman spectroscopy, i.e., after the irradiation of the light, the vibrational mode of C-N-C disappeared due to the chemical bond breakage, and the groups containing C-N bond and carbon rings were gradually decomposed. Accordingly, we propose that the driving force for breaking the chemical bond and the disappearance of groups is from the surface lattice distortion of TiO2 during photocatalyzation.

  6. Lattice parameters and Raman-active phonon modes of β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kranert, Christian, E-mail: christian.kranert@uni-leipzig.de; Jenderka, Marcus; Lenzner, Jörg; Lorenz, Michael; Wenckstern, Holger von; Schmidt-Grund, Rüdiger; Grundmann, Marius [Institut für Experimentelle Physik II, Universität Leipzig, Halbleiterphysik, Linnéstr. 5, 04103 Leipzig (Germany)

    2015-03-28

    We present X-ray diffraction and Raman spectroscopy investigations of a (100)-oriented (Al{sub x}Ga{sub 1–x}){sub 2}O{sub 3} thin film on MgO (100) and bulk-like ceramics in dependence on their composition. The thin film grown by pulsed laser deposition has a continuous lateral composition spread allowing to determine precisely the dependence of the phonon mode properties and lattice parameters on the chemical composition. For x < 0.4, we observe the single-phase β-modification. Its lattice parameters and phonon energies depend linearly on the composition. We determined the slopes of these dependencies for the individual lattice parameters and for nine Raman lines, respectively. While the lattice parameters of the ceramics follow Vegard's rule, deviations are observed for the thin film. This deviation has only a small effect on the phonon energies, which show a reasonably good agreement between thin film and ceramics.

  7. Evaluation of optoelectronic response and Raman active modes in Tb{sup 3+} and Eu{sup 3+}-doped gadolinium oxide (Gd{sub 2}O{sub 3}) nanoparticle systems

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Nibedita [National Institute of Technology Nagaland, Department of Physics, Dimapur, Nagaland (India); Tezpur University, Department of Physics, Tezpur, Assam (India); Mohanta, D. [Tezpur University, Department of Physics, Tezpur, Assam (India)

    2016-09-15

    Rare earth oxide (Tb{sup 3+}:Gd{sub 2}O{sub 3} and Eu{sup 3+}:Gd{sub 2}O{sub 3}) nanophosphors are exploited through spectroscopic and microscopic tools with special emphasis on D-F mediated radiative emission and Raman active vibrational modes. Powder X-ray diffraction measurements have revealed cubic crystal structure of the nanosystems and with an average crystallite size varying between ∝3.2 and 4.8 nm. Photoluminescence (PL) spectra of Tb{sup 3+} doped systems signify intense blue-green (∝490 nm) and green (∝544 nm) emissions mediated by {sup 5}D{sub 4} → {sup 7}F{sub 6} and {sup 5}D{sub 4} → {sup 7}F{sub 5} transitional events; respectively. In the PL responses of Eu{sup 3+} doped nanoparticle systems, we also identify magnetically-driven {sup 5}D{sub 0} → {sup 7}F{sub 1} (∝591 nm) and electrically driven {sup 5}D{sub 0} → {sup 7}F{sub 2} (∝619 nm) radiative features which seem to improve with increasing doping level. However, the magnitude of Judd-Ofelt (J-O) intensity parameters (Ω {sub 2,} {sub 4}), is significantly lowered for the high doping cases. Raman spectra of the undoped and RE doped systems exhibited several A{sub g} and F{sub g} modes in the range of Raman shift ∝100-600 cm{sup -1}. In the Raman spectra, the peaks located at ∝355 cm{sup -1} are assigned to the mixed mode of F{sub g} + A{sub g}, the line width of which was found to increase with RE doping. Moreover, owing to the enhanced defect concentration in the doped systems than its undoped counterpart, we anticipate a faster phonon relaxation and consequently, a suppression of phonon lifetime in the former case. (orig.)

  8. Periodontitis diagnostics using resonance Raman spectroscopy on saliva

    Science.gov (United States)

    Gonchukov, S.; Sukhinina, A.; Bakhmutov, D.; Biryukova, T.; Tsvetkov, M.; Bagratashvily, V.

    2013-07-01

    In view of its wealth of molecular information, Raman spectroscopy has been the subject of active biomedical research. The aim of this work is Raman spectroscopy (RS) application for the determination of molecular biomarkers in saliva with the objective of early periodontitis detection. As was shown in our previous study, carotenoids contained in saliva can be molecular fingerprint information for the periodontitis level. It is shown here that the carotenoid RS lines at wavenumbers of 1156 and 1524 cm-1 can be easily detected and serve as reliable biomarkers of periodontitis using resonance Raman spectroscopy of dry saliva.

  9. Periodontitis diagnostics using resonance Raman spectroscopy on saliva

    International Nuclear Information System (INIS)

    Gonchukov, S; Sukhinina, A; Bakhmutov, D; Biryukova, T; Tsvetkov, M; Bagratashvily, V

    2013-01-01

    In view of its wealth of molecular information, Raman spectroscopy has been the subject of active biomedical research. The aim of this work is Raman spectroscopy (RS) application for the determination of molecular biomarkers in saliva with the objective of early periodontitis detection. As was shown in our previous study, carotenoids contained in saliva can be molecular fingerprint information for the periodontitis level. It is shown here that the carotenoid RS lines at wavenumbers of 1156 and 1524 cm −1 can be easily detected and serve as reliable biomarkers of periodontitis using resonance Raman spectroscopy of dry saliva. (letter)

  10. The use of lasers as sources for Raman spectrometry, resonance Raman spectrometry, and light scattering

    International Nuclear Information System (INIS)

    Capitini, R.; Ceccaldi, M.; Leicknam, J.P.; Plus, R.

    1975-01-01

    The activity of the laboratory is principally centred on the determination of molecular structures and the study of molecular interactions in solution by infrared and Raman spectrometry. With the development of work on relatively large molecules, particularly biological molecules, it became necessary to complete information on the molecular weight and on the intra and intermolecular geometry and interactions of these bodies. In order to obtain these informations Rayleigh scattering and resonance Raman spectrometry were used. The advantages of using vibrational spectrometry, particularly Raman, in conjunction with the diffusion of light for these structural and molecular interaction studies is emphasized. It is shown that these two techniques could not have developed as they have done in the last few years without the use of lasers as light source [fr

  11. All-solid-state, synchronously pumped, ultrafast BaWO4 Raman laser with long and short Raman shifts generating at 1180, 1225, and 1323 nm

    Science.gov (United States)

    Frank, Milan; Jelínek, Michal; Kubeček, Václav; Ivleva, Lyudmila I.; Zverev, Petr G.; Smetanin, Sergei

    2017-12-01

    A lot of attention is currently focused on synchronously pumped, extra-cavity crystalline Raman lasers generating one or two Stokes Raman components in KGW or diamond Raman-active crystals, and also generating additional components of stimulated polariton scattering in lithium niobate crystal having both cubic and quadratic nonlinearities. In this contribution we report on generation of more than two Stokes components of stimulated Raman scattering with different Raman shifts in the all-solid-state, synchronously pumped, extra-cavity Raman laser based on the Raman-active a-cut BaWO4 crystal excited by a mode-locked, 220 nJ, 36 ps, 150 MHz diode sidepumped Nd:GdVO4 laser generating at the wavelength of 1063 nm. Excitation by the pumping radiation polarized along the BaWO4 crystal optical axis resulted in the Raman generation with not only usual (925cm - 1), but also additional (332cm - 1) Raman shift. Besides the 1180-nm first and 1323 nm second Stokes components with the Raman shift of 925cm - 1 from the 1063nm fundamental laser wavelength, we have achieved generation of the additional 1227 nm Raman component with different Raman shift of 332cm - 1 from the 1180nm component. At the 1227 nm component the strongest 12-times pulse shortening from 36ps down to 3ps was obtained due to shorter dephasing time of this additional Raman line (3ps for the 332-cm - 1 line instead of 6.5ps for the 925cm - 1 line). It has to be also noted that the 1225 nm generation is intracavity pumped by the 1179 nm first Stokes component resulting in the strongest pulse shortening close to the 332cm -1 line dephasing time (3ps). Slope efficiency of three Stokes components generation exceeded 20%.

  12. Noticeable red emission and Raman active modes in nanoscale gadolinium oxyfluoride (Gd{sub 4}O{sub 3}F{sub 6}) systems with Eu{sup 3+} inclusion

    Energy Technology Data Exchange (ETDEWEB)

    Hazarika, Samiran; Mohanta, Dambarudhar [Tezpur University, Nanoscience and Soft Matter Laboratory, Department of Physics, Tezpur, Assam (India)

    2017-05-15

    Eu{sup 3+} doped gadolinium oxyfluoride (Gd{sub 4}O{sub 3}F{sub 6}, GOF) nanoscale systems have been synthesized following a modified Pechini method. While exhibiting a tetragonal crystal structure, the GOF nanosystem gave an average crystallite size (d) of ∝21-26 nm. The Lotgering factor (L{sub F}), which is a measure of orientation of crystallites along the preferred direction was found to vary between 0.22 and 0.48. In the photoluminescence spectra, ∝595 and ∝613 nm peaks were identified as magnetically driven ({sup 5}D{sub 0} → {sup 7}F{sub 1}) and electrically driven ({sup 5}D{sub 0} → {sup 7}F{sub 2}) transitions with latter (red emission) being strongly manifested with Eu{sup 3+} doping concentration and intrinsic defects. Moreover, several Raman active modes have been probed in the Raman spectra with low frequency peaks (<300 cm{sup -1}) and moderate frequency peaks (∝481 and 567 cm{sup -1}) assigned to observable vibration of heavy atom Gd-Gd pairs and Gd-O groups, respectively. Apart from manifestation of phononic features, inclusion of Eu{sup 3+} in the host lattice would bring new insight on improving the red emission response prior to concentration quenching. (orig.)

  13. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of O-desmethyltramadol hydrochloride an active metabolite in tramadol--an analgesic drug.

    Science.gov (United States)

    Arjunan, V; Santhanam, R; Marchewka, M K; Mohan, S

    2014-03-25

    O-desmethyltramadol is one of the main metabolites of tramadol widely used clinically and has analgesic activity. The FTIR and FT-Raman spectra of O-desmethyl tramadol hydrochloride are recorded in the solid phase in the regions 4000-400 cm(-1) and 4000-100 cm(-1), respectively. The observed fundamentals are assigned to different normal modes of vibration. Theoretical studies have been performed as its hydrochloride salt. The structure of the compound has been optimised with B3LYP method using 6-31G(**) and cc-pVDZ basis sets. The optimised bond length and bond angles are correlated with the X-ray data. The experimental wavenumbers were compared with the scaled vibrational frequencies determined by DFT methods. The IR and Raman intensities are determined with B3LYP method using cc-pVDZ and 6-31G(d,p) basic sets. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/cc-pVDZ method to display electrostatic potential (electron+nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of O-desmethyltramadol hydrochloride has been performed to indicate the presence of intramolecular charge transfer. The (1)H and (13)C NMR chemical shifts of the molecule have been anlysed. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. Conjugated Polymer with Intrinsic Alkyne Units for Synergistically Enhanced Raman Imaging in Living Cells.

    Science.gov (United States)

    Li, Shengliang; Chen, Tao; Wang, Yunxia; Liu, Libing; Lv, Fengting; Li, Zhiliang; Huang, Yanyi; Schanze, Kirk S; Wang, Shu

    2017-10-16

    Development of Raman-active materials with enhanced and distinctive Raman vibrations in the Raman-silent region (1800-2800 cm -1 ) is highly required for specific molecular imaging of living cells with high spatial resolution. Herein, water-soluble cationic conjugated polymers (CCPs), poly(phenylene ethynylene) (PPE) derivatives, are explored for use as alkyne-state-dependent Raman probes for living cell imaging due to synergetic enhancement effect of alkyne vibrations in Raman-silent region compared to alkyne-containing small molecules. The enhanced alkyne signals result from the integration of alkyne groups into the rigid backbone and the delocalized π-conjugated structure. PPE-based conjugated polymer nanoparticles (CPNs) were also prepared as Raman-responsive nanomaterials for distinct imaging application. This work opens a new way into the development of conjugated polymer materials for enhanced Raman imaging. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Application of micro-Raman spectroscopy for fight against terrorism and smuggling

    Science.gov (United States)

    Almaviva, Salvatore; Botti, Sabina; Palucci, Antonio; Puiu, Adriana; Schnürer, Frank; Schweikert, Wenka; Romolo, Francesco Saverio

    2014-04-01

    We report the results of Raman measurements on some common military explosives and explosives precursors deposited on clothing fabrics, both synthetic and natural, in concentration comparable to those obtained from a single fingerprint or mixed with similar harmless substances to detect illegal compounds for smuggling activities. Raman spectra were obtained using an integrated portable Raman system equipped with an optical microscope and a 785-nm laser in an analysis of smuggling purposes or for counterfeiting activities.

  16. Raman spectroscopy for diagnosis of glioblastoma multiforme

    Science.gov (United States)

    Clary, Candace Elise

    Glioblastoma multiforme (GBM), the most common and most fatal malignant brain tumor, is highly infiltrative and incurable. Although improved prognosis has been demonstrated by surgically resecting the bulk tumor, a lack of clear borders at the tumor margins complicates the selection decision during surgery. This dissertation investigates the potential of Raman spectroscopy for distinguishing between normal and malignant brain tissue and sets the groundwork for a surgical diagnostic guide for resection of gross malignant gliomas. These studies revealed that Raman spectroscopy was capable of discriminating between normal scid mouse brain tissue and human xenograft tumors induced in those mice. The spectra of normal and malignant tissue were normalized by dividing by the respective magnitudes of the peaks near 1440 cm -1. Spectral differences include the shape of the broad peaks near 1440 cm-1 and 1660 cm-1 and the relative magnitudes of the peaks at 1264 cm-1, 1287 cm-1, 1297 cm-1, 1556 cm -1, 1586 cm-1, 1614 cm-1, and 1683 cm-1. From these studies emerged questions regarding how to objectively normalize and compare spectra for future automation. Some differences in the Raman spectra were shown to be inherent in the disease states of the cells themselves via differences in the Raman spectra of normal human astrocytes in culture and cultured cells derived from GBM tumors. The spectra of astrocytes and glioma cells were normalized by dividing by the respective magnitudes of the peaks near 1450 cm-1. The differences between the Raman spectra of normal and transformed cells include the ratio of the 1450 cm-1/1650 cm-1 peaks and the relative magnitudes of the peaks at 1181 cm-1, 1191 cm-1, 1225 cm-1, 1263 cm -1, 1300 cm-1, 1336 cm-1, 1477 cm-1, 1494 cm-1, and 1695 cm -1. Previous Raman spectroscopic studies of biological cells have shown that the magnitude of the Raman signal decreases over time, indicating sample damage. Cells exposed to laser excitation at similar power

  17. Highly active surface-enhanced Raman scattering (SERS) substrates based on gold nanoparticles infiltrated into SiO{sub 2} inverse opals

    Energy Technology Data Exchange (ETDEWEB)

    Ankudze, Bright; Philip, Anish [Department of Chemistry, University of Eastern Finland, P.O. Box 111, F1-80101, Joensuu (Finland); Pakkanen, Tuula T., E-mail: Tuula.Pakkanen@uef.fi [Department of Chemistry, University of Eastern Finland, P.O. Box 111, F1-80101, Joensuu (Finland); Matikainen, Antti; Vahimaa, Pasi [Institute of Photonics, University of Eastern Finland, P.O. Box 111, F1-80101, Joensuu (Finland)

    2016-11-30

    Highlights: • SERS substrates prepared by infiltration of nanoparticles into SiO{sub 2} inverse opal. • The SERS substrate gives an enhancement factor of 10{sup 7} for 4-aminothiophenol. • The sensitivity of the substrate is mainly attributed to gold nanoparticle clusters. - Abstract: SiO{sub 2} inverse opal (IO) films with embedded gold nanoparticles (AuNPs) for surface-enhanced Raman scattering (SERS) application are reported. SiO{sub 2} IO films were loaded with AuNPs by a simple infiltration in a single cycle to form Au-SiO{sub 2} IOs. The optical property and the morphology of the Au-SiO{sub 2} IO substrates were characterized; it was observed that they retained the Bragg diffraction of SiO{sub 2} IO and the localized surface plasmon resonance (LSPR) of AuNPs. The SERS property of the Au-SiO{sub 2} IO substrates were studied with methylene blue (MB) and 4-aminothiophenol (4-ATP). The SERS enhancement factors were 10{sup 7} and 10{sup 6} for 4-ATP and MB, respectively. A low detection limit of 10{sup −10} M for 4-ATP was also obtained with the Au-SiO{sub 2} IO substrate. A relative standard deviation of 18.5% for the Raman signals intensity at 1077 cm{sup −1} for 4-ATP shows that the Au-SiO{sub 2} IO substrates have good signal reproducibility. The results of this study indicate that the Au-SiO{sub 2} IO substrates can be used in sensing and SERS applications.

  18. Diffusion measurements by Raman spectroscopy

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Shapiro, Alexander; Berg, Rolf W.

    Poster "Diffusion measurements by Raman spectroscopy", See poster at http://www.kemi.dtu.dk/~ajo/rolf/petroday2004.ppt......Poster "Diffusion measurements by Raman spectroscopy", See poster at http://www.kemi.dtu.dk/~ajo/rolf/petroday2004.ppt...

  19. Imaging with extrinsic Raman labels

    NARCIS (Netherlands)

    Sijtsema, N M; Duindam, J J; Puppels, G J; Otto, C; Greve, J

    1996-01-01

    In two separate examples we demonstrate the use of extrinsic Raman scattering probes for imaging of biological samples. First, the distribution of cholesterol in a rat eye Lens is determined with the use of the Raman scattered light from filipin, a molecule which binds specifically to cholesterol.

  20. Raman scattering tensors of tyrosine.

    Science.gov (United States)

    Tsuboi, M; Ezaki, Y; Aida, M; Suzuki, M; Yimit, A; Ushizawa, K; Ueda, T

    1998-01-01

    Polarized Raman scattering measurements have been made of a single crystal of L-tyrosine by the use of a Raman microscope with the 488.0-nm exciting beam from an argon ion laser. The L-tyrosine crystal belongs to the space group P2(1)2(1)2(1) (orthorhombic), and Raman scattering intensities corresponding to the aa, bb, cc, ab and ac components of the crystal Raman tensor have been determined for each prominent Raman band. A similar set of measurements has been made of L-tyrosine-d4, in which four hydrogen atoms on the benzene ring are replaced by deuterium atoms. The effects of NH3-->ND3 and OH-->OD on the Raman spectrum have also been examined. In addition, depolarization ratios of some bands of L-tyrosine in aqueous solutions of pH 13 and pH 1 were examined. For comparison with these experimental results, on the other hand, ab initio molecular orbital calculations have been made of the normal modes of vibration and their associated polarizability oscillations of the L-tyrosine molecule. On the basis of these experimental data and by referring to the results of the calculations, discussions have been presented on the Raman tensors associated to some Raman bands, including those at 829 cm-1 (benzene ring breathing), 642 cm-1 (benzene ring deformation), and 432 cm-1 (C alpha-C beta-C gamma bending).

  1. Fabrication of High-performance Sm-Fe-N isotropic bulk magnets by a combination of High-pressure compaction and current sintering

    Energy Technology Data Exchange (ETDEWEB)

    Takagi, Kenta, E-mail: k-takagi@aist.go.jp [Materials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technology (AIST), Nagoya 463-8560 (Japan); Nakayama, Hiroyuki; Ozaki, Kimihiro; Kobayashi, Keizo [Materials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technology (AIST), Nagoya 463-8560 (Japan)

    2012-04-15

    TbCu{sub 7}-type Sm-Fe-N coarse powders in the flake form were consolidated without a bonding medium using a low-thermal-load process of current sintering combined with high-pressure compression. When compacted at 1.2 GPa, the relative density of the powder was increased by 80% with close stacking of the flake particles. Although the subsequent current heating was only briefly performed at a low temperature of 400 Degree-Sign C to avoid decomposition, the compact was consolidated into a rigid bulk in which the particles were bonded at the atomic level. Finally, by using cyclic compaction, this process produced bulk magnets with a density of 92% that exhibited the highest maximum energy product (BH)max of 16.2 MGOe, which surpasses that of conventional isotropic Sm-Fe-N bond magnets. - Highlights: Black-Right-Pointing-Pointer We conduct a consolidation of Sm{sub 1}Fe{sub 7}N bulk magnets without thermal decomposition. Black-Right-Pointing-Pointer Rapid current sintering with high-pressure compaction is used as a low-thermal-load process. Black-Right-Pointing-Pointer In this process, sintering occurs at a temperature of 400 Degree-Sign C, which is below the decomposition point. Black-Right-Pointing-Pointer As a result, bulk magnets with a density of over 92% are obtained without decomposition. Black-Right-Pointing-Pointer These magnets exhibit the highest (BH)max (16.2 MGOe) among isotropic Sm-Fe-N magnets.

  2. Miniature Raman spectrometer development

    Science.gov (United States)

    Bonvallet, Joseph; Auz, Bryan; Rodriguez, John; Olmstead, Ty

    2018-02-01

    The development of techniques to rapidly identify samples ranging from, molecule and particle imaging to detection of high explosive materials, has surged in recent years. Due to this growing want, Raman spectroscopy gives a molecular fingerprint, with no sample preparation, and can be done remotely. These systems can be small, compact, lightweight, and with a user interface that allows for easy use and sample identification. Ocean Optics Inc. has developed several systems that would meet all these end user requirements. This talk will describe the development of different Ocean Optics Inc miniature Raman spectrometers. The spectrometer on a phone (SOAP) system was designed using commercial off the shelf (COTS) components, in a rapid product development cycle. The footprint of the system measures 40x40x14 mm (LxWxH) and was coupled directly to the cell phone detector camera optics. However, it gets roughly only 40 cm-1 resolution. The Accuman system is the largest (290x220X100 mm) of the three, but uses our QEPro spectrometer and get 7-11 cm-1 resolution. Finally, the HRS-30 measuring 165x85x40 mm is a combination of the other two systems. This system uses a modified EMBED spectrometer and gets 7-12 cm-1 resolution. Each of these units uses a peak matching algorithm that then correlates the results to the pre-loaded and customizable spectral libraries.

  3. Femtosecond Broadband Stimulated Raman Spectroscopy

    International Nuclear Information System (INIS)

    Lee, Soo-Y; Yoon, Sagwoon; Mathies, Richard A

    2006-01-01

    Femtosecond broadband stimulated Raman spectroscopy (FSRS) is a new technique where a narrow bandwidth picosecond Raman pump pulse and a red-shifted broadband femtosecond Stokes probe pulse (with or without time delay between the pulses) act on a sample to produce a high resolution Raman gain spectrum with high efficiency and speed, free from fluorescence background interference. It can reveal vibrational structural information and dynamics of stationary or transient states. Here, the quantum picture for femtosecond broadband stimulated Raman spectroscopy (FSRS) is used to develop the semiclassical coupled wave theory of the phenomenon and to derive an expression for the measurable Raman gain in FSRS. The semiclassical theory is applied to study the dependence of lineshapes in FSRS on the pump-probe time delay and to deduce vibrational dephasing times in cyclohexane in the ground state

  4. Blood analysis by Raman spectroscopy.

    Science.gov (United States)

    Enejder, Annika M K; Koo, Tae-Woong; Oh, Jeankun; Hunter, Martin; Sasic, Slobodan; Feld, Michael S; Horowitz, Gary L

    2002-11-15

    Concentrations of multiple analytes were simultaneously measured in whole blood with clinical accuracy, without sample processing, using near-infrared Raman spectroscopy. Spectra were acquired with an instrument employing nonimaging optics, designed using Monte Carlo simulations of the influence of light-scattering-absorbing blood cells on the excitation and emission of Raman light in turbid medium. Raman spectra were collected from whole blood drawn from 31 individuals. Quantitative predictions of glucose, urea, total protein, albumin, triglycerides, hematocrit, and hemoglobin were made by means of partial least-squares (PLS) analysis with clinically relevant precision (r(2) values >0.93). The similarity of the features of the PLS calibration spectra to those of the respective analyte spectra illustrates that the predictions are based on molecular information carried by the Raman light. This demonstrates the feasibility of using Raman spectroscopy for quantitative measurements of biomolecular contents in highly light-scattering and absorbing media.

  5. Evaluation of 54Fe(n,2n)53m+gFe reaction cross sections for high energy dosimetry applications

    International Nuclear Information System (INIS)

    Zolotarev, K.I.; Pashchenko, A.B.

    2001-01-01

    The new evaluation of excitation function for the high energy threshold 54 Fe(n,2n) 53m+g Fe dosimetry reaction in the energy range from the threshold to 20 MeV is briefly described. The cross section uncertainties and the covariance matrix were estimated simultaneously from the analysis. The adopted curve is compared to the available processed experimental data and the existing FEI-93, ENDF/B-VI and JENDL-3.2 evaluations. The ENDF-6 formatted data file is available from the Web site of the Russian Nuclear Data Center (RNDC) online (http://www.rndc.ippe.obninsk.ru). (author)

  6. First principles calculations of the magnetic and hyperfine properties of Fe/N/Fe and Fe/O/Fe multilayers in the ground state of cohesive energy

    Science.gov (United States)

    dos Santos, A. V.; Samudio Pérez, C. A.; Muenchen, D.; Anibele, T. P.

    2015-01-01

    The ground state properties of Fe/N/Fe and Fe/O/Fe multilayers were investigated using the first principles calculations. The calculations were performed using the Linearized Augmented Plane Wave (LAPW) method implemented in the Wien2k code. A supercell consisting of one layer of nitride (or oxide) between two layers of Fe in the bcc structure was used to model the structure of the multilayer. The research in new materials also stimulated theoretical and experimental studies of iron-based nitrides due to their variety of structural and magnetic properties for the potential applications as in high strength steels and for high corrosion resistance. It is obvious from many reports that magnetic iron nitrides such as γ-Fe4N and α-Fe16N2 have interesting magnetic properties, among these a high magnetisation saturation and a high density crimp. However, although Fe-N films and multilayers have many potential applications, they can be produced in many ways and are being extensively studied from the theoretical point of view there is no detailed knowledge of their electronic structure. Clearly, efforts to understand the influence of the nitrogen atoms on the entire electronic structure are needed as to correctly interpret the observed changes in the magnetic properties when going from Fe-N bulk compounds to multilayer structures. Nevertheless, the N atoms are not solely responsible for electronics alterations in solid compounds. Theoretical results showed that Fe4X bulk compounds, where X is a variable atom with increasing atomic number (Z), the nature of bonding between X and adjacent Fe atoms changes from more covalent to more ionic and the magnetic moments of Fe also increase for Z=7, i.e. N. This is an indicative that atoms with a Z number higher than 7, i.e., O, can produce several new alterations in the entire magnetic properties of Fe multilayers. This paper presents the first results of an ab-initio electronic structure calculations, performed for Fe-N and Fe

  7. Fourier transform Raman spectroscopy of synthetic and biological calcium phosphates.

    Science.gov (United States)

    Sauer, G R; Zunic, W B; Durig, J R; Wuthier, R E

    1994-05-01

    Fourier-transform (FT) Raman spectroscopy was used to characterize the organic and mineral components of biological and synthetic calcium phosphate minerals. Raman spectroscopy provides information on biological minerals that is complimentary to more widely used infrared methodologies as some infrared-inactive vibrational modes are Raman-active. The application of FT-Raman technology has, for the first time, enabled the problems of high sample fluorescence and low signal-to-noise that are inherent in calcified tissues to be overcome. Raman spectra of calcium phosphates are dominated by a very strong band near 960 cm-1 that arises from the symmetric stretching mode (v1) of the phosphate group. Other Raman-active phosphate vibrational bands are seen at approximately 1075 (v3), 590 (v4), and 435 cm-1 (v2). Minerals containing acidic phosphate groups show additional vibrational modes. The different calcium phosphate mineral phases can be distinguished from one another by the relative positions and shapes of these bands in the Raman spectra. FT-Raman spectra of nascent, nonmineralized matrix vesicles (MV) show a distinct absence of the phosphate v1 band even though these structures are rich in calcium and phosphate. Similar results were seen with milk casein and synthetic Ca-phosphatidyl-serine-PO4 complexes. Hence, the phosphate and/or acidic phosphate ions in these noncrystalline biological calcium phosphates is in a molecular environment that differs from that in synthetic amorphous calcium phosphate. In MV, the first distinct mineral phase to form contained acidic phosphate bands similar to those seen in octacalcium phosphate. The mineral phase present in fully mineralized MV was much more apatitic, resembling that found in bones and teeth.(ABSTRACT TRUNCATED AT 250 WORDS)

  8. Vibrational properties of epitaxial Bi4Te3 films as studied by Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Hao Xu

    2015-08-01

    Full Text Available Bi4Te3, as one of the phases of the binary Bi–Te system, shares many similarities with Bi2Te3, which is known as a topological insulator and thermoelectric material. We report the micro-Raman spectroscopy study of 50 nm Bi4Te3 films on Si substrates prepared by molecular beam epitaxy. Raman spectra of Bi4Te3 films completely resolve the six predicted Raman-active phonon modes for the first time. Structural features and Raman tensors of Bi4Te3 films are introduced. According to the wavenumbers and assignments of the six eigenpeaks in the Raman spectra of Bi4Te3 films, it is found that the Raman-active phonon oscillations in Bi4Te3 films exhibit the vibrational properties of those in both Bi and Bi2Te3 films.

  9. Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2.

    Science.gov (United States)

    Ushakov, Vladimir G; Troe, Jürgen; Johnson, Ryan S; Guo, Hua; Ard, Shaun G; Melko, Joshua J; Shuman, Nicholas S; Viggiano, Albert A

    2015-08-14

    The rates of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2 are modeled by statistical rate theory accounting for energy- and angular momentum-specific rate constants for formation of the primary and secondary cationic adducts and their backward and forward reactions. The reactions are both suggested to proceed on sextet and quartet potential energy surfaces with efficient, but probably not complete, equilibration by spin-inversion of the populations of the sextet and quartet adducts. The influence of spin-inversion on the overall reaction rate is investigated. The differences of the two reaction rates mostly are due to different numbers of entrance states (atom + linear rotor or linear rotor + linear rotor, respectively). The reaction Fe(+) + N2O was studied either with (6)Fe(+) or with (4)Fe(+) reactants. Differences in the rate constants of (6)Fe(+) and (4)Fe(+) reacting with N2O are attributed to different contributions from electronically excited potential energy surfaces, such as they originate from the open-electronic shell reactants.

  10. A facile template approach for the synthesis of mesoporous Fe3C/Fe-N-doped carbon catalysts for efficient and durable oxygen reduction reaction

    Institute of Scientific and Technical Information of China (English)

    Shuai Li; Bo Li; Liang Ma; Jia Yang; Hangxun Xu

    2017-01-01

    Facile synthetic approaches toward the development of efficient and durable nonprecious metal catalysts for the oxygen reduction reaction (ORR) are very important for commercializing advanced electrochemical devices such as fuel cells and metal-air batteries.Here we report a novel template approach to synthesize mesoporous Fe-N-doped carbon catalysts encapsulated with Fe3C nanoparticles.In this approach,the layer-structured FeOCl was first used as a template for the synthesis of a three-dimensional polypyrrole (PPy) structure.During the removal of the FeOCl template,the Fe3+ can be absorbed by PPy and then converted into Fe3C nanoparticles and Fe-N-C sites during the pyrolyzing process.As a result,the as-prepared catalysts could exhibit superior electrocatalytic ORR performance to the commercial Pt/C catalyst in alkaline solutions.Furthermore,the Zn-air battery assembled using the mesoporous carbon catalyst as the air electrode could surpass the commercial Pt/C catalyst in terms of the power density and energy density.

  11. Scanning angle Raman spectroscopy: Investigation of Raman scatter enhancement techniques for chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Matthew W. [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    This thesis outlines advancements in Raman scatter enhancement techniques by applying evanescent fields, standing-waves (waveguides) and surface enhancements to increase the generated mean square electric field, which is directly related to the intensity of Raman scattering. These techniques are accomplished by employing scanning angle Raman spectroscopy and surface enhanced Raman spectroscopy. A 1064 nm multichannel Raman spectrometer is discussed for chemical analysis of lignin. Extending dispersive multichannel Raman spectroscopy to 1064 nm reduces the fluorescence interference that can mask the weaker Raman scattering. Overall, these techniques help address the major obstacles in Raman spectroscopy for chemical analysis, which include the inherently weak Raman cross section and susceptibility to fluorescence interference.

  12. Generation of nanospikes via laser ablation of metals in liquid environment and their activity in surface-enhanced Raman scattering of organic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Truong, S. Lau; Levi, G.; Bozon-Verduraz, F. [ITODYS, UMR-CNRS 7086, Universite Paris 7-Denis Diderot, 2, place Jussieu, 75251 Paris cedex 05 (France); Petrovskaya, A.V.; Simakin, A.V. [Wave Research Center of A.M. Prokhorov General Physics Institute of the Russian Academy of Sciences, 38 Vavilov street, 119991 Moscow (Russian Federation); Shafeev, G.A. [Wave Research Center of A.M. Prokhorov General Physics Institute of the Russian Academy of Sciences, 38 Vavilov street, 119991 Moscow (Russian Federation)], E-mail: shafeev@kapella.gpi.ru

    2007-12-15

    The formation of dense arrays of nanospikes occurs under laser ablation of bulk targets (Ag, Au, Ta, Ti) immersed in liquids such as water or ethanol. The average height of spikes is 50 nm and their density on the target amounts to 10{sup 10} cm{sup -2}. The effect is observed with sufficiently short laser pulses. In particular, either a 350 ps or a 90 ps Nd:YAG lasers are used in their fundamental harmonics. The nanospikes are characterized by UV-Visible reflection spectrometry and atomic force microscopy. The oscillations of electrons within nanospikes result in a permanent coloration of the surface and a modification of the optical reflection spectra of the metal. Scanning the laser beam along the metal surface allows its nanostructuring over extended areas ({approx}1 cm{sup 2}). The nanostructured Ag surface shows enhanced Raman scattering of acridine molecules at a concentration of 10{sup -5} M/l, whereas the initial Ag targets do not show any signal within the accuracy of measurements.

  13. Focused ion beam-fabricated Au micro/nanostructures used as a surface enhanced Raman scattering-active substrate for trace detection of molecules and influenza virus

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Ying-Yi; Liao, Jiunn-Der; Ju, Yu-Hung; Chang, Chia-Wei [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan (China); Shiau, Ai-Li, E-mail: jdliao@mail.ncku.edu.tw [Department of Microbiology and Immunology, National Cheng Kung University, No 1, University Road, Tainan 70101, Taiwan (China)

    2011-05-06

    The focused ion beam (FIB) technique was used to precisely fabricate patterned Au micro/nanostructures (fibAu). The effects of surface enhanced Raman scattering (SERS) on the fibAu samples were investigated by adjusting the geometrical, dimensional, and spacing factors. The SERS mechanism was evaluated using low-concentration rhodamine 6G (R6G) molecules, physically adsorbed or suspended on/within the micro/nanostructures. The results indicated that for detecting R6G molecules, hexagon-like micro/nanostructures induced a higher electromagnetic mechanism (EM) due to the availability of multiple edges and small curvature. By decreasing the dimensions from 300 to 150 nm, the laser-focused area contained an increasing number of micro/nanostructures and therefore intensified the excitation of SERS signals. Moreover, with an optimized geometry and dimensions of the micro/nanostructures, the relative intensity/surface area value reached a maximum as the spacing was 22 nm. An exponential decrease was found as the spacing was increased, which most probably resulted from the loss of EM. The spacing between the micro/nanostructures upon the fibAu was consequently regarded as the dominant factor for the detection of R6G molecules. By taking an optimized fibAu to detect low-concentration influenza virus, the amino acids from the outermost surface of the virus can be well distinguished through the SERS mechanism.

  14. Detection of latent prints by Raman imaging

    Science.gov (United States)

    Lewis, Linda Anne [Andersonville, TN; Connatser, Raynella Magdalene [Knoxville, TN; Lewis, Sr., Samuel Arthur

    2011-01-11

    The present invention relates to a method for detecting a print on a surface, the method comprising: (a) contacting the print with a Raman surface-enhancing agent to produce a Raman-enhanced print; and (b) detecting the Raman-enhanced print using a Raman spectroscopic method. The invention is particularly directed to the imaging of latent fingerprints.

  15. Frequency shifts in stimulated Raman scattering

    International Nuclear Information System (INIS)

    Zinth, W.; Kaiser, W.

    1980-01-01

    The nonresonant contributions to the nonlinear susceptibility chisup(()3) produce a frequency chirp during stimulated Raman scattering. In the case of transient stimulated Raman scattering, the spectrum of the generated Stokes pulse is found at higher frequencies than expected from spontaneous Raman data. The frequency difference can be calculated from the theory of stimulated Raman scattering. (orig.)

  16. Raman spectra of lithium compounds

    Science.gov (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

    2017-11-01

    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  17. The new insight into the structure-activity relation of Pd/CeO2-ZrO2-Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysis.

    Science.gov (United States)

    Yang, X; Yang, L; Lin, J; Zhou, R

    2016-01-28

    Pd/CeO2-ZrO2-Nd2O3 (CZN) catalysts with different CeO2/ZrO2 molar ratios were synthesized and have been characterized by multiple techniques, e.g. XRD in combination with Rietveld refinement, UV-Raman, XPS and in situ DRIFTS. The XRD pattern of CZN with CeO2/ZrO2 molar ratios ≥1/2 can be indexed satisfactorily to the fluorite structure with a space group Fm3̄m, while the XRD patterns of CZ12 only display diffraction peaks of the tetragonal phase (S.G. P42/nmc). Nd addition can effectively stabilize the cubic structure of the CZN support and increase the enrichment of defect sites on the surface, which may be related to the better catalytic activity of Pd/CZN12 catalysts compared with Pd/CZ12. The presence of moderate ZrO2 can increase the concentration of O* active species, leading to accelerate the formation of nitrate species and thus enhance the catalytic activity of NOx and HC elimination. The Pd-dispersion decreases with the increasing Zr content, leading to the decreased CO catalytic activity, especially for the aged catalysts. The change regularity of the OSC value is almost the same with the in situ dynamic operational window, demonstrating that the in situ dynamic operational window is basically affected by the OSC value.

  18. Intricate Resonant Raman Response in Anisotropic ReS2.

    Science.gov (United States)

    McCreary, Amber; Simpson, Jeffrey R; Wang, Yuanxi; Rhodes, Daniel; Fujisawa, Kazunori; Balicas, Luis; Dubey, Madan; Crespi, Vincent H; Terrones, Mauricio; Hight Walker, Angela R

    2017-10-11

    The strong in-plane anisotropy of rhenium disulfide (ReS 2 ) offers an additional physical parameter that can be tuned for advanced applications such as logic circuits, thin-film polarizers, and polarization-sensitive photodetectors. ReS 2 also presents advantages for optoelectronics, as it is both a direct-gap semiconductor for few-layer thicknesses (unlike MoS 2 or WS 2 ) and stable in air (unlike black phosphorus). Raman spectroscopy is one of the most powerful characterization techniques to nondestructively and sensitively probe the fundamental photophysics of a 2D material. Here, we perform a thorough study of the resonant Raman response of the 18 first-order phonons in ReS 2 at various layer thicknesses and crystal orientations. Remarkably, we discover that, as opposed to a general increase in intensity of all of the Raman modes at excitonic transitions, each of the 18 modes behave differently relative to each other as a function of laser excitation, layer thickness, and orientation in a manner that highlights the importance of electron-phonon coupling in ReS 2 . In addition, we correct an unrecognized error in the calculation of the optical interference enhancement of the Raman signal of transition metal dichalcogenides on SiO 2 /Si substrates that has propagated through various reports. For ReS 2 , this correction is critical to properly assessing the resonant Raman behavior. We also implemented a perturbation approach to calculate frequency-dependent Raman intensities based on first-principles and demonstrate that, despite the neglect of excitonic effects, useful trends in the Raman intensities of monolayer and bulk ReS 2 at different laser energies can be accurately captured. Finally, the phonon dispersion calculated from first-principles is used to address the possible origins of unexplained peaks observed in the Raman spectra, such as infrared-active modes, defects, and second-order processes.

  19. Raman spectroscopy of white wines.

    Science.gov (United States)

    Martin, Coralie; Bruneel, Jean-Luc; Guyon, François; Médina, Bernard; Jourdes, Michael; Teissedre, Pierre-Louis; Guillaume, François

    2015-08-15

    The feasibility of exploiting Raman scattering to analyze white wines has been investigated using 3 different wavelengths of the incoming laser radiation in the near-UV (325 nm), visible (532 nm) and near infrared (785 nm). To help in the interpretation of the Raman spectra, the absorption properties in the UV-visible range of two wine samples as well as their laser induced fluorescence have also been investigated. Thanks to the strong intensity enhancement of the Raman scattered light due to electronic resonance with 325 nm laser excitation, hydroxycinnamic acids may be detected and analyzed selectively. Fructose and glucose may also be easily detected below ca. 1000 cm(-1). This feasibility study demonstrates the potential of the Raman spectroscopic technique for the analysis of white wines. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. All-Fiber Raman Probe

    DEFF Research Database (Denmark)

    Brunetti, Anna Chiara

    by means of fiber components. Assuming the possibility to use a fiber laser with a fundamental radiation at 1064nm, in-fiber efficient second harmonic generation is achieved by optically poling the core of the waveguide delivering the excitation light to the sample. In this way, Raman spectroscopy...... in the visible range can be performed. The simultaneous delivery of the excitation light and collection of the Raman signal from the sample are achieved by means of a doubleclad fiber, whose core and inner cladding act as \\independent" transmission channels. A double-clad fiber coupler allows for the recovery...... of the collected Raman scattering from the inner-cladding region of the double-clad fiber, thus replacing the bulk dichroic component normally used to demultiplex the pump and Raman signal. A tunable Rayleigh-rejection filter based on a liquid filled-photonic bandgap fiber is also demonstrated in this work...

  1. Coherent anti-Stokes Raman scattering (CARS) spectroscopy in Caenorhabditis elegans and Globodera pallida: evidence for an ivermectin-activated decrease in lipid stores.

    Science.gov (United States)

    Smus, Justyna P; Ludlow, Elizabeth; Dallière, Nicolas; Luedtke, Sarah; Monfort, Tual; Lilley, Catherine; Urwin, Peter; Walker, Robert J; O'Connor, Vincent; Holden-Dye, Lindy; Mahajan, Sumeet

    2017-12-01

    Macrocyclic lactones are arguably the most successful chemical class with efficacy against parasitic nematodes. Here we investigated the effect of the macrocyclic lactone ivermectin on lipid homeostasis in the plant parasitic nematode Globodera pallida and provide new insight into its mode of action. A non-invasive, non-destructive, label-free and chemically selective technique called Coherent anti-Stokes Raman scattering (CARS) spectroscopy was used to study lipid stores in G. pallida. We optimised the protocol using the free-living nematode Caenorhabditis elegans and then used CARS to quantify lipid stores in the pre-parasitic, non-feeding J2 stage of G. pallida. This revealed a concentration of lipid stores in the posterior region of J2 s within 24 h of hatching which decreased to undetectable levels over the course of 28 days. We tested the effect of ivermectin on J2 viability and lipid stores. Within 24 h, ivermectin paralysed J2 s. Counterintuitively, over the same time-course ivermectin increased the rate of depletion of J2 lipid, suggesting that in ivermectin-treated J2 s there is a disconnection between the energy requirements for motility and metabolic rate. This decrease in lipid stores would be predicted to negatively impact on J2 infective potential. These data suggest that the benefit of macrocyclic lactones as seed treatments may be underpinned by a multilevel effect involving both neuromuscular inhibition and acceleration of lipid metabolism. © 2017 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. © 2017 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

  2. Raman scattering study of filled skutterudite compounds

    International Nuclear Information System (INIS)

    Ogita, N; Kojima, R; Hasegawa, T; Takasu, Y; Udagawa, M; Kondo, T; Takeda, N; Ikeno, T; Ishikawa, K; Sugawara, H; Kikuchi, D; Sato, H; Sekine, C; Shirotani, I

    2007-01-01

    Raman scattering of skutterudite compounds RT 4 X 12 (R=La, Ce, Pr, Nd, Sm and Yb, T=Fe, Ru and Os, X=P and Sb) have been measured. All first-order Raman active phonons are observed and are assigned as the pnicogen vibrations. At the low energy region, the second-order phonons, due to the vibration of the rare earth ions with a flat phonon dispersion, are observed in the spectra of RRu 4 P 12 (R=La and Sm) and ROs 4 Sb 12 (R=La, Ce, Pr, Nd, and Sm). The appearance of the second-order phonons in the spectra is caused by an anharmonic vibrations of rare earth ions in large cage space and a large density of state due to the flat phonon dispersion. However, in spite of the similar cage space, the 2nd-order phonons are hardly observed for RFe 4 Sb 12 and RRu 4 Sb 12 . Thus, these results suggest that the dynamics of the rare earth ion is closely related to not only the cage size but also the electronic state due to the transition metals. Raman spectra of PrRu 4 P 12 show the drastic spectral change due to the metal-insulator transition. The phonon spectra and crystal field excitations due to the structural change have been assigned above and below the transition temperature

  3. Triplet State Resonance Raman Spectroscopy

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Jensen, N. H.; Pagsberg, Palle Bjørn

    1978-01-01

    Makes the first report on the resonance Raman spectrum of a molecule in its triplet state generated by pulse radiolysis. A solution of 0.01 mol dm-3 of p-terphenyl in benzene was studied......Makes the first report on the resonance Raman spectrum of a molecule in its triplet state generated by pulse radiolysis. A solution of 0.01 mol dm-3 of p-terphenyl in benzene was studied...

  4. Heating by the Raman instability

    International Nuclear Information System (INIS)

    Estabrook, K.G.; Kruer, W.L.

    1980-01-01

    Computer simulations are presented of the reflection and heating due to stimulated Raman backscatter of intense laser light in large regions of underdense plasma. The heated electron distribution is found to be approximately a Maxwellian of temperature (m/sub e//2)v/sub p/ 2 , where v/sub p/ is the phase velocity of the electron plasma wave. A simple model of the reflection is presented. Raman may cause a pre-heat problem with large laser fusion reactor targets

  5. High pressure Raman scattering study on the phase stability of LuVO4

    International Nuclear Information System (INIS)

    Rao, Rekha; Garg, Alka B.; Sakuntala, T.; Achary, S.N.; Tyagi, A.K.

    2009-01-01

    High pressure Raman spectroscopic investigations have been carried out on rare earth orthovanadate LuVO 4 upto 26 GPa. Changes in the Raman spectrum around 8 GPa across the reported zircon to scheelite transition are investigated in detail and compared with those observed in other vanadates. Co-existence of the zircon and scheelite phases is observed over a pressure range of about 8-13 GPa. The zircon to scheelite transition is irreversible upon pressure release. Subtle changes are observed in the Raman spectrum above 16 GPa which could be related to scheelite ↔ fergusonite transition. Pressure dependencies of the Raman active modes in the zircon and the scheelite phases are reported. - Graphical abstract: Study of scheelite-fergusonite transition in RVO 4 by Raman spectroscopy is rare. Here we report Raman spectroscopic investigations of LuVO 4 at high pressure to obtain insight into nature of post-scheelite phases.

  6. 45○ sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co3FeN/MnN bilayers.

    Science.gov (United States)

    Hajiri, Tetsuya; Yoshida, Takuya; Filianina, Mariia; Jaiswal, Samridh; Borie, Benjamin; Asano, H; Zabel, Hartmut; Klaui, Mathias

    2017-11-20

    We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45$^\\circ$ period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully epitaxial Co$_3$FeN/MnN bilayers by longitudinal and transverse magneto-optic Kerr effect magnetometry. These results provide a deeper understanding of the exchange coupling phenomena in fully epitaxial bilayers with tailored materials and open up a complex switching energy landscape engineering by anisotropies. © 2017 IOP Publishing Ltd.

  7. 45° sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co3FeN/MnN bilayers

    Science.gov (United States)

    Hajiri, T.; Yoshida, T.; Filianina, M.; Jaiswal, S.; Borie, B.; Asano, H.; Zabel, H.; Kläui, M.

    2018-01-01

    We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45° period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully epitaxial Co3FeN/MnN bilayers by longitudinal and transverse magneto-optic Kerr effect magnetometry. These results provide a deeper understanding of the exchange coupling phenomena in fully epitaxial bilayers with tailored materials and open up a complex switching energy landscape engineering by anisotropies.

  8. Design of an 1800nm Raman amplifier

    DEFF Research Database (Denmark)

    Svane, Ask Sebastian; Rottwitt, Karsten

    2013-01-01

    We present the experimental results for a Raman amplifier that operates at 1810 nm and is pumped by a Raman fiber laser at 1680 nm. Both the pump laser and the Raman amplifier is polarization maintaining. A challenge when scaling Raman amplifiers to longer wavelengths is the increase...... in transmission loss, but also the reduction in the Raman gain coefficient as the amplifier wavelength is increased. Both polarization components of the Raman gain is characterized, initially for linearly co-polarized signal and pump, subsequently linearly polarized orthogonal signal and pump. The noise...

  9. Raman Spectroscopy for Homeland Security Applications

    Directory of Open Access Journals (Sweden)

    Gregory Mogilevsky

    2012-01-01

    Full Text Available Raman spectroscopy is an analytical technique with vast applications in the homeland security and defense arenas. The Raman effect is defined by the inelastic interaction of the incident laser with the analyte molecule’s vibrational modes, which can be exploited to detect and identify chemicals in various environments and for the detection of hazards in the field, at checkpoints, or in a forensic laboratory with no contact with the substance. A major source of error that overwhelms the Raman signal is fluorescence caused by the background and the sample matrix. Novel methods are being developed to enhance the Raman signal’s sensitivity and to reduce the effects of fluorescence by altering how the hazard material interacts with its environment and the incident laser. Basic Raman techniques applicable to homeland security applications include conventional (off-resonance Raman spectroscopy, surface-enhanced Raman spectroscopy (SERS, resonance Raman spectroscopy, and spatially or temporally offset Raman spectroscopy (SORS and TORS. Additional emerging Raman techniques, including remote Raman detection, Raman imaging, and Heterodyne imaging, are being developed to further enhance the Raman signal, mitigate fluorescence effects, and monitor hazards at a distance for use in homeland security and defense applications.

  10. Raman chemical imaging technology for food and agricultural applications

    Science.gov (United States)

    This paper presents Raman chemical imaging technology for inspecting food and agricultural products. The paper puts emphasis on introducing and demonstrating Raman imaging techniques for practical uses in food analysis. The main topics include Raman scattering principles, Raman spectroscopy measurem...

  11. Theory of Graphene Raman Scattering.

    Science.gov (United States)

    Heller, Eric J; Yang, Yuan; Kocia, Lucas; Chen, Wei; Fang, Shiang; Borunda, Mario; Kaxiras, Efthimios

    2016-02-23

    Raman scattering plays a key role in unraveling the quantum dynamics of graphene, perhaps the most promising material of recent times. It is crucial to correctly interpret the meaning of the spectra. It is therefore very surprising that the widely accepted understanding of Raman scattering, i.e., Kramers-Heisenberg-Dirac theory, has never been applied to graphene. Doing so here, a remarkable mechanism we term"transition sliding" is uncovered, explaining the uncommon brightness of overtones in graphene. Graphene's dispersive and fixed Raman bands, missing bands, defect density and laser frequency dependence of band intensities, widths of overtone bands, Stokes, anti-Stokes anomalies, and other known properties emerge simply and directly.

  12. Raman fiber distributed feedback lasers.

    Science.gov (United States)

    Westbrook, Paul S; Abedin, Kazi S; Nicholson, Jeffrey W; Kremp, Tristan; Porque, Jerome

    2011-08-01

    We demonstrate fiber distributed feedback (DFB) lasers using Raman gain in two germanosilicate fibers. Our DFB cavities were 124 mm uniform fiber Bragg gratings with a π phase shift offset from the grating center. Our pump was at 1480 nm and the DFB lasers operated on a single longitudinal mode near 1584 nm. In a commercial Raman gain fiber, the maximum output power, linewidth, and threshold were 150 mW, 7.5 MHz, and 39 W, respectively. In a commercial highly nonlinear fiber, these figures improved to 350 mW, 4 MHz, and 4.3 W, respectively. In both lasers, more than 75% of pump power was transmitted, allowing for the possibility of substantial amplification in subsequent Raman gain fiber. © 2011 Optical Society of America

  13. Higher order mode optical fiber Raman amplifiers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Friis, Søren Michael Mørk; Usuga Castaneda, Mario A.

    2016-01-01

    We review higher order mode Raman amplifiers and discuss recent theoretical as well as experimental results including system demonstrations.......We review higher order mode Raman amplifiers and discuss recent theoretical as well as experimental results including system demonstrations....

  14. Field Raman spectrograph for environmental analysis

    International Nuclear Information System (INIS)

    Carrabba, M.M.

    1995-01-01

    The use of Raman Spectroscopy in the screening of soils, ground water, and surface waters for pollutants is described. A probe accessory for conducting surface enhanced Raman Spectroscopy is undergoing testing for dilute chlorinated solvents

  15. Raman and Photoluminescence Spectroscopy in Mineral Identification

    Science.gov (United States)

    Kuehn, J. W.

    2014-06-01

    Raman spectroscopy is particularly useful for rapid identification of minerals and gemstones. Raman spectrometers also allow PL studies for authentication of samples and geological provenance, diamond type screening and detection of HPHT treatments.

  16. Dynamics of long ring Raman fiber laser

    Science.gov (United States)

    Sukhanov, Sergey V.; Melnikov, Leonid A.; Mazhirina, Yulia A.

    2016-04-01

    The numerical model for dynamics of long fiber ring Raman laser is proposed. The model is based on the transport equations and Courant-Isaacson-Rees numerical method. Different regimes of a long ring fiber Raman laser are investigated.

  17. Shape-dependent surface-enhanced Raman scattering in gold–Raman-probe–silica sandwiched nanoparticles for biocompatible applications

    International Nuclear Information System (INIS)

    Li Ming; Cushing, Scott K; Lankford, Jessica; Wu, Nianqiang; Zhang Jianming; Ma Dongling; Aguilar, Zoraida P

    2012-01-01

    To meet the requirement of Raman probes (labels) for biocompatible applications, a synthetic approach has been developed to sandwich the Raman-probe (malachite green isothiocyanate, MGITC) molecules between the gold core and the silica shell in gold–SiO 2 composite nanoparticles. The gold–MGITC–SiO 2 sandwiched structure not only prevents the Raman probe from leaking out but also improves the solubility of the nanoparticles in organic solvents and in aqueous solutions even with high ionic strength. To amplify the Raman signal, three types of core, gold nanospheres, nanorods and nanostars, have been chosen as the substrates of the Raman probe. The effect of the core shape on the surface-enhanced Raman scattering (SERS) has been investigated. The colloidal nanostars showed the highest SERS enhancement factor while the nanospheres possessed the lowest SERS activity under excitation with 532 and 785 nm lasers. Three-dimensional finite-difference time domain (FDTD) simulation showed significant differences in the local electromagnetic field distributions surrounding the nanospheres, nanorods, and nanostars, which were induced by the localized surface plasmon resonance (LSPR). The electromagnetic field was enhanced remarkably around the two ends of the nanorods and around the sharp tips of the nanostars. This local electromagnetic enhancement made the dominant contribution to the SERS enhancement. Both the experiments and the simulation revealed the order nanostars > nanorods > nanospheres in terms of the enhancement factor. Finally, the biological application of the nanostar–MGITC–SiO 2 nanoparticles has been demonstrated in the monitoring of DNA hybridization. In short, the gold–MGITC–SiO 2 sandwiched nanoparticles can be used as a Raman probe that features high sensitivity, good water solubility and stability, low-background fluorescence, and the absence of photobleaching for future biological applications. (paper)

  18. Raman Spectroscopy of Microbial Pigments

    Science.gov (United States)

    Edwards, Howell G. M.; Oren, Aharon

    2014-01-01

    Raman spectroscopy is a rapid nondestructive technique providing spectroscopic and structural information on both organic and inorganic molecular compounds. Extensive applications for the method in the characterization of pigments have been found. Due to the high sensitivity of Raman spectroscopy for the detection of chlorophylls, carotenoids, scytonemin, and a range of other pigments found in the microbial world, it is an excellent technique to monitor the presence of such pigments, both in pure cultures and in environmental samples. Miniaturized portable handheld instruments are available; these instruments can be used to detect pigments in microbiological samples of different types and origins under field conditions. PMID:24682303

  19. Micro-raman and tip-enhanced raman spectroscopy of carbon allotropes

    NARCIS (Netherlands)

    Hoffmann, G.G.; With, de G.; Loos, J.

    2008-01-01

    Raman spectroscopic data are obtained on various carbon allotropes like diamond, amorphous carbon, graphite, graphene and single wall carbon nanotubes by micro-Raman spectroscopy, tip-enhanced Raman spectroscopy and tip-enhanced Raman spectroscopy imaging, and the potentials of these techniques for

  20. Challenges in higher order mode Raman amplifiers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Nielsen, Kristian; Friis, Søren Michael Mørk

    2015-01-01

    A higher order Raman amplifier model that take random mode coupling into account ispresented. Mode dependent gain and signal power fluctuations at the output of the higher order modeRaman amplifier are discussed......A higher order Raman amplifier model that take random mode coupling into account ispresented. Mode dependent gain and signal power fluctuations at the output of the higher order modeRaman amplifier are discussed...

  1. Subfemtosecond pulse generation by cascade-stimulated Raman scattering with modulated Raman excitation

    International Nuclear Information System (INIS)

    Wu Kun; Wu Jian; Zeng Heping

    2003-01-01

    Subfemtosecond (sub-fs) pulses can be generated by cascade-stimulated Raman scattering in a Raman medium with modulated Raman excitations, driven by two sufficiently intense laser beams, one of which is amplitude modulated. The nonadiabatic Raman interaction establishes a strong modulated Raman coherence, which supports compression of the generated broadband Raman sidebands to a train of sub-fs pulses regardless of whether the carrier frequencies of the driving lasers are tuned above, below or on two-photon Raman resonance. (letter to the editor)

  2. Monitoring of blood oxygenation in brain by resonance Raman spectroscopy

    DEFF Research Database (Denmark)

    Brazhe, Nadezda A; Thomsen, Kirsten; Lønstrup, Micael

    2018-01-01

    Blood oxygenation in cerebral vessels is an essential parameter to evaluate brain function and to investigate the coupling between local blood flow and neuronal activity. We apply resonance Raman spectroscopy in vivo to study hemoglobin oxygenation in cortex vessels of anesthetized ventilated mice....... We demonstrate that the pairs of Raman peaks at 1355 and1375 cm-1(symmetric vibrations of pyrrol half-rings in the heme molecule), 1552 and 1585 cm-1and 1602 and 1638 cm-1(vibrations of methine bridges in heme molecule) are reliable markers for quantitative estimation of the relative amount...

  3. Raman scattering of type-I clathrate compounds

    International Nuclear Information System (INIS)

    Takasu, Y.; Hasegawa, T.; Ogita, N.; Udagawa, M.; Avila, M.A.; Takabatake, T.

    2006-01-01

    Lattice dynamical properties of the type-I clathrate compounds of A 8 Ga 16 Ge 30 (A=Eu, Sr, Ba) have been investigated by Raman scattering. We are successful in the assignment of the observed Raman active phonons to proper symmetry and are able to separate the guest atom origin modes from framework origin modes for the first time experimentally. From the measurements of temperature dependence of the guest origin peaks, we also demonstrate the difference of the behavior of the guest atom at high temperature and low temperature

  4. Raman Microscopy and Microspectroscopy of Biological Materials

    NARCIS (Netherlands)

    Sijtsema, N.M.; Otto, C.; Segers-Nolten, G.M.J.; Greve, J.; Merlin, Jean Claude; Turrell, Sylvia; Huvenne, Jean Pierre

    With a confocal Raman microspectrometer it is possible to collect Raman signal of a volume of only 1 µm3 Therefore, this technique offers the possibility to obtain information about the chemical composition of small cell structures like granules, without destroying the cell [1], This makes Raman

  5. Raman spectra of lignin model compounds

    Science.gov (United States)

    Umesh P. Agarwal; Richard S. Reiner; Ashok K. Pandey; Sally A. Ralph; Kolby C. Hirth; Rajai H. Atalla

    2005-01-01

    To fully exploit the value of Raman spectroscopy for analyzing lignins and lignin containing materials, a detailed understanding of lignins’ Raman spectra needs to be achieved. Although advances made thus far have led to significant growth in application of Raman techniques, further developments are needed to improve upon the existing knowledge. Considering that lignin...

  6. Raman scattering investigation of Bi2Te3 hexagonal nanoplates prepared by a solvothermal process in the absence of NaOH

    International Nuclear Information System (INIS)

    Liang Yujie; Wang Wenzhong; Zeng Baoqing; Zhang Guling; Huang Jing; Li Jin; Li Te; Song Yangyang; Zhang Xiuyu

    2011-01-01

    Research highlights: → Hexagonal Bi 2 Te 3 thin nanoplates were synthesized by a simple solvothermal method. → Optical properties of the nanoplates were investigated by micro-Raman spectroscopy. → Infrared (IR) active mode (A 1u ) is greatly activated in Raman scattering spectrum. → Infrared (IR) active mode (A 1u ) shows up in Raman spectrum of hexagonal nanoplates. → Raman spectrum clearly shows crystal symmetry breaking of hexagonal nanoplates. - Abstract: Hexagonal Bi 2 Te 3 nanoplates were synthesized by a simple solvothermal process in the absence of NaOH. The composition, morphology and size of the as-prepared products were characterized by powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). Raman scattering optical properties of the as-prepared Bi 2 Te 3 nanoplates were investigated by micro-Raman spectroscopy. The Raman spectrum shows that infrared (IR) active mode (A 1u ), which must be odd parity and is Raman forbidden for bulk crystal due to its inversion symmetry, is greatly activated and shown up clearly in Raman scattering spectrum. We attribute the appearance of infrared active (A 1u ) in Raman spectrum to crystal symmetry breaking of Bi 2 Te 3 hexagonal nanoplates. The as-grown Bi 2 Te 3 hexagonal nanoplates, exhibiting novel Raman optical properties compared with bulk crystals, may find potential applications in thermoelectric devices.

  7. Raman scattering studies on PEG functionalized hydroxyapatite nanoparticles

    Science.gov (United States)

    Yamini, D.; Devanand Venkatasubbu, G.; Kumar, J.; Ramakrishnan, V.

    2014-01-01

    The pure hydroxyapatite (HAP) nanoparticles (NPs) have been synthesized by wet chemical precipitation method. Raman spectral measurements have been made for pure HAP, pure Polyethylene glycol (PEG) 6000 and PEG coated HAP in different mass ratios (sample 1, sample 2 and sample 3). The peaks observed in Raman spectrum of pure HAP and the XRD pattern have confirmed the formation of HAP NPs. Vibrational modes have been assigned for pure HAP and pure PEG 6000. The observed variation in peak position of Raman active vibrational modes of PEG in PEG coated HAP has been elucidated in this work, in terms of intermolecular interactions between PEG and HAP. Further these results suggest that the functionalization of nanoparticles may be independent of PEG mass.

  8. Surface-Enhanced Raman Spectroscopy of Carbon Nanomembranes from Aromatic Self-Assembled Monolayers.

    Science.gov (United States)

    Zhang, Xianghui; Mainka, Marcel; Paneff, Florian; Hachmeister, Henning; Beyer, André; Gölzhäuser, Armin; Huser, Thomas

    2018-02-27

    Surface-enhanced Raman scattering spectroscopy (SERS) was employed to investigate the formation of self-assembled monolayers (SAMs) of biphenylthiol, 4'-nitro-1,1'-biphenyl-4-thiol, and p-terphenylthiol on Au surfaces and their structural transformations into carbon nanomembranes (CNMs) induced by electron irradiation. The high sensitivity of SERS allows us to identify two types of Raman scattering in electron-irradiated SAMs: (1) Raman-active sites exhibit similar bands as those of pristine SAMs in the fingerprint spectral region, but with indications of an amorphization process and (2) Raman-inactive sites show almost no Raman-scattering signals, except a very weak and broad D band, indicating a lack of structural order but for the presence of graphitic domains. Statistical analysis showed that the ratio of the number of Raman-active sites to the total number of measurement sites decreases exponentially with increasing the electron irradiation dose. The maximum degree of cross-linking ranged from 97 to 99% for the three SAMs. Proof-of-concept experiments were conducted to demonstrate potential applications of Raman-inactive CNMs as a supporting membrane for Raman analysis.

  9. Surface-enhanced Raman scattering from silver electrodes

    International Nuclear Information System (INIS)

    Trott, G.R.

    1982-01-01

    The chemical and physical origins of the anomalously large enhancement of the Raman scattering cross section for molecules adsorbed on silver electrodes in an electrochemical cell were investigated. The effect of the chemical reactions which occur during the anodization/activation procedure were studied using the Ag-CN system. It was shown that the function of the anodization process is to roughen the electrode surface and create an activated site for bonding to the cyanide. A new nonelectrochemical technique for activating the silver surface, along with a study of the enhanced cyanide Raman scattering in different background electrolytes, showed that the Raman active entity on the surface must be a silver-cyanide complex. In order to study the physical mechanism of the enhancement, the angular dependence of the scattered radiation was measured from pyridine adsorbed on an evaporated silver electrode. Both polycrystalline and single crystalline silver films were used. The angular dependence of the scattered radiation from these films showed that the metal surface was controlling the directional properties of the scattered radiation, and not the polarizability tensor of the adsorbate. Based on these experimental results, it was concluded that for weakly roughened silver electrodes the source of the anomalous enhancement is due to a resonant Raman scattering process

  10. Subpicosecond Dynamics in Nucleotides Measured by Spontaneous Raman Spectroscopy

    NARCIS (Netherlands)

    Terpstra, P.A.; Terpstra, P.A.; Otto, Cornelis; Greve, Jan

    1997-01-01

    The band widths in Raman spectra are sensitive to dynamics active on a time scale from 0.1 to 10 ps. The band widths of nucleotide vibrations and their dependence on temperature, concentration, and structure are reported. From the experimental band widths and second moments, it is derived that the

  11. Raman Spectral Determination of Chemical Reaction Rate Characteristics

    Science.gov (United States)

    Balakhnina, I. A.; Brandt, N. N.; Mankova, A. A.; Chikishev, A. Yu.; Shpachenko, I. G.

    2017-09-01

    The feasibility of using Raman spectroscopy to determine chemical reaction rates and activation energies has been demonstrated for the saponification of ethyl acetate. The temperature dependence of the reaction rate was found in the range from 15 to 45°C.

  12. Raman Spectroscopy of Ocular Tissue

    Science.gov (United States)

    Ermakov, Igor V.; Sharifzadeh, Mohsen; Gellermann, Warner

    The optically transparent nature of the human eye has motivated numerous Raman studies aimed at the non-invasive optical probing of ocular tissue components critical to healthy vision. Investigations include the qualitative and quantitative detection of tissue-specific molecular constituents, compositional changes occurring with development of ocular pathology, and the detection and tracking of ocular drugs and nutritional supplements. Motivated by a better understanding of the molecular mechanisms leading to cataract formation in the aging human lens, a great deal of work has centered on the Raman detection of proteins and water content in the lens. Several protein groups and the hydroxyl response are readily detectable. Changes of protein compositions can be studied in excised noncataractous tissue versus aged tissue preparations as well as in tissue samples with artificially induced cataracts. Most of these studies are carried out in vitro using suitable animal models and conventional Raman techniques. Tissue water content plays an important role in optimum light transmission of the outermost transparent ocular structure, the cornea. Using confocal Raman spectroscopy techniques, it has been possible to non-invasively measure the water to protein ratio as a measure of hydration status and to track drug-induced changes of the hydration levels in the rabbit cornea at various depths. The aqueous humor, normally supplying nutrients to cornea and lens, has an advantageous anterior location for Raman studies. Increasing efforts are pursued to non-invasively detect the presence of glucose and therapeutic concentrations of antibiotic drugs in this medium. In retinal tissue, Raman spectroscopy proves to be an important tool for research into the causes of macular degeneration, the leading cause of irreversible vision disorders and blindness in the elderly. It has been possible to detect the spectral features of advanced glycation and advanced lipooxydation end products in

  13. Inverse Raman effect: applications and detection techniques

    International Nuclear Information System (INIS)

    Hughes, L.J. Jr.

    1980-08-01

    The processes underlying the inverse Raman effect are qualitatively described by comparing it to the more familiar phenomena of conventional and stimulated Raman scattering. An experession is derived for the inverse Raman absorption coefficient, and its relationship to the stimulated Raman gain is obtained. The power requirements of the two fields are examined qualitatively and quantitatively. The assumption that the inverse Raman absorption coefficient is constant over the interaction length is examined. Advantages of the technique are discussed and a brief survey of reported studies is presented

  14. Inverse Raman effect: applications and detection techniques

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, L.J. Jr.

    1980-08-01

    The processes underlying the inverse Raman effect are qualitatively described by comparing it to the more familiar phenomena of conventional and stimulated Raman scattering. An experession is derived for the inverse Raman absorption coefficient, and its relationship to the stimulated Raman gain is obtained. The power requirements of the two fields are examined qualitatively and quantitatively. The assumption that the inverse Raman absorption coefficient is constant over the interaction length is examined. Advantages of the technique are discussed and a brief survey of reported studies is presented.

  15. Quantification and spatial distribution of salicylic acid in film tablets using FT-Raman mapping with multivariate curve resolution

    OpenAIRE

    Haslet Eksi-Kocak; Sibel Ilbasmis Tamer; Sebnem Yilmaz; Merve Eryilmaz; Ismail Hakkı Boyaci; Ugur Tamer

    2018-01-01

    In this study, we proposed a rapid and sensitive method for quantification and spatial distribution of salicylic acid in film tablets using FT-Raman spectroscopy with multivariate curve resolution (MCR). For this purpose, the constituents of film tablets were identified by using FT-Raman spectroscopy, and then eight different concentrations of salicylic acid tablets were visualized by Raman mapping. MCR was applied to mapping data to expose the active pharmaceutical ingredients in the presenc...

  16. High-Resolution Infrared and Raman Spectra of the Polycrystalline Sinomenine Hydrochloride

    Directory of Open Access Journals (Sweden)

    Liu Xiao-Dong

    2016-01-01

    Full Text Available High-resolution infrared and Raman spectra of the polycrystalline sinomenine (SM hydrochloride have been measured to work out its whole really existing vibrational spectral bands. Except for the hydroxyl stretching modes and IR active bands less than 400 cm−1, most normal modes (about 34 are both IR and Raman active. In addition, 8 Raman bands less than 400 cm−1 are tentatively assigned, for the first time to our knowledge, to stretching/bending modes of the aromatic-ring−methoxyls and (SMH+–Cl− ions, respectively.

  17. Time-Gated Raman Spectroscopy for Quantitative Determination of Solid-State Forms of Fluorescent Pharmaceuticals.

    Science.gov (United States)

    Lipiäinen, Tiina; Pessi, Jenni; Movahedi, Parisa; Koivistoinen, Juha; Kurki, Lauri; Tenhunen, Mari; Yliruusi, Jouko; Juppo, Anne M; Heikkonen, Jukka; Pahikkala, Tapio; Strachan, Clare J

    2018-04-03

    Raman spectroscopy is widely used for quantitative pharmaceutical analysis, but a common obstacle to its use is sample fluorescence masking the Raman signal. Time-gating provides an instrument-based method for rejecting fluorescence through temporal resolution of the spectral signal and allows Raman spectra of fluorescent materials to be obtained. An additional practical advantage is that analysis is possible in ambient lighting. This study assesses the efficacy of time-gated Raman spectroscopy for the quantitative measurement of fluorescent pharmaceuticals. Time-gated Raman spectroscopy with a 128 × (2) × 4 CMOS SPAD detector was applied for quantitative analysis of ternary mixtures of solid-state forms of the model drug, piroxicam (PRX). Partial least-squares (PLS) regression allowed quantification, with Raman-active time domain selection (based on visual inspection) improving performance. Model performance was further improved by using kernel-based regularized least-squares (RLS) regression with greedy feature selection in which the data use in both the Raman shift and time dimensions was statistically optimized. Overall, time-gated Raman spectroscopy, especially with optimized data analysis in both the spectral and time dimensions, shows potential for sensitive and relatively routine quantitative analysis of photoluminescent pharmaceuticals during drug development and manufacturing.

  18. [Study of alkaline lignin from Arundo donax linn based on FT Raman spectroscopy].

    Science.gov (United States)

    You, Ting-ting; Ma, Jian-feng; Guo, Si-qin; Xu, Feng

    2014-08-01

    Arundo donax linn, as a perennial energy crop, has promising application prospect. In the present study, Fourier transform Raman (FT Raman) spectroscopy was applied to determine the structural information of materials, milled wood lignin (MWL), and alkaline lignins (AL, under different treated time) from A. donax stem nondestructively. The results indicated that, extractable compounds in A. donax had negative contribution to the Raman spectra without rising new Raman peaks. FT Raman spectrum of MWL indicated that MWL from A. donax was HGS type lignins. Compared with the spectra of MWL from wood materials, the peak at 1173 cm(-1) was much higher in intensity for the MWL from A. donax stem, which may be assigned to hydroxycinnamic acid by analyzing the standard. With respect to FT Raman spectra of ALs, the relatively highest intensity of 1173 cm(-1) was found in alkaline lignin (AL2), which was treated for 40 min by alkaline. Moreover, the peak of coniferaldehyde/sinapaldehyde (1630 cm(-1)) was lowest in intensity while the band attributed to coniferyl alcohol/sinapyl alcohol (1660 cm(-1)) was almost disappeared in AL2. It could be inferred that AL2 demonstrated a highest content of phenolic acid, which may improve its potential application, such as for antioxidant activity. Furthermore, the results obtained by FT Raman spectra were verified by two dimensional heteronuclear singlequantum coherence nuclear magnetic resonance analyses. Above all, FT Raman spectroscopy provided alternative safe, rapid, accurate, and nondestructive technology for lignin structure determination.

  19. Raman spectroscopic study on the excystation process in a single unicellular organism amoeba (Acanthamoeba polyphaga)

    Science.gov (United States)

    Lin, Yu-Chung; Perevedentseva, Elena; Cheng, Chia-Liang

    2015-05-01

    An in vivo Raman spectroscopic study of amoeba (Acanthamoeba polyphaga) is presented. The changes of the spectra during the amoeba cyst activation and excystation are analyzed. The spectra show the changes of the relative intensities of bands corresponding to protein, lipid, and carotenoid components during cyst activation. The presence of carotenoids in the amoeba is observed via characteristic Raman bands. These signals in the Raman spectra are intense in cysts but decrease in intensity with cyst activation and exhibit a correlation with the life cycle of amoeba. This work demonstrates the feasibility of using Raman spectroscopy for the detection of single amoeba microorganisms in vivo and for the analysis of the amoeba life activity. The information obtained may have implications for the estimation of epidemiological situations and for the diagnostics and prognosis of the development of amoebic inflammations.

  20. ULTRAVIOLET RAMAN SPECTRAL SIGNATURE ACQUISITION: UV RAMAN SPECTRAL FINGERPRINTS.

    Energy Technology Data Exchange (ETDEWEB)

    SEDLACEK,III, A.J.FINFROCK,C.

    2002-09-01

    As a member of the science-support part of the ITT-lead LISA development program, BNL is tasked with the acquisition of UV Raman spectral fingerprints and associated scattering cross-sections for those chemicals-of-interest to the program's sponsor. In support of this role, the present report contains the first installment of UV Raman spectral fingerprint data on the initial subset of chemicals. Because of the unique nature associated with the acquisition of spectral fingerprints for use in spectral pattern matching algorithms (i.e., CLS, PLS, ANN) great care has been undertaken to maximize the signal-to-noise and to minimize unnecessary spectral subtractions, in an effort to provide the highest quality spectral fingerprints. This report is divided into 4 sections. The first is an Experimental section that outlines how the Raman spectra are performed. This is then followed by a section on Sample Handling. Following this, the spectral fingerprints are presented in the Results section where the data reduction process is outlined. Finally, a Photographs section is included.

  1. Utilizing Raman Spectroscopy and Surface-Enhanced Raman Spectroscopy to investigate healthy and cancerous colon samples

    International Nuclear Information System (INIS)

    Barzegar, A.; Rezaei, H.; Malekfar, R.

    2012-01-01

    In this study, spontaneous Raman scattering and surface-enhanced Raman scattering, Surface-Enhanced Raman Spectroscopy spectra have been investigated. The samples which were kept in the formalin solution selected from the human's healthy and cancerous colon tissues. The Surface-Enhanced Raman Spectroscopy spectra were collected by adding colloidal solution contained silver nanoparticles to the top of the samples. The recorded spectra were compared for the spontaneous Raman spectra of healthy and cancerous colon samples. The spontaneous and surface enhanced Raman scattering data were also collected and compared for both healthy and damaged samples.

  2. Transcutaneous Raman Spectroscopy of Bone

    Science.gov (United States)

    Maher, Jason R.

    Clinical diagnoses of bone health and fracture risk typically rely upon measurements of bone density or structure, but the strength of a bone is also dependent upon its chemical composition. One technology that has been used extensively in ex vivo, exposed-bone studies to measure the chemical composition of bone is Raman spectroscopy. This spectroscopic technique provides chemical information about a sample by probing its molecular vibrations. In the case of bone tissue, Raman spectra provide chemical information about both the inorganic mineral and organic matrix components, which each contribute to bone strength. To explore the relationship between bone strength and chemical composition, our laboratory has contributed to ex vivo, exposed-bone animal studies of rheumatoid arthritis, glucocorticoid-induced osteoporosis, and prolonged lead exposure. All of these studies suggest that Raman-based predictions of biomechanical strength may be more accurate than those produced by the clinically-used parameter of bone mineral density. The utility of Raman spectroscopy in ex vivo, exposed-bone studies has inspired attempts to perform bone spectroscopy transcutaneously. Although the results are promising, further advancements are necessary to make non-invasive, in vivo measurements of bone that are of sufficient quality to generate accurate predictions of fracture risk. In order to separate the signals from bone and soft tissue that contribute to a transcutaneous measurement, we developed an overconstrained extraction algorithm that is based upon fitting with spectral libraries derived from separately-acquired measurements of the underlying tissue components. This approach allows for accurate spectral unmixing despite the fact that similar chemical components (e.g., type I collagen) are present in both soft tissue and bone and was applied to experimental data in order to transcutaneously detect, to our knowledge for the first time, age- and disease-related spectral

  3. Raman spectroscopy peer review report

    International Nuclear Information System (INIS)

    Winkelman, W.D.; Eberlein, S.J.

    1994-09-01

    The Hanford Site in eastern Washington includes 177 underground storage tanks (UST), which contain waste materials produced during the production of nuclear fuels. The materials in the tanks must be characterized to support the retrieval, processing, and final disposition of the waste. Characterization is currently performed by removing waste samples for analyses in a hot cell or laboratory. A review of the Hanford Raman Spectroscopy Program was held in Richland on March 23 and 24, 1994. A team of principal investigators and researchers made presentations that covered both technical and programmatic aspects of the Hanford Site Raman work. After these presentations and discussions, the review panel met in a closed session to formalize a list of findings. The reviewers agreed that Raman spectroscopy is an excellent method to attack the tank waste characterization and screening problems that were presented. They agreed that there was a good chance that the method would be successful as presently envisioned. The reviewers provided the following primary recommendations: evaluation a laser with wavelength in the near infrared; provide optical filters at or near the sampling end of the fiber-optic probe; develop and implement a strategy for frequent calibration of the system; do not try to further increase Raman resolution at the expense of wavelength range; clearly identify and differentiate between requirements for providing a short-term operational system and requirements for optimizing a system for long-term field use; and determine the best optical configuration, which may include reduced fiber-optic diameter and/or short focal length and low F-number spectrographs

  4. Raman spectra of Pm2O3, PmF3, PmCl3, PmBr3 and PmI3

    International Nuclear Information System (INIS)

    Wilmarth, W.R.; Peterson, J.R.

    1988-01-01

    Raman spectral data are presented for the sesquioxide and the trihalides (F, Cl, Br and I) of promethium. The Raman spectra of these lanthanide compounds are reported for the first time and are compared with those of the homologous lanthanide compounds. Tentative symmetry assignments have been made for the observed Raman-active bands based on factor group analysis of their respective crystal structures and comparisons with the assigned Raman spectra of other lanthanide compounds. The characteristic band patterns of the Raman phonon spectra have been found to be very useful in determining the crystal structure of the respective promethium compounds. (author)

  5. Raman spectroscopic studies on bacteria

    Science.gov (United States)

    Maquelin, Kees; Choo-Smith, Lin-P'ing; Endtz, Hubert P.; Bruining, Hajo A.; Puppels, Gerwin J.

    2000-11-01

    Routine clinical microbiological identification of pathogenic micro-organisms is largely based on nutritional and biochemical tests. Laboratory results can be presented to a clinician after 2 - 3 days for most clinically relevant micro- organisms. Most of this time is required to obtain pure cultures and enough biomass for the tests to be performed. In the case of severely ill patients, this unavoidable time delay associated with such identification procedures can be fatal. A novel identification method based on confocal Raman microspectroscopy will be presented. With this method it is possible to obtain Raman spectra directly from microbial microcolonies on the solid culture medium, which have developed after only 6 hours of culturing for most commonly encountered organisms. Not only does this technique enable rapid (same day) identifications, but also preserves the sample allowing it to be double-checked with traditional tests. This, combined with the speed and minimal sample handling indicate that confocal Raman microspectroscopy has much potential as a powerful new tool in clinical diagnostic microbiology.

  6. Difference Raman spectroscopy of DNA molecules

    International Nuclear Information System (INIS)

    Anokhin, Andrey S; Yuzyuk, Yury I; Gorelik, Vladimir S; Dovbeshko, Galina I; Pyatyshev, Alexander Yu

    2015-01-01

    In this paper the micro-Raman spectra of calf DNA for different points of DNA sample have been recorded. The Raman spectra were made with help of difference Raman spectroscopy technique. Raman spectra were recorded with high spatial resolution from different points of the wet and dry samples in different spectral range (100÷4000cm −1 ) using two lasers: argon (514.5 nm) and helium -neon (632.8 nm). The significant differences in the Raman spectra for dry and wet DNA and for different points of DNA molecules were observed. The obtained data on difference Raman scattering spectra of DNA molecules may be used for identification of DNA types and for analysis of genetic information associated with the molecular structure of this molecule

  7. Raman amplification in optical communication systems

    DEFF Research Database (Denmark)

    Kjær, Rasmus

    2008-01-01

    Fiber Raman amplifiers are investigated with the purpose of identifying new applications and limitations for their use in optical communication systems. Three main topics are investigated, namely: New applications of dispersion compensating Raman amplifiers, the use Raman amplification to increase...... fiberbaserede Raman-forstærkere med henblik på at identificere både deres begrænsninger og nye anvendelsesmuligheder i optiske kommunikationssystemer. En numerisk forstærkermodel er blevet udviklet for bedre at forstå forstærkerens dynamik, dens gain- og støjbegrænsninger. Modellen bruges til at forudsige...... forstærkerens statiske og dynamiske egenskaber, og det eftervises at dens resultater er i god overensstemmelse med eksperimentelle forstærkermålinger. Dispersions-kompenserende fiber er på grund af sin store udbredelse og fiberens høje Raman gain effektivitet et meget velegnet Raman gain-medium. Tre nye...

  8. Raman technique application for rubber blends characterization

    Directory of Open Access Journals (Sweden)

    Smitthipong, W.

    2007-11-01

    Full Text Available Raman spectroscopy has been employed in a number of studies to examine the morphological changes in a variety of materials. It is a non-destructive analysis method and an equally useful method for the investigation of material structure. Recently, Raman spectroscopy has been developed to employ as an imaging instrumentation. Sample surface scanning in X- and Y-axis and sample depth (Z-axis can be carried out by modifying the focus of the laser beam from the Raman microscope. Therefore, three-dimensional images can be thus built by using special software. The surface and bulk properties of immiscible rubber blend were investigated by Raman spectroscopy. The results obtained by Raman spectroscopy were in good agreement with those of Scanning Electron Microscope (SEM. The combination of Raman spectrometry and SEM clearly elucidates the identification of phases between the dispersed phase and the matrix (continuous phase of the immiscible rubber blends.

  9. Enhanced Raman scattering in porous silicon grating.

    Science.gov (United States)

    Wang, Jiajia; Jia, Zhenhong; Lv, Changwu

    2018-03-19

    The enhancement of Raman signal on monocrystalline silicon gratings with varying groove depths and on porous silicon grating were studied for a highly sensitive surface enhanced Raman scattering (SERS) response. In the experiment conducted, porous silicon gratings were fabricated. Silver nanoparticles (Ag NPs) were then deposited on the porous silicon grating to enhance the Raman signal of the detective objects. Results show that the enhancement of Raman signal on silicon grating improved when groove depth increased. The enhanced performance of Raman signal on porous silicon grating was also further improved. The Rhodamine SERS response based on Ag NPs/ porous silicon grating substrates was enhanced relative to the SERS response on Ag NPs/ porous silicon substrates. Ag NPs / porous silicon grating SERS substrate system achieved a highly sensitive SERS response due to the coupling of various Raman enhancement factors.

  10. Raman Spectroscopy with simple optic components

    International Nuclear Information System (INIS)

    Mendoza, Mario; Cunya, Eduardo; Olivera, Paula

    2014-01-01

    Raman Spectroscopy is .a high resolution photonics technique that provides chemical and structural information of almost any material, organic or inorganic compound. In this report we describe the implementation of a system based on the principle of Raman scattering, developed to analyze solid samples. The spectrometer integrates an optical bench coupled to an optical fiber and a green laser source of 532 nm. The spectrometer was tested obtaining the Naphthalene and the Yellow 74 Pigment Raman patterns. (authors).

  11. Assessment of argon ion laser dispersive Raman spectroscopy for hot cell applications

    International Nuclear Information System (INIS)

    Crawford, B.A.

    1995-01-01

    Characterization of high-level waste tank materials at Hanford is conducted to support safety assessments and waste treatment activities. Raman spectroscopy is expected to give chemical species information which may assist in defining layering in tank waste. This report describes the dispersive Raman system used in this year's investigation and the methology used to collect and evaluate data taken on tank waste samples. The current argon-ion Raman system was found not to be suitable for screening of tank cores, owing to silica interference, fluorescence interferences, and the extensive time required to collect and treat the data. Recommendations are given for further development

  12. Successful Collaborations with Dr. S. Raman in Research on Nuclear Data in Japan

    International Nuclear Information System (INIS)

    Mizumoto, Motoharu

    2005-01-01

    Since the early 1970s, Dr. Raman visited Japan many times and established a good and fruitful relationship with many scientists from universities and institutions in Japan. Many Japanese scientists, in particular young researchers, also worked together with him at Oak Ridge National Laboratory (ORNL). Through this successful collaboration, we made various achievements in the nuclear data and nuclear physics fields. Japanese researchers all remember Dr. Raman as a very active and warmhearted person. In this paper, some of the results that Dr. Raman established by collaborating with Japanese scientists will be presented

  13. Reduction of Raman scattering and fluorescence from anvils in high pressure Raman scattering

    Science.gov (United States)

    Dierker, S. B.; Aronson, M. C.

    2018-05-01

    We describe a new design and use of a high pressure anvil cell that significantly reduces the Raman scattering and fluorescence from the anvils in high pressure Raman scattering experiments. The approach is particularly useful in Raman scattering studies of opaque, weakly scattering samples. The effectiveness of the technique is illustrated with measurements of two-magnon Raman scattering in La2CuO4.

  14. Polarization Raman spectroscopy to explain rodent models of brittle bone

    Science.gov (United States)

    Makowski, Alexander J.; Nyman, Jeffry S.; Mahadevan-Jansen, Anita

    2013-03-01

    Activation Transcription Factor 4 (Atf-4) is essential for osteoblast maturation and proper collagen synthesis. We recently found that these bones demonstrate a rare brittleness phenotype, which is independent of bone strength. We utilized a confocal Renishaw Raman microscope (50x objective; NA=.75) to evaluate embedded, polished cross-sections of mouse tibia from both wild-type and knockout mice at 8 weeks of age (24 mice, nmineral and collagen; however, compositional changes did not fully encompass biomechanical differences. To investigate the impact of material organization, we acquired colocalized spectra aligning the polarization angle parallel and perpendicular to the long bone axis from wet intact femurs. To validate our results, we used MMP9-/- mice, which have a brittleness phenotype that is not explained by compositional Raman measures. Polarization angle difference spectra show marked significant changes in orientation of these compositional differences when comparing wild type to knockout bones. Relative to wild-type, Atf4 -/- and MMP9 -/- bones show significant differences (t-test; pbones. Such findings could have alternate interpretations about net collagen orientation or the angular distribution of collagen molecules. Use of polarization specific Raman measurements has implicated a structural profile that furthers our understanding of models of bone brittleness. Polarization content of Raman spectra may prove significant in future studies of brittle fracture and human fracture risk.

  15. Highly Enhanced Raman Scattering on Carbonized Polymer Films.

    Science.gov (United States)

    Yoon, Jong-Chul; Hwang, Jongha; Thiyagarajan, Pradheep; Ruoff, Rodney S; Jang, Ji-Hyun

    2017-06-28

    We have discovered a carbonized polymer film to be a reliable and durable carbon-based substrate for carbon enhanced Raman scattering (CERS). Commercially available SU8 was spin coated and carbonized (c-SU8) to yield a film optimized to have a favorable Fermi level position for efficient charge transfer, which results in a significant Raman scattering enhancement under mild measurement conditions. A highly sensitive CERS (detection limit of 10 -8 M) that was uniform over a large area was achieved on a patterned c-SU8 film and the Raman signal intensity has remained constant for 2 years. This approach works not only for the CMOS-compatible c-SU8 film but for any carbonized film with the correct composition and Fermi level, as demonstrated with carbonized-PVA (poly(vinyl alcohol)) and carbonized-PVP (polyvinylpyrollidone) films. Our study certainly expands the rather narrow range of Raman-active material platforms to include robust carbon-based films readily obtained from polymer precursors. As it uses broadly applicable and cheap polymers, it could offer great advantages in the development of practical devices for chemical/bio analysis and sensors.

  16. Evaluation of the 46Ti(n,2n)45Ti and 54Fe(n,2n)53m+gFe reaction cross sections for neutron dosimetry in fusion facilities

    International Nuclear Information System (INIS)

    Badikov, S.A.; Ignatyuk, A.V.; Zolotarev, K.I.; Pashchenko, A.B.

    1993-11-01

    The reaction cross-sections of 46 Ti(n,2n) 45 Ti and 54 Fe(n,2n) 53m+g Fe, which are important for fusion reactor neutron dosimetry, were evaluated using a generalized least squares method. The experimental cross-section data of all measurements performed up to January 1993, were critically reviewed. The evaluated cross-section data are presented in analytical form and in ENDF-6 format, including covariance data. (author)

  17. Evaluation and improvement of cross section accuracy for most important dosimetry reactions 27Al(n,p), 56Fe(n,p) and 237Np(n,f) including covariance data

    International Nuclear Information System (INIS)

    Zolotarev, K.I.

    2004-02-01

    New evaluations of cross sections and their uncertainties for dosimetry reactions 27 Al(n,p) , 56 Fe(n,p) and 237 Np(n,f) have been carried out in the frame work of IAEA Research Contract No. 11372/RB. Data files prepared for this reactions in the ENDF-6 format may be consider as candidates for the new International Reactor Dosimetry File: IRDF-2002. (author)

  18. Evaluation and improvement of cross section accuracy for most important dosimetry reactions 27Al(n,p), 56Fe(n,p) and 237Np(n,f) including covariance data

    Energy Technology Data Exchange (ETDEWEB)

    Zolotarev, K I [Institute of Physics and Power Engineering, Obninsk (Russian Federation)

    2004-02-01

    New evaluations of cross sections and their uncertainties for dosimetry reactions {sup 27}Al(n,p) , {sup 56}Fe(n,p) and {sup 237}Np(n,f) have been carried out in the frame work of IAEA Research Contract No. 11372/RB. Data files prepared for this reactions in the ENDF-6 format may be consider as candidates for the new International Reactor Dosimetry File: IRDF-2002. (author)

  19. What Good is Raman Water Vapor Lidar?

    Science.gov (United States)

    Whitman, David

    2011-01-01

    Raman lidar has been used to quantify water vapor in the atmosphere for various scientific studies including mesoscale meteorology and satellite validation. Now the international networks of NDACC and GRUAN have interest in using Raman water vapor lidar for detecting trends in atmospheric water vapor concentrations. What are the data needs for addressing these very different measurement challenges. We will review briefly the scientific needs for water vapor accuracy for each of these three applications and attempt to translate that into performance specifications for Raman lidar in an effort to address the question in the title of "What good is Raman water vapor Iidar."

  20. Raman microspectroscopy, surface-enhanced Raman scattering microspectroscopy, and stable-isotope Raman microspectroscopy for biofilm characterization.

    Science.gov (United States)

    Ivleva, Natalia P; Kubryk, Patrick; Niessner, Reinhard

    2017-07-01

    Biofilms represent the predominant form of microbial life on our planet. These aggregates of microorganisms, which are embedded in a matrix formed by extracellular polymeric substances, may colonize nearly all interfaces. Detailed knowledge of microorganisms enclosed in biofilms as well as of the chemical composition, structure, and functions of the complex biofilm matrix and their changes at different stages of the biofilm formation and under various physical and chemical conditions is relevant in different fields. Important research topics include the development and improvement of antibiotics and medical devices and the optimization of biocides, antifouling strategies, and biological wastewater treatment. Raman microspectroscopy is a capable and nondestructive tool that can provide detailed two-dimensional and three-dimensional chemical information about biofilm constituents with the spatial resolution of an optical microscope and without interference from water. However, the sensitivity of Raman microspectroscopy is rather limited, which hampers the applicability of Raman microspectroscopy especially at low biomass concentrations. Fortunately, the resonance Raman effect as well as surface-enhanced Raman scattering can help to overcome this drawback. Furthermore, the combination of Raman microspectroscopy with other microscopic techniques, mass spectrometry techniques, or particularly with stable-isotope techniques can provide comprehensive information on monospecies and multispecies biofilms. Here, an overview of different Raman microspectroscopic techniques, including resonance Raman microspectroscopy and surface-enhanced Raman scattering microspectroscopy, for in situ detection, visualization, identification, and chemical characterization of biofilms is given, and the main feasibilities and limitations of these techniques in biofilm research are presented. Future possibilities of and challenges for Raman microspectroscopy alone and in combination with other

  1. Analysis of polymer surfaces and thin-film coatings with Raman and surface enhanced Raman scattering

    International Nuclear Information System (INIS)

    McAnally, Gerard David

    2001-01-01

    This thesis investigates the potential of surface-enhanced Raman scattering (SERS) for the analysis and characterisation of polymer surfaces. The Raman and SERS spectra from a PET film are presented. The SERS spectra from the related polyester PBT and from the monomer DMT are identical to PET, showing that only the aromatic signals are enhanced. Evidence from other compounds is presented to show that loss of the carbonyl stretch (1725 cm -1 ) from the spectra is due to a chemical interaction between the silver and surface carbonyl groups. The interaction of other polymer functional groups with silver is discussed. A comparison of Raman and SERS spectra collected from three faces of a single crystal shows the SERS spectra are depolarised. AFM images of the silver films used to obtain SERS are presented. They consist of regular islands of silver, fused together to form a complete film. The stability and reproducibility and of these surfaces is assessed. Band assignments for the SERS spectrum of PET are presented. A new band in the spectrum (1131 cm -1 ) is assigned to a complex vibration using a density functional calculation. Depth profiling through a polymer film on to the silver layer showed the SERS signals arise from the silver surface only. The profiles show the effects of refraction on the beam, and the adverse affect on the depth resolution. Silver films were used to obtain SERS spectra from a 40 nm thin-film coating on PET, without interference from the PET layer. The use of an azo dye probe as a marker to detect the coating is described. Finally, a novel method for the synthesis of a SERS-active vinyl-benzotriazole monomer is reported. The monomer was incorporated into a thin-film coating and the SERS spectrum obtained from the polymer. (author)

  2. Raman spectra studies of dipeptides

    International Nuclear Information System (INIS)

    Blanchard, Simone.

    1977-10-01

    This work deals with the homogenous and heterogeneous dipeptides derived from alanine and glycine, in the solid state or in aqueous solutions, in the zwitterions or chlorhydrates form. The Raman spectra comparative study of these various forms of hydrogenated or deuterated compounds allows to specify some of the attributions which are necessary in the conformational study of the like tripeptides. These compounds contain only one peptidic group; therefore there is no possibility of intramolecular hydrogen bond which caracterise vibrations of non bonded peptidic groups and end groups. Infrared spectra of solid dipeptides will be presented and discussed in the near future [fr

  3. Three-beam double stimulated Raman scatterings: Cascading configuration

    Science.gov (United States)

    Rao, B. Jayachander; Cho, Minhaeng

    2018-03-01

    Two-beam stimulated Raman scattering (SRS) has been used in diverse label-free spectroscopy and imaging applications of live cells, biological tissues, and functional materials. Recently, we developed a theoretical framework for the three-beam double SRS processes that involve pump, Stokes, and depletion beams, where the pump-Stokes and pump-depletion SRS processes compete with each other. It was shown that the net Stokes gain signal can be suppressed by increasing the depletion beam intensity. The theoretical prediction has been experimentally confirmed recently. In the previous scheme for a selective suppression of one SRS by making it compete with another SRS, the two SRS processes occur in a parallel manner. However, there is another possibility of three-beam double SRS scheme that can be of use to suppress either Raman gain of the Stokes beam or Raman loss of the pump beam by depleting the Stokes photons with yet another SRS process induced by the pair of Stokes and another (second) Stokes beam. This three-beam double SRS process resembles a cascading energy transfer process from the pump beam to the first Stokes beam (SRS-1) and subsequently from the first Stokes beam to the second Stokes beam (SRS-2). Here, the two stimulated Raman gain-loss processes are associated with two different Raman-active vibrational modes of solute molecule. In the present theory, both the radiation and the molecules are treated quantum mechanically. We then show that the cascading-type three-beam double SRS can be described by coupled differential equations for the photon numbers of the pump and Stokes beams. From the approximate solutions as well as exact numerical calculation results for the coupled differential equations, a possibility of efficiently suppressing the stimulated Raman loss of the pump beam by increasing the second Stokes beam intensity is shown and discussed. To further prove a potential use of this scheme for developing a super-resolution SRS microscopy, we

  4. New insights on electrochemical hydrogen storage in nanoporous carbons by in situ Raman spectroscopy

    OpenAIRE

    Leyva García, Sarai; Morallón Núñez, Emilia; Cazorla Amorós, Diego; Béguin, François; Lozano Castelló, Dolores

    2014-01-01

    In situ Raman spectroscopy was exploited to analyze the interaction between carbon and hydrogen during electrochemical hydrogen storage at cathodic conditions. Two different activated carbons were used and characterized by different electrochemical techniques in two electrolytes (6 M KOH and 0.5 M Na2SO4). The in situ Raman spectra collected showed that, in addition to the D and G bands associated to the graphitic carbons, two bands appear simultaneously at about 1110 and 1500 cm−1 under cath...

  5. Raman spectroscopy for characterization of annealing of ion-implanted InP

    International Nuclear Information System (INIS)

    Myers, D.R.; Gourley, P.L.; Vaidyanathan, K.V.; Dunlap, H.L.

    1983-01-01

    Raman spectroscopy has been used as a noncontacting, nondestructive tool to evaluate the properties of Si + - and Be + implanted InP samples annealed at temperatures ranging from 600 to 750C using phospho-silicate glass (PSG) as the encapsulant. Carrier activation, carrier mobility and recovery of damage as a function of anneal temperature obtained from analysis of Raman data agree very well with independent electrical measurements. (author)

  6. Development of Femtosecond Stimulated Raman Spectroscopy: Stimulated Raman Gain via Elimination of Cross Phase Modulation

    International Nuclear Information System (INIS)

    Jin, Seung Min; Lee, Young Jong; Yu, Jong Wan; Kim, Seong Keun

    2004-01-01

    We have developed a new femtosecond probe technique by using stimulated Raman spectroscopy. The cross phase modulation in femtosecond time scale associated with off-resonant interaction was shown to be eliminated by integrating the transient gain/loss signal over the time delay between the Raman pump pulse and the continuum pulse. The stimulated Raman gain of neat cyclohexane was obtained to demonstrate the feasibility of the technique. Spectral and temporal widths of stimulated Raman spectra were controlled by using a narrow band pass filter. Femtosecond stimulated Raman spectroscopy was proposed as a highly useful probe in time-resolved vibrational spectroscopy

  7. Progress report of FY 1999 activities: The application of Kalman filtering to derive water vapor profiles from combined ground-based sensors: Raman lidar, microwave radiometers, GPS, and radiosondes

    International Nuclear Information System (INIS)

    Edgeworth R. Westwater; Yong Han

    1999-01-01

    Previously, the proposers have delivered to ARM a documented algorithm, that is now applied operationally, and which derives water vapor profiles from combined remote sensor measurements of water vapor radiometers, cloud-base ceilometers, and radio acoustic sounding systems (RASS). With the expanded deployment of a Raman lidar at the CART Central Facility, high quality, high vertical-resolution, water vapor profiles will be provided during nighttime clear conditions, and during clear daytime conditions, to somewhat lower altitudes. The object of this effort is to use Kalman Filtering, previously applied to the combination of nighttime Raman lidar and microwave radiometer data, to derive high-quality water vapor profiles, during non-precipitating conditions, from data routinely available at the CART site. Input data to the algorithm would include: Raman lidar data, highly quality-controlled data of integrated moisture from microwave radiometers and GPS, RASS, and radiosondes. While analyzing data obtained during the Water Vapor Intensive Operating Period'97 at the SGP CART site in central Oklahoma, several questions arose about the calibration of the ARM microwave radiometers (MWR). A large portion of this years effort was a thorough analysis of the many factors that are important for the calibration of this instrument through the tip calibration method and the development of algorithms to correct this procedure. An open literature publication describing this analysis has been accepted

  8. Infrared and Raman spectroscopy: principles and spectral interpretation

    National Research Council Canada - National Science Library

    Larkin, Peter

    2011-01-01

    "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation explains the background, core principles and tests the readers understanding of the important techniques of Infrared and Raman Spectroscopy...

  9. Analysis of ancient pigments by Raman microscopy

    International Nuclear Information System (INIS)

    Zuo Jian; Xu Cunyi

    1999-01-01

    Raman microscopy can be applied for the spatial resolution, and non-destructive in situ analysis of inorganic pigments in pottery, manuscripts and paintings. Compared with other techniques, it is the best single technique for this purpose. An overview is presented of the applications of Raman microscopy in the analysis of ancient pigments

  10. RAMAN-SPECTRA OF HUMAN DENTAL CALCULUS

    NARCIS (Netherlands)

    TSUDA, H; ARENDS, J

    1993-01-01

    Raman spectra of human dental calculus have been observed for the first time by use of micro-Raman spectroscopy. The spectral features of calculus were influenced easily by heating caused by laser irradiation. Therefore, the measurements were carried out at relatively low power (5 mW, 1-mu m spot

  11. Self-pulsation in Raman fiber amplifiers

    DEFF Research Database (Denmark)

    Pedersen, Martin Erland Vestergaard; Ott, Johan Raunkjær; Rottwitt, Karsten

    2009-01-01

    Dynamic behavior caused by Brillouin scattering in Raman fiber amplifiers is studied. Modes of self-pulsation steady state oscillations are found. Their dependence on amplification scheme is demonstrated.......Dynamic behavior caused by Brillouin scattering in Raman fiber amplifiers is studied. Modes of self-pulsation steady state oscillations are found. Their dependence on amplification scheme is demonstrated....

  12. Raman Spectroscopic Studies of Methane Gas Hydrates

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Berg, Rolf W.

    2009-01-01

    A brief review of the Raman spectroscopic studies of methane gas hydrates is given, supported by some new measurements done in our laboratory.......A brief review of the Raman spectroscopic studies of methane gas hydrates is given, supported by some new measurements done in our laboratory....

  13. Characterization of Materials by Raman Scattering

    Science.gov (United States)

    Kozielski, M.

    2007-03-01

    The paper reports on the use of phonon spectra obtained with the Raman spectroscopy for characterization of different materials. The Raman scattering spectra obtained for zinc selenide crystals, mixed crystals zinc selenide admixtured with magnesium or beryllium, oxide crystals including strontium lanthanum gallate, molecular crystals of triammonium hydrogen diseleniate and a homologous series of polyoxyethylene glycols are analysed.

  14. INFRARED AND RAMAN SPECTROSCOPIC STUDY OF ION ...

    African Journals Online (AJOL)

    Infrared and Raman spectroscopy techniques have been used to study the ionic interactions of strontium(II) and barium(II) with thiocyanate ion in liquid ammonia. A number of bands were observed in both n (CN) and n (CS) regions of infrared and Raman spectra and these were assigned to 1:1 contact ion pair, ...

  15. Applications of Raman spectroscopy in life science

    Science.gov (United States)

    Martin, Airton A.; T. Soto, Cláudio A.; Ali, Syed M.; Neto, Lázaro P. M.; Canevari, Renata A.; Pereira, Liliane; Fávero, Priscila P.

    2015-06-01

    Raman spectroscopy has been applied to the analysis of biological samples for the last 12 years providing detection of changes occurring at the molecular level during the pathological transformation of the tissue. The potential use of this technology in cancer diagnosis has shown encouraging results for the in vivo, real-time and minimally invasive diagnosis. Confocal Raman technics has also been successfully applied in the analysis of skin aging process providing new insights in this field. In this paper it is presented the latest biomedical applications of Raman spectroscopy in our laboratory. It is shown that Raman spectroscopy (RS) has been used for biochemical and molecular characterization of thyroid tissue by micro-Raman spectroscopy and gene expression analysis. This study aimed to improve the discrimination between different thyroid pathologies by Raman analysis. A total of 35 thyroid tissues samples including normal tissue (n=10), goiter (n=10), papillary (n=10) and follicular carcinomas (n=5) were analyzed. The confocal Raman spectroscopy allowed a maximum discrimination of 91.1% between normal and tumor tissues, 84.8% between benign and malignant pathologies and 84.6% among carcinomas analyzed. It will be also report the application of in vivo confocal Raman spectroscopy as an important sensor for detecting advanced glycation products (AGEs) on human skin.

  16. Confocal Raman Microscopy; applications in tissue engineering

    NARCIS (Netherlands)

    van Apeldoorn, Aart A.

    2005-01-01

    This dissertation describes the use of confocal Raman microscopy and spectroscopy in the field of tissue engineering. Moreover, it describes the combination of two already existing technologies, namely scanning electron microscopy and confocal Raman spectroscopy in one apparatus for the enhancement

  17. Raman spectra of human dentin mineral

    NARCIS (Netherlands)

    Tsuda, H; Ruben, J; Arends, J

    Human dentin mineral has been investigated by using micro-Raman spectroscopy. Fluorescence and thermal problems were largely avoided by preparing dentin samples by grinding and ultrasonic agitation in acetone. The Raman spectral features were consistent with those of impure hydroxyapatite containing

  18. Development of a Raman spectrometer to study surface-enhanced Raman scattering

    International Nuclear Information System (INIS)

    Biswas, Nandita; Chadha, Ridhima; Kapoor, Sudhir; Sarkar, Sisir K.; Mukherjee, Tulsi

    2011-02-01

    Raman spectroscopy is an important tool, which provides enormous information on the vibrational and structural details of materials. This understanding is not only interesting due to its fundamental importance, but also of considerable importance in optoelectronics and device applications of these materials in nanotechnology. In this report, we begin with a brief introduction on the Raman effect and various Raman scattering techniques, followed by a detailed discussion on the development of an instrument with home-built collection optics attachment. This Raman system consists of a pulsed laser excitation source, a sample compartment, collection optics to collect the scattered light, a notch filter to reject the intense laser light, a monochromator to disperse the scattered light and a detector to detect the Raman signal. After calibrating the Raman spectrometer with standard solvents, we present our results on Surface-Enhanced Raman Scattering (SERS) investigations on three different kinds of chemical systems. (author)

  19. High Fidelity Raman Chemical Imaging of Materials

    Science.gov (United States)

    Bobba, Venkata Nagamalli Koteswara Rao

    The development of high fidelity Raman imaging systems is important for a number of application areas including material science, bio-imaging, bioscience and healthcare, pharmaceutical analysis, and semiconductor characterization. The use of Raman imaging as a characterization tool for detecting the amorphous and crystalline regions in the biopolymer poly-L-lactic acid (PLLA) is the precis of my thesis. In the first chapter, a brief insight about the basics of Raman spectroscopy, Raman chemical imaging, Raman mapping, and Raman imaging techniques has been provided. The second chapter contains details about the successful development of tailored sample of PLLA. Biodegradable polymers are used in areas of tissue engineering, agriculture, packaging, and in medical field for drug delivery, implant devices, and surgical sutures. Detailed information about the sample preparation and characterization of these cold-drawn PLLA polymer substrates has been provided. Wide-field Raman hyperspectral imaging using an acousto-optic tunable filter (AOTF) was demonstrated in the early 1990s. The AOTF contributed challenges such as image walk, distortion, and image blur. A wide-field AOTF Raman imaging system has been developed as part of my research and methods to overcome some of the challenges in performing AOTF wide-field Raman imaging are discussed in the third chapter. This imaging system has been used for studying the crystalline and amorphous regions on the cold-drawn sample of PLLA. Of all the different modalities that are available for performing Raman imaging, Raman point-mapping is the most extensively used method. The ease of obtaining the Raman hyperspectral cube dataset with a high spectral and spatial resolution is the main motive of performing this technique. As a part of my research, I have constructed a Raman point-mapping system and used it for obtaining Raman hyperspectral image data of various minerals, pharmaceuticals, and polymers. Chapter four offers

  20. Relaxation oscillations in stimulated Raman scattering

    International Nuclear Information System (INIS)

    Kachen, G.I.; Lowdermilk, W.H.

    1977-01-01

    Light pulses created by stimulated Raman scattering having been found to exhibit a complex time dependence which resembles relaxation oscillations. A focused laser pulse generated both forward and backward Raman emissions which appeared as a series of pulses with durations much shorter than the incident laser pulse. Time dependence of the Raman emission was observed directly by use of a streak camera. The number of observed pulses increased with the intensity of the incident pulse, while separation of the pulses in time depended on the length of the focal region. Beam focusing was incorporated in the coupled wave equations for stimulated Raman scattering. These rate equations were then solved numerically, and the results are in good qualitative agreement with the experimental observations. The short Raman pulses are created by a process associated with depletion of the incident laser pulse. This process occurs under a broad range of conditions

  1. Raman spectra of filled carbon nanotubes

    International Nuclear Information System (INIS)

    Bose, S.M.; Behera, S.N.; Sarangi, S.N.; Entel, P.

    2004-01-01

    The Raman spectra of a metallic carbon nanotube filled with atoms or molecules have been investigated theoretically. It is found that there will be a three way splitting of the main Raman lines due to the interaction of the nanotube phonon with the collective excitations (plasmons) of the conduction electrons of the nanotube as well as its coupling with the phonon of the filling material. The positions and relative strengths of these Raman peaks depend on the strength of the electron-phonon interaction, phonon frequency of the filling atom and the strength of interaction of the nanotube phonon and the phonon of the filling atoms. Careful experimental studies of the Raman spectra of filled nanotubes should show these three peaks. It is also shown that in a semiconducting nanotube the Raman line will split into two and should be observed experimentally

  2. Ultrafast surface-enhanced Raman spectroscopy.

    Science.gov (United States)

    Keller, Emily L; Brandt, Nathaniel C; Cassabaum, Alyssa A; Frontiera, Renee R

    2015-08-07

    Ultrafast surface-enhanced Raman spectroscopy (SERS) with pico- and femtosecond time resolution has the ability to elucidate the mechanisms by which plasmons mediate chemical reactions. Here we review three important technological advances in these new methodologies, and discuss their prospects for applications in areas including plasmon-induced chemistry and sensing at very low limits of detection. Surface enhancement, arising from plasmonic materials, has been successfully incorporated with stimulated Raman techniques such as femtosecond stimulated Raman spectroscopy (FSRS) and coherent anti-Stokes Raman spectroscopy (CARS). These techniques are capable of time-resolved measurement on the femtosecond and picosecond time scale and can be used to follow the dynamics of molecules reacting near plasmonic surfaces. We discuss the potential application of ultrafast SERS techniques to probe plasmon-mediated processes, such as H2 dissociation and solar steam production. Additionally, we discuss the possibilities for high sensitivity SERS sensing using these stimulated Raman spectroscopies.

  3. Implementation of Deep Ultraviolet Raman Spectroscopy

    DEFF Research Database (Denmark)

    Liu, Chuan

    of the aromatics, Toluene and Naphthalene, in the gasoline. Chapter 6 shows examples of other applications of DUV Raman spectroscopy, for instance for the illegal red food additive: Sudan I. For this dye Raman spectra - useful to indicate an unwanted presence - could not be obtained with green or blue laser line...... Raman spectrometry was further applied to detect another illegal food additive, Melamine, in milk sample. It was shown that the DUV constitutes a more sensitive measurement method than traditional Raman spectrometry and realizes a direct detection in liquid milk. In another research field regarding...... spectra of the gasoline samples. It is virtually unimportant what the rest of the sample consisted of. The most intense characteristic band is located at 1381 cm-1. The Raman spectra of home-made artificial gasoline mixtures - with gradually increasing Naphthalene contents - can be used to determine...

  4. Raman scattering of Cisplatin near silver nanoparticles

    Science.gov (United States)

    Mirsaleh-Kohan, Nasrin; Duplanty, Michael; Torres, Marjorie; Moazzezi, Mojtaba; Rostovtsev, Yuri V.

    2018-03-01

    The Raman scattering of Cisplatin (the first generation of anticancer drugs) has been studied. In the presence of silver nanoparticles, strong modifications of Raman spectra have been observed. The Raman frequencies have been shifted and the line profiles are broadened. We develop a theoretical model to explain the observed features of the Raman scattering. The model takes into account self-consistently the interaction of molecules with surface plasmonic waves excited in the silver nanoparticles, and it provides a qualitative agreement with the observed Raman spectra. We have demonstrated that the using silver nanoparticles can increase sensitivity of the technique, and potentially it has a broader range of applications to both spectroscopy and microscopy.

  5. Pulse compression by Raman induced cavity dumping

    International Nuclear Information System (INIS)

    De Rougemont, F.; Xian, D.K.; Frey, R.; Pradere, F.

    1985-01-01

    High efficiency pulse compression using Raman induced cavity dumping has been studied theoretically and experimentally. Through stimulated Raman scattering the electromagnetic energy at a primary frequency is down-converted and extracted from a storage cavity containing the Raman medium. Energy storage may be achieved either at the laser frequency by using a laser medium inside the storage cavity, or performed at a new frequency obtained through an intracavity nonlinear process. The storage cavity may be dumped passively through stimulated Raman scattering either in an oscillator or in an amplifier. All these cases have been studied by using a ruby laser as the pump source and compressed hydrogen as the Raman scatter. Results differ slightly accordingly to the technique used, but pulse shortenings higher than 10 and quantum efficiencies higher than 80% were obtained. This method could also be used with large power lasers of any wavelength from the ultraviolet to the farinfrared spectral region

  6. Applications of Raman spectroscopy to gemology.

    Science.gov (United States)

    Bersani, Danilo; Lottici, Pier Paolo

    2010-08-01

    Being nondestructive and requiring short measurement times, a low amount of material, and no sample preparation, Raman spectroscopy is used for routine investigation in the study of gemstone inclusions and treatments and for the characterization of mounted gems. In this work, a review of the use of laboratory Raman and micro-Raman spectrometers and of portable Raman systems in the gemology field is given, focusing on gem identification and on the evaluation of the composition, provenance, and genesis of gems. Many examples are shown of the use of Raman spectroscopy as a tool for the identification of imitations, synthetic gems, and enhancement treatments in natural gemstones. Some recent developments are described, with particular attention being given to the semiprecious stone jade and to two important organic materials used in jewelry, i.e., pearls and corals.

  7. Raman spectroscopy in pharmaceutical product design

    DEFF Research Database (Denmark)

    Paudel, Amrit; Raijada, Dhara; Rantanen, Jukka

    2015-01-01

    Almost 100 years after the discovery of the Raman scattering phenomenon, related analytical techniques have emerged as important tools in biomedical sciences. Raman spectroscopy and microscopy are frontier, non-invasive analytical techniques amenable for diverse biomedical areas, ranging from...... molecular-based drug discovery, design of innovative drug delivery systems and quality control of finished products. This review presents concise accounts of various conventional and emerging Raman instrumentations including associated hyphenated tools of pharmaceutical interest. Moreover, relevant...... application cases of Raman spectroscopy in early and late phase pharmaceutical development, process analysis and micro-structural analysis of drug delivery systems are introduced. Finally, potential areas of future advancement and application of Raman spectroscopic techniques are discussed....

  8. Optimizing laser crater enhanced Raman spectroscopy.

    Science.gov (United States)

    Lednev, V N; Sdvizhenskii, P A; Grishin, M Ya; Filichkina, V A; Shchegolikhin, A N; Pershin, S M

    2018-03-20

    Raman signal enhancement by laser crater production was systematically studied for 785 nm continuous wave laser pumping. Laser craters were produced in L-aspartic acid powder by a nanosecond pulsed solid state neodymium-doped yttrium aluminum garnet laser (532 nm, 8 ns, 1 mJ/pulse), while Raman spectra were then acquired by using a commercial spectrometer with 785 nm laser beam pumping. The Raman signal enhancement effect was studied in terms of the number of ablating pulses used, the lens-to-sample distance, and the crater-center-laser-spot offset. The influence of the experiment parameters on Raman signal enhancement was studied for different powder materials. Maximum Raman signal enhancement reached 11 fold for loose powders but decreased twice for pressed tablets. Raman signal enhancement was demonstrated for several diverse powder materials like gypsum or ammonium nitrate with better results achieved for the samples tending to give narrow and deep craters upon the laser ablation stage. Alternative ways of cavity production (steel needle tapping and hole drilling) were compared with the laser cratering technique in terms of Raman signal enhancement. Drilling was found to give the poorest enhancement of the Raman signal, while both laser ablation and steel needle tapping provided comparable results. Here, we have demonstrated for the first time, to the best of our knowledge, that a Raman signal can be enhanced 10 fold with the aid of simple cavity production by steel needle tapping in rough highly reflective materials. Though laser crater enhancement Raman spectroscopy requires an additional pulsed laser, this technique is more appropriate for automatization compared to the needle tapping approach.

  9. A study of photoluminescence and micro-Raman scattering in C-implanted GaN

    International Nuclear Information System (INIS)

    Zhang Limin; Zhang Xiaodong; Liu Zhengmin

    2010-01-01

    GaN samples (no yellow luminescence) in their as-grown states were implanted with 10 13 -10 17 C ions/cm 2 and studied by photoluminescence spectra and micro-Raman scattering spectra. The photoluminescence study showed that yellow luminescence were produced in the C-implanted GaN after 950 degree C annealing, and the peaks of the near band edge emissions showed blue-shifts after C implantation. The Raman measurements indicated that the stresses in GaN films did not change after C implantation. The samples implanted with 10 15 cm -2 carbon ions had the Raman peak at 300 cm -1 , which is associated to the disorder-activated Raman scattering. However, further increasing the implantation dose resulted decreased intensity of the 300 cm -1 peak, due to the ion beam current increase with the implantation dose. (authors)

  10. The Raman spectrum of LaFeO3

    International Nuclear Information System (INIS)

    Tompsett, G.A.; Phillips, R.J.; Sammes, N.M.

    1998-01-01

    LaFeO 3 was prepared using a reverse-strike coprecipitation method and compacts of the calcined powder were sintered at 1350, 1400 and 1450 deg C for 6 h. The Raman spectra of LaFeO 3 were obtained at both low-temperature and room-temperature, with 9 bands observed of predicted 24 Raman active modes. Mode assignment is determined from comparison with perovskites with the same structure, namely, SmAlO 3 and LaGaO 3 and are as follows: 102 (B 1g ), ca.140 (B 2g ), 150 (B 1g ), 176 (A g ), 227 (B 3g ), 261 (A g ), 289 (A g ), 429 (B 3g ). Copyright (1998) Australasian Ceramic Society

  11. Surface-enhanced Raman spectroscopy bioanalytical, biomolecular and medical applications

    CERN Document Server

    Procházka, Marek

    2016-01-01

    This book gives an overview of recent developments in RS and SERS for sensing and biosensing considering also limitations, possibilities and prospects of this technique. Raman scattering (RS) is a widely used vibrational technique providing highly specific molecular spectral patterns. A severe limitation for the application of this spectroscopic technique lies in the low cross section of RS. Surface-enhanced Raman scattering (SERS) spectroscopy overcomes this problem by 6-11 orders of magnitude enhancement compared with the standard RS for molecules in the close vicinity of certain rough metal surfaces. Thus, SERS combines molecular fingerprint specificity with potential single-molecule sensitivity. Due to the recent development of new SERS-active substrates, labeling and derivatization chemistry as well as new instrumentations, SERS became a very promising tool for many varied applications, including bioanalytical studies and sensing. Both intrinsic and extrinsic SERS biosensing schemes have been employed to...

  12. Normal state Raman spectra of high-Tc cuprates

    International Nuclear Information System (INIS)

    Bishoyi, K.C.; Rout, G.C.; Behera, S.N.

    2003-01-01

    We present a microscopic theory to explain Raman spectra of high-T c cuprates R 2-x M x CuO 4 in the normal state. We used electronic Hamiltonian prescribed by Fulde in presence of anti-ferromagnetism. Phonon interaction to the hybridization between the conduction electrons of the system and the f-electrons has been incorporated in the calculation. The phonon spectral density is calculated by the Green function technique of Zubarev at zero wave vector and finite (room) temperature limit. Parameter dependence of Raman active phonon frequencies are studied by varying model parameters of the system i.e. the position of f-level (ε f ), the effective electron-phonon coupling strength (g), the staggered magnetic field (h 1 ), and the hybridization parameter (v). The four Raman active peaks (P 1 to P 4 ) represent the electronic states of the atomic sub-systems of the cuprate systems. They show up as phonon excitations due to the coupling of the phonon to the electrons and the anti-ferromagnetic gap. (author)

  13. Profilometry of thin films on rough substrates by Raman spectroscopy

    KAUST Repository

    Ledinský, Martin

    2016-12-06

    Thin, light-absorbing films attenuate the Raman signal of underlying substrates. In this article, we exploit this phenomenon to develop a contactless thickness profiling method for thin films deposited on rough substrates. We demonstrate this technique by probing profiles of thin amorphous silicon stripes deposited on rough crystalline silicon surfaces, which is a structure exploited in high-efficiency silicon heterojunction solar cells. Our spatially-resolved Raman measurements enable the thickness mapping of amorphous silicon over the whole active area of test solar cells with very high precision; the thickness detection limit is well below 1 nm and the spatial resolution is down to 500 nm, limited only by the optical resolution. We also discuss the wider applicability of this technique for the characterization of thin layers prepared on Raman/photoluminescence-active substrates, as well as its use for single-layer counting in multilayer 2D materials such as graphene, MoS2 and WS2.

  14. Profilometry of thin films on rough substrates by Raman spectroscopy

    KAUST Repository

    Ledinský , Martin; Paviet-Salomon, Bertrand; Vetushka, Aliaksei; Geissbü hler, Jonas; Tomasi, Andrea; Despeisse, Matthieu; De Wolf, Stefaan; Ballif  , Christophe; Fejfar, Antoní n

    2016-01-01

    Thin, light-absorbing films attenuate the Raman signal of underlying substrates. In this article, we exploit this phenomenon to develop a contactless thickness profiling method for thin films deposited on rough substrates. We demonstrate this technique by probing profiles of thin amorphous silicon stripes deposited on rough crystalline silicon surfaces, which is a structure exploited in high-efficiency silicon heterojunction solar cells. Our spatially-resolved Raman measurements enable the thickness mapping of amorphous silicon over the whole active area of test solar cells with very high precision; the thickness detection limit is well below 1 nm and the spatial resolution is down to 500 nm, limited only by the optical resolution. We also discuss the wider applicability of this technique for the characterization of thin layers prepared on Raman/photoluminescence-active substrates, as well as its use for single-layer counting in multilayer 2D materials such as graphene, MoS2 and WS2.

  15. Raman spectroscopy in high temperature chemistry

    International Nuclear Information System (INIS)

    Drake, M.C.; Rosenblatt, G.M.

    1979-01-01

    Raman spectroscopy (largely because of advances in laser and detector technology) is assuming a rapidly expanding role in many areas of research. This paper reviews the contribution of Raman spectroscopy in high temperature chemistry including molecular spectroscopy on static systems and gas diagnostic measurements on reactive systems. An important aspect of high temperature chemistry has been the identification and study of the new, and often unusual, gaseous molecules which form at high temperatures. Particularly important is the investigation of vibrational-rotational energy levels and electronic states which determine thermodynamic properties and describe chemical bonding. Some advantages and disadvantages of high temperature Raman spectrosocpy for molecular studies on static systems are compared: (1) Raman vs infrared; (2) gas-phase vs condensed in matries; and (3) atmospheric pressure Raman vs low pressure techniques, including mass spectroscopy, matrix isolation, and molecular beams. Raman studies on molecular properties of gases, melts, and surfaces are presented with emphasis on work not covered in previous reviews of high temperature and matrix isolation Raman spectroscopy

  16. Raman spectroscopy in high temperature chemistry

    International Nuclear Information System (INIS)

    Drake, M.C.; Rosenblatt, G.M.

    1979-01-01

    Raman spectroscopy (largely because of advances in laser and detector technology) is assuming a rapidly expanding role in many areas of research. This paper reviews the contribution of Raman spectroscopy in high temperature chemistry including molecular spectroscopy on static systems and gas diagnostic measurements on reactive systems. An important aspect of high temperature chemistry has been the identification and study of the new, and often unusual, gaseous molecules which form at high temperatures. Particularly important is the investigation of vibrational-rotational energy levels and electronic states which determine thermodynamic properties and describe chemical bonding. Some advantages and disadvantages of high temperature Raman spectrosocpy for molecular studies on static systems are compared: (1) Raman vs infrared; (2) gas-phase vs condensed in matrices; and (3) atmospheric pressure Raman vs low pressure techniques, including mass spectroscopy, matrix isolation, and molecular beams. Raman studies on molecular properties of gases, melts, and surfaces are presented with emphasis on work not covered in previous reviews of high temperature and matrix isolation Raman spectroscopy

  17. Characterization of conducting polyaniline blends by Resonance Raman Spectroscopy

    International Nuclear Information System (INIS)

    Silva, Jose E. Pereira da; Temperini, Marcia L.A.; Torresi, Susana I. Cordoba de

    2005-01-01

    Raman and optical microscopy were used to investigate possible interactions between polyaniline (PANI) and different insulating polymers in conducting blends. Resonance Raman and optical micrographs were used to study the physical interaction in materials. Analysis Raman spectra was done investigating the relative intensity of bands at 574 and 607 cm -1 . A relationship between Raman bands and conductivity was also proposed. (author)

  18. Raman Chair | About IASc | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Raman Chair. The Raman Chair was instituted in 1972 by the Government of India to commemorate the memory of the founder of the Academy, Sir C. V. Raman. Eminent scientists are invited by the Council of the Academy to occupy the Chair, for periods of between six weeks and six months. Raman Professors who have ...

  19. Resonance Raman study of benzyl radical

    DEFF Research Database (Denmark)

    Langkilde, F.W.; Bajdor, K.; Wilbrandt, R.

    1992-01-01

    Time-resolved resonance Raman spectra are obtained of benzyl radicals created by laser flash photolysis of benzylchloride and diphenylacetone in solution. The spectra are obtained in resonance with the intense 2 2A2-1 B-2(2) transition of benzyl. The strong Raman bands are assigned to totally...... symmetric a1 modes. The remaining observed bands are tentatively assigned to fundamental modes of b1, a2, and b2 symmetry, and to overtones and combinations. The resonance Raman spectra are found to be quite different from previous fluorescence spectra of benzyl, and the origins of these differences...

  20. Detection of laser damage by Raman microscopy

    International Nuclear Information System (INIS)

    Fauchet, P.M.; Campbell, I.H.; Adar, F.

    1988-01-01

    The authors demonstrate that Raman miroscopy is a sensitive and quantitative tool to detect and characterize laser-induced damage in solids. After damage is induced with single or multiple high power laser pulses, a Raman microprobe maps the surface of the sample with one micron spatial resolution. By performing accurate measurements of the Stokes line, the authors have been able to measure stress, strain and crystallinity in various samples which had been exposed to high intensity pulses. These results are compared to those obtained using conventional tools such as Nomarski microscopy. Major advantages of Raman microscopy include sensitivity to subtle structural modifications and the fact that it gives quantitative measurements

  1. Raman band intensities of tellurite glasses.

    Science.gov (United States)

    Plotnichenko, V G; Sokolov, V O; Koltashev, V V; Dianov, E M; Grishin, I A; Churbanov, M F

    2005-05-15

    Raman spectra of TeO2-based glasses doped with WO3, ZnO, GeO2, TiO2, MoO3, and Sb2O3 are measured. The intensity of bands in the Raman spectra of MoO3-TeO2 and MoO3-WO3-TeO2 glasses is shown to be 80-95 times higher than that for silica glass. It is shown that these glasses can be considered as one of the most promising materials for Raman fiber amplifiers.

  2. Raman overtone intensities measured for H2

    International Nuclear Information System (INIS)

    Shelton, D.P.

    1990-01-01

    The Raman spectra of the vibrational fundamental, first overtone and second overtone transitions of the H 2 molecule were recorded using visible and ultraviolet argon--ion laser excitation. The ratios of transition polarizability matrix elements, α 01,21 /α 01,11 and α 01,31 /α 01,11 , were determined from the measured intensities of the Q(1) Raman lines v,J=0,1→v',1 for v'=1,2,3. The experimentally determined value of the Raman first overtone matrix element is in good agreement with the value from the best ab initio calculation

  3. Biosignatures observed by Raman mapping in silicified materials

    Science.gov (United States)

    Foucher, F.; Westall, F.; Knoll, A.

    2012-04-01

    Establishing the biogenicity of ancient microbial remains is relatively difficult due to their simple shape and small size (micrometric-submicrometric). Potential biosignatures that remain in the rocks are related to morphological aspects of the potential microfossils, their chemical composition (carbon and associated elements), and evidence for metabolic activity (elemental isotopic signature, biominerals, corrosion/leaching features). Detection of biosignatures related to each of these microbial characteristics will increase the confidence with which biogenicity can be assigned to an unknown structure. However, given the small size of the microfossils and the consequent faint organic/geochemical traces, sophisticated instrumentation, such as mass spectrometers, electron microscopes, proton probes, nano-SIMS or even synchrotrons is generally required. In this study, we demonstrate the usefulness of Raman spectroscopy, and in particular Raman mapping, as a very powerful tool for the study of both organic and minerals biosignatures. Our investigations concern silicified, carbonaceous-walled microfossils from the Precambrian (700-800 Ma) Draken Formation, Spitsbergen (Svalbard). The microfossils consist of filamentous cyanobacterial mats containing trapped coccoidal planktonic microorganisms. The filaments are generally ~5 µm in width and the coccoidal structures are ~10µm in diameter. The Raman spectrometer used (WITec Alpha500 RA) allows compositional 2D/3D mapping at a sub-micrometric resolution of fossilised microorganisms, whose biogenicity had been previously established on the basis of their morphological characteristics and carbonaceous composition [1]. Complementary features were revealed by the micro-Raman mapping that may aid interpretation of biogenicity in an unknown structure. They included detection of opaline silica, titanium dioxide (anatase), pyrite and hydroxyapatite associated with the microfossils. Opaline silica is metastable and normally

  4. Raman spectroscopy of individual monocytes reveals that single-beam optical trapping of mononuclear cells occurs by their nucleus

    International Nuclear Information System (INIS)

    Fore, Samantha; Chan, James; Taylor, Douglas; Huser, Thomas

    2011-01-01

    We show that laser tweezers Raman spectroscopy of eukaryotic cells with a significantly larger diameter than the tight focus of a single-beam laser trap leads to optical trapping of the cell by its optically densest part, i.e. typically the cell's nucleus. Raman spectra of individual optically trapped monocytes are compared with location-specific Raman spectra of monocytes adhered to a substrate. When the cell's nucleus is stained with a fluorescent live cell stain, the Raman spectrum of the DNA-specific stain is observed only in the nucleus of individual monocytes. Optically trapped monocytes display the same behavior. We also show that the Raman spectra of individual monocytes exhibit the characteristic Raman signature of cells that have not yet fully differentiated and that individual primary monocytes can be distinguished from transformed monocytes based on their Raman spectra. This work provides further evidence that laser tweezers Raman spectroscopy of individual cells provides meaningful biochemical information in an entirely non-destructive fashion that permits discerning differences between cell types and cellular activity

  5. Emerging technology: applications of Raman spectroscopy for prostate cancer.

    Science.gov (United States)

    Kast, Rachel E; Tucker, Stephanie C; Killian, Kevin; Trexler, Micaela; Honn, Kenneth V; Auner, Gregory W

    2014-09-01

    There is a need in prostate cancer diagnostics and research for a label-free imaging methodology that is nondestructive, rapid, objective, and uninfluenced by water. Raman spectroscopy provides a molecular signature, which can be scaled from micron-level regions of interest in cells to macroscopic areas of tissue. It can be used for applications ranging from in vivo or in vitro diagnostics to basic science laboratory testing. This work describes the fundamentals of Raman spectroscopy and complementary techniques including surface enhanced Raman scattering, resonance Raman spectroscopy, coherent anti-Stokes Raman spectroscopy, confocal Raman spectroscopy, stimulated Raman scattering, and spatially offset Raman spectroscopy. Clinical applications of Raman spectroscopy to prostate cancer will be discussed, including screening, biopsy, margin assessment, and monitoring of treatment efficacy. Laboratory applications including cell identification, culture monitoring, therapeutics development, and live imaging of cellular processes are discussed. Potential future avenues of research are described, with emphasis on multiplexing Raman spectroscopy with other modalities.

  6. Raman Spectroscopy with simple optic components; Espectrometria Raman con componentes opticos simples

    Energy Technology Data Exchange (ETDEWEB)

    Mendoza, Mario; Cunya, Eduardo; Olivera, Paula [Direccion de Investigacion y Desarrollo, Instituto Peruano de Energia Nuclear, Lima (Peru)

    2014-07-01

    Raman Spectroscopy is .a high resolution photonics technique that provides chemical and structural information of almost any material, organic or inorganic compound. In this report we describe the implementation of a system based on the principle of Raman scattering, developed to analyze solid samples. The spectrometer integrates an optical bench coupled to an optical fiber and a green laser source of 532 nm. The spectrometer was tested obtaining the Naphthalene and the Yellow 74 Pigment Raman patterns. (authors).

  7. An Empirical Study on Raman Peak Fitting and Its Application to Raman Quantitative Research.

    Science.gov (United States)

    Yuan, Xueyin; Mayanovic, Robert A

    2017-10-01

    Fitting experimentally measured Raman bands with theoretical model profiles is the basic operation for numerical determination of Raman peak parameters. In order to investigate the effects of peak modeling using various algorithms on peak fitting results, the representative Raman bands of mineral crystals, glass, fluids as well as the emission lines from a fluorescent lamp, some of which were measured under ambient light whereas others under elevated pressure and temperature conditions, were fitted using Gaussian, Lorentzian, Gaussian-Lorentzian, Voigtian, Pearson type IV, and beta profiles. From the fitting results of the Raman bands investigated in this study, the fitted peak position, intensity, area and full width at half-maximum (FWHM) values of the measured Raman bands can vary significantly depending upon which peak profile function is used in the fitting, and the most appropriate fitting profile should be selected depending upon the nature of the Raman bands. Specifically, the symmetric Raman bands of mineral crystals and non-aqueous fluids are best fit using Gaussian-Lorentzian or Voigtian profiles, whereas the asymmetric Raman bands are best fit using Pearson type IV profiles. The asymmetric O-H stretching vibrations of H 2 O and the Raman bands of soda-lime glass are best fit using several Gaussian profiles, whereas the emission lines from a florescent light are best fit using beta profiles. Multiple peaks that are not clearly separated can be fit simultaneously, provided the residuals in the fitting of one peak will not affect the fitting of the remaining peaks to a significant degree. Once the resolution of the Raman spectrometer has been properly accounted for, our findings show that the precision in peak position and intensity can be improved significantly by fitting the measured Raman peaks with appropriate profiles. Nevertheless, significant errors in peak position and intensity were still observed in the results from fitting of weak and wide Raman

  8. Biomedical Applications of Micro-Raman and Surface-Enhanced Raman Scattering (SERS) Technology

    Science.gov (United States)

    2012-10-01

    hydroxyapatite ; 1073cm-1, carbonate from carbonate apatite; 1442cm-1, cholesterol and cholesterol esters. 17 Table 1. Tentative assignment and Raman peak...allowed for the discrete location of atherosclerotic plaques. Raman peaks at 961 and 1073 cm-1 reveal the presence of calcium hydroxyapatite and... hydroxyapatite are located within the vessel wall. Similarly, Fig. 5 maps the Raman intensity of the peak at 1073cm-1, which is indicative of

  9. Unveiling NIR Aza-Boron-Dipyrromethene (BODIPY) Dyes as Raman Probes: Surface-Enhanced Raman Scattering (SERS)-Guided Selective Detection and Imaging of Human Cancer Cells.

    Science.gov (United States)

    Adarsh, Nagappanpillai; Ramya, Adukkadan N; Maiti, Kaustabh Kumar; Ramaiah, Danaboyina

    2017-10-12

    The development of new Raman reporters has attracted immense attention in diagnostic research based on surface enhanced Raman scattering (SERS) techniques, which is a well established method for ultrasensitive detection through molecular fingerprinting and imaging. Herein, for the first time, we report the unique and efficient Raman active features of the selected aza-BODIPY dyes 1-6. These distinctive attributes could be extended at the molecular level to allow detection through SERS upon adsorption onto nano-roughened gold surface. Among the newly revealed Raman reporters, the amino substituted derivative 4 showed high signal intensity at very low concentrations (ca. 0.4 μm for 4-Au). Interestingly, an efficient nanoprobe has been constructed by using gold nanoparticles as SERS substrate, and 4 as the Raman reporter (4-Au@PEG), which unexpectedly showed efficient recognition of three human cancer cells (lung: A549, cervical: HeLa, Fibrosarcoma: HT-1080) without any specific surface marker. We observed well reflected and resolved Raman mapping and characteristic signature peaks whereas, such recognition was not observed in normal fibroblast (3T3L1) cells. To confirm these findings, a SERS nanoprobe was conjugated with a specific tumour targeting marker, EGFR (Epidermal Growth Factor Receptor), a well known targeted agent for Human Fibrosarcoma (HT1080). This nanoprobe efficiently targeted the surface marker of HT1080 cells, threreby demonstrating its use as an ultrasensitive Raman probe for detection and targeted imaging, leaving normal cells unaffected. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Mineralogical composition of the meteorite El Pozo (Mexico): a Raman, infrared and XRD study.

    Science.gov (United States)

    Ostrooumov, Mikhail; Hernández-Bernal, Maria del Sol

    2011-12-01

    The Raman (RMP), infrared (IR) and XRD analysis have been applied to the examination of mineralogical composition of El Pozo meteorite (an ordinary chondrite L5 type; village Valle of Allende, founded in State of Chihuahua, Mexico: 26°56'N and 105°24'W, 1998). RMP measurements in the range of 100-3500 cm(-1) revealed principal characteristic bands of the major minerals: olivine, two polymorph modifications of pyroxene (OPx and CPx) and plagioclase. Some bands of the minor minerals (hematite and goethite) were also identified. All these minerals were clearly distinguished using IR and XRD techniques. XRD technique has shown the presence of some metallic phases such as kamacite and taenite as well as troilite and chromite. These minerals do not have characteristic Raman spectra because Fe-Ni metals have no active modes for Raman spectroscopy and troilite is a weak Raman scatterer. Raman mapping microspectroscopy was a key part in the investigation of El Pozo meteorite's spatial distribution of the main minerals because these samples are structurally and chemically complex and heterogeneous. The mineral mapping by Raman spectroscopy has provided information for a certain spatial region on which a spatial distribution coexists of the three typical mineral assemblages: olivine; olivine+orthopyroxene; and orthopyroxene. Copyright © 2011 Elsevier B.V. All rights reserved.

  11. Micro-Raman spectroscopy of chromosomes

    NARCIS (Netherlands)

    de Mul, F.F.M.; van Welle, A.G.M.; Otto, Cornelis; Greve, Jan

    1984-01-01

    Raman spectra of intact chromosomes (Chinese hamster), recorded with a microspectrometer, are reported. The spectra could be assigned to protein and DNA contributions. Protein and DNA conformations and the ratio of base pairs in DNA were determined.

  12. Energy dissipation by a longitudinal Raman process

    International Nuclear Information System (INIS)

    Fano, U.; Inokuti, Mitio

    1994-01-01

    The concept of a longitudinal Raman process is introduced to encompass the indirect transmission of energy from slow electrons to nuclei through the reversible polarization of surrounding electrons. Experimental approaches are sought to assess this process quantitatively

  13. Stimulated Raman scattering: old physics, new applications.

    Science.gov (United States)

    Yakovlev, Vladislav V; Petrov, Georgi I; Zhang, Hao F; Noojin, Gary D; Denton, Michael L; Thomas, Robert J; Scully, Marlan O

    2009-10-01

    Stimulated Raman scattering as a promising way of expanding the tunability of ultrafast lasers and as an exciting new biomedical imaging modality capable of selective excitation and chemically-specific diagnostics of molecular species.

  14. Normal Raman and SERS spectroscopy of the vitamin E

    International Nuclear Information System (INIS)

    Cai Tiantian; Gu Huaimin; Yuan Xiaojuan; Liu Fangfang

    2011-01-01

    In this study, surface-enhanced Raman scattering(SERS)spectra of vitamin E were obtained on colloidal silver(Ag). Alpha-(-) tocopherol which is the only form that is recognized to meet human requirements was selected to study. The analytes (±)- -tocopherol were dissolved in chloroform (CHCl 3 ) and the silver colloid was poured into the compound. Silver colloid was reduced by hydroxylamine hydrochloride. The analytes were the supernatant after standing the mixture for the reason that chloroform have no signals in surface-enhanced Raman scattering in the Ag colloid, and it would not affect the determination of the (±)- -tocopherol. The Normal Raman and SERS spectrum of Vitamin E were contrastively studied to realize how the vitamin E stuck to the silver nanoparticles. The results show the fat-soluble substances can be analysed by SERS. The spectra indicate that the molecules are adsorbed on the surface through the COO- groups by the simultaneous involvement of a and -type coordination. These results suggest some important criteria for consideration in SERS measurements and also provide important insights into the problem of predicting SERS activities for different fat-soluble substances.

  15. Normal Raman and SERS spectroscopy of the vitamin E

    Energy Technology Data Exchange (ETDEWEB)

    Cai Tiantian; Gu Huaimin; Yuan Xiaojuan; Liu Fangfang, E-mail: guhm@scnu.edu.cn [MOE Key Laboratory of Laser Life Science, College of Biophotonics, South China Normal University, 510631, Guangzhou (China)

    2011-01-01

    In this study, surface-enhanced Raman scattering(SERS)spectra of vitamin E were obtained on colloidal silver(Ag). Alpha-(-) tocopherol which is the only form that is recognized to meet human requirements was selected to study. The analytes ({+-})- -tocopherol were dissolved in chloroform (CHCl{sub 3}) and the silver colloid was poured into the compound. Silver colloid was reduced by hydroxylamine hydrochloride. The analytes were the supernatant after standing the mixture for the reason that chloroform have no signals in surface-enhanced Raman scattering in the Ag colloid, and it would not affect the determination of the ({+-})- -tocopherol. The Normal Raman and SERS spectrum of Vitamin E were contrastively studied to realize how the vitamin E stuck to the silver nanoparticles. The results show the fat-soluble substances can be analysed by SERS. The spectra indicate that the molecules are adsorbed on the surface through the COO- groups by the simultaneous involvement of a and -type coordination. These results suggest some important criteria for consideration in SERS measurements and also provide important insights into the problem of predicting SERS activities for different fat-soluble substances.

  16. Searching for brine on Mars using Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, E.

    2016-07-01

    In the last few years, water ice and perchlorate salts capable of melting this ice and producing liquid solutions have been discovered at the surface and shallow subsurface of Mars. In addition to via melting of ice, perchlorate salts may also form liquid solutions by absorbing water vapor when the relative humidity is above a certain threshold in a process known as deliquescence. Formed either by melting or deliquescence, liquid solutions (brine) are the most likely way of liquid water activity on the Martian surface and in the shallow subsurface and are therefore important to understand the habitability of Mars. Using Raman spectroscopy, we provide reference spectra of various mixing states of liquid water, water ice and calcium perchlorate, all of which can occur during brine formation. We focus on the perchlorate symmetric stretching band and the O-H stretching vibrational band to distinguish brine from crystalline salt and water ice. We show that perchlorate brines can be identified by analyzing the peaks and their widths in the decomposed Raman spectra of the investigated samples. This serves as an important reference for future in-situ Raman spectrometers on Mars, such as those on the ExoMars and Mars 2020 rovers and can aid in the detection of brine formation on Mars. (Author)

  17. Raman spectroscopic study of uranyl complex in alkali chloride melts

    International Nuclear Information System (INIS)

    Fujii, Toshiyuki; Uda, Takeshi; Iwadate, Yasuhiko; Nagai, Takayuki; Uehara, Akihiro; Yamana, Hajimu

    2013-01-01

    Raman spectra of alkali chloride melts containing 3 mol% U(VI) were measured at 823 K. The complexation of UO 2 Cl 4 2- in binary mixtures of LiCl-KCl, LiCl-RbCl, and LiCl-CsCl was investigated. The spectrum of UO 2 Cl 4 2- obtained was characterized by Raman active vibration modes, that is, totally symmetric stretching vibrations A 1g (ν 1 : OUO) and A 1g (ν 2 : UCl 4 ), and bending vibration E g (ν 8: UO 2 Cl 2 ). The dependence of polarizing power of solvent cations on the vibrational frequencies was clarified. The ν 8 frequencies were insensitive to the change in the polarizing power. On the other hand, the ν 1 and ν 2 frequencies increased with the rise of polarizing power. The Raman shifts suggest that the square bipyramidal structure of UO 2 Cl 4 2- is kept in various binary alkali chlorides, while O 2− and Cl − around U(VI) are clearly polarized by the increase of polarizing power

  18. Raman study of supported molybdenum disulfide single layers

    Science.gov (United States)

    Durrer, William; Manciu, Felicia; Afanasiev, Pavel; Berhault, Gilles; Chianelli, Russell

    2008-10-01

    Owing to the increasing demand for clean transportation fuels, highly dispersed single layer transition metal sulfides such as MoS2-based catalysts play an important role in catalytic processes for upgrading and removing sulfur from heavy petroleum feed. In its crystalline bulk form, MoS2 is chemically rather inactive due to a strong tendency to form highly stacked layers, but, when dispersed as single-layer nanoclusters on a support, the MoS2 becomes catalytically active in the hydrogenolysis of sulphur and nitrogen from organic compounds (hydrotreating catalysis). In the present studies alumina-supported MoS2 samples were analyzed by confocal Raman spectroscopy. Evidence of peaks at 152 cm-1, 234 cm-1, and 336 cm-1, normally not seen in the Raman spectrum of the standard bulk crystal, confirms the formation of single layers of MoS2. Furthermore, the presence of the 383 cm-1 Raman line suggests the trigonal prismatic coordination of the formed MoS2 single layers. Depending on the sample preparation method, a restacking of MoS2 layers is also observed, mainly for ex-thiomolybdate samples sulfided at 550 C.

  19. Raman assisted lightwave synthesized frequency sweeper

    DEFF Research Database (Denmark)

    Pedersen, Anders Tegtmeier; Rottwitt, Karsten

    2010-01-01

    We present a Lightwave Synthesized Frequency Sweeper comprising a Raman amplifier for loss compensation. The generated pulse train contains 123 pulses and has a flat signal level as well as a low noise level.......We present a Lightwave Synthesized Frequency Sweeper comprising a Raman amplifier for loss compensation. The generated pulse train contains 123 pulses and has a flat signal level as well as a low noise level....

  20. PM Raman fiber laser at 1679 nm

    DEFF Research Database (Denmark)

    Svane, Ask Sebastian; Rottwitt, Karsten

    2012-01-01

    We demonstrate a PM Raman fiber laser emitting light at 1679 nm. The laser has an slope efficiency of 67 % and an output power of more than 275mWwith a 27 pm linewidth.......We demonstrate a PM Raman fiber laser emitting light at 1679 nm. The laser has an slope efficiency of 67 % and an output power of more than 275mWwith a 27 pm linewidth....

  1. THE DISCOVERY OF RAMAN SCATTERING IN H II REGIONS

    Energy Technology Data Exchange (ETDEWEB)

    Dopita, Michael A.; Nicholls, David C.; Sutherland, Ralph S.; Kewley, Lisa J.; Groves, Brent A., E-mail: Michael.Dopita@anu.edu.au [Research School of Astronomy and Astrophysics, Australian National University, Canberra, ACT 2611 (Australia)

    2016-06-10

    We report here on the discovery of faint extended wings of H α observed out to an apparent velocity of ∼7600 km s{sup −1} in the Orion Nebula (M42) and in five H ii regions in the Large and the Small Magellanic Clouds. We show that these wings are caused by Raman scattering of both the O i and Si ii resonance lines and stellar continuum UV photons with H i followed by radiative decay to the H i n = 2 level. The broad wings also seen in H β and in H γ result from Raman scattering of the UV continuum in the H i n = 4 and n = 5 levels, respectively. The Raman scattering fluorescence is correlated with the intensity of the narrow permitted lines of O i and Si ii. In the case of Si ii, this is explained by radiative pumping of the same 1023.7 Å resonance line involved in the Raman scattering by the Ly β radiation field. The subsequent radiative cascade produces enhanced Si ii λλ 5978.9, 6347.1, and 6371.4 Å permitted transitions. Finally, we show that in O i, radiative pumping of the 1025.76 Å resonance line by the Lyman series radiation field is also the cause of the enhancement in the permitted lines of this species lying near H α in wavelength, but here the process is a little more complex. We argue that all these processes are active in the zone of the H ii region near the ionization front.

  2. Plasmonic Colloidal Nanoantennas for Tip-Enhanced Raman Spectrocopy

    Science.gov (United States)

    Dill, Tyler J.

    Plasmonic nanoantennas that a support localized surface plasmon resonance (LSPR) are capable of confining visible light to subwavelength dimensions due to strong electromagnetic field enhancement at the probe tip. Nanoantenna enable optical methods such as tip-enhanced Raman spectroscopy (TERS), a technique that uses scanning probe microscopy tips to provide chemical information with nanoscale spatial resolution and single-molecule sensitivities. The LSPR supported by the probe tip is extremely sensitive to the nanoscale morphology of the nanoantenna. Control of nanoscale morphology is notoriously difficult to achieve, resulting in TERS probes with poor reproducibility. In my thesis, I demonstrate high-performance, predictable, and broadband nanospectroscopy probes that are fabricated by self-assembly. Shaped metal nanoparticles are organized into dense layers and deposited onto scanning probe tips. When coupled to a metal substrate, these probes support a strong optical resonance in the gap between the substrate and the probe, producing dramatic field enhancements. I show through experiment and electromagnetic modeling that close-packed but electrically isolated nanoparticles are electromagnetically coupled. Hybridized LSPRs supported by self-assembled nanoparticles with a broadband optical response, giving colloidal nanoantenna a high tolerance for geometric variation resulting from fabrication. I find that coupled nanoparticles act as a waveguide, transferring energy from many neighboring nanoparticles towards the active TERS apex. I also use surface-enhanced Raman spectroscopy (SERS) to characterize the effects of nanoparticle polydispersity and gap height on the Raman enhancement. These colloidal probes have consistently achieved dramatic Raman enhancements in the range of 108-109 with sub-50 nm spatial resolution. Furthermore, in contrast to other nanospectroscopy probes, these colloidal probes can be fabricated in a scalable fashion with a batch

  3. Investigation of germanium implanted with aluminum by multi-laser micro-Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sanson, A., E-mail: andrea.sanson@unipd.it [Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy); Napolitani, E. [MATIS IMM-CNR at Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy); Impellizzeri, G. [MATIS IMM-CNR and Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia 64, I-95123 Catania (Italy); Giarola, M. [Dipartimento di Informatica, Università di Verona, Strada le Grazie 15, I-37134 Verona (Italy); De Salvador, D. [Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy); Privitera, V.; Priolo, F. [MATIS IMM-CNR and Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia 64, I-95123 Catania (Italy); Mariotto, G. [Dipartimento di Informatica, Università di Verona, Strada le Grazie 15, I-37134 Verona (Italy); Carnera, A. [Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy)

    2013-08-31

    Germanium samples, implanted with aluminum and annealed, have been investigated by micro-Raman spectroscopy using different excitation lines with the aim of gaining insights about the Al distribution at different depths beneath the sample surface and to correlate the Raman spectra with the electrical and chemical profiles, obtained by Spreading Resistance Profiling (SRP) and Secondary Ions Mass Spectrometry (SIMS) measurements, respectively. The intensity of the Al–Ge Raman peak at about 370 cm{sup −1}, due to the local vibrational mode of the substitutional Al atoms in the Ge matrix, has been directly related to the SRP behavior, while no correlation has been observed with SIMS profiles. These findings show that the electrically active content is entirely due to the substitutional Al atoms. Finally, a clear down shift is observed for the Ge–Ge Raman peak at ∼ 300 cm{sup −1}, which also seems to be directly related to the active content of Al dopant atoms. This work shows that micro-Raman spectroscopy can be a suitable tool for the study of doping profiles in Ge. - Highlights: ► Al-implanted Ge and annealed were studied by micro-Raman spectroscopy. ► Using different laser lines we have investigated the implants at different depths. ► The Al–Ge Raman peak at about 370 cm{sup −1} is directly related to the SRP behavior. ► The electrically active content is entirely due to the substitutional Al atoms. ► Carrier effects are observed on the Ge–Ge peak at ∼ 300 cm{sup −1}.

  4. Investigation of germanium implanted with aluminum by multi-laser micro-Raman spectroscopy

    International Nuclear Information System (INIS)

    Sanson, A.; Napolitani, E.; Impellizzeri, G.; Giarola, M.; De Salvador, D.; Privitera, V.; Priolo, F.; Mariotto, G.; Carnera, A.

    2013-01-01

    Germanium samples, implanted with aluminum and annealed, have been investigated by micro-Raman spectroscopy using different excitation lines with the aim of gaining insights about the Al distribution at different depths beneath the sample surface and to correlate the Raman spectra with the electrical and chemical profiles, obtained by Spreading Resistance Profiling (SRP) and Secondary Ions Mass Spectrometry (SIMS) measurements, respectively. The intensity of the Al–Ge Raman peak at about 370 cm −1 , due to the local vibrational mode of the substitutional Al atoms in the Ge matrix, has been directly related to the SRP behavior, while no correlation has been observed with SIMS profiles. These findings show that the electrically active content is entirely due to the substitutional Al atoms. Finally, a clear down shift is observed for the Ge–Ge Raman peak at ∼ 300 cm −1 , which also seems to be directly related to the active content of Al dopant atoms. This work shows that micro-Raman spectroscopy can be a suitable tool for the study of doping profiles in Ge. - Highlights: ► Al-implanted Ge and annealed were studied by micro-Raman spectroscopy. ► Using different laser lines we have investigated the implants at different depths. ► The Al–Ge Raman peak at about 370 cm −1 is directly related to the SRP behavior. ► The electrically active content is entirely due to the substitutional Al atoms. ► Carrier effects are observed on the Ge–Ge peak at ∼ 300 cm −1

  5. Citrus fruits freshness assessment using Raman spectroscopy.

    Science.gov (United States)

    Nekvapil, Fran; Brezestean, Ioana; Barchewitz, Daniel; Glamuzina, Branko; Chiş, Vasile; Cintă Pinzaru, Simona

    2018-03-01

    The freshness of citrus fruits commonly available in the market was non-destructively assessed by Raman spectroscopy. Intact clementine, mandarin and tangerine species were characterised concerning their carotenoids skin Raman signalling in a time course from the moment they were acquired as fresh stock, supplying the market, to the physical degradation, when they were no longer attractive to consumers. The freshness was found to strongly correlate to the peel Raman signal collected from the same area of the intact fruits in a time course of a maximum of 20days. We have shown that the intensity of the carotenoid Raman signal is indeed a good indicator of fruit freshness and introduced a Raman coefficient of freshness (C Fresh ), whose time course is linearly decreasing, with different slope for different citrus groups. Additionally, we demonstrated that the freshness assessment could be achieved using a portable Raman instrument. The results could have a strong impact for consumer satisfaction and the food industry. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. In situ Raman mapping of art objects

    Science.gov (United States)

    Brondeel, Ph.; Moens, L.; Vandenabeele, P.

    2016-01-01

    Raman spectroscopy has grown to be one of the techniques of interest for the investigation of art objects. The approach has several advantageous properties, and the non-destructive character of the technique allowed it to be used for in situ investigations. However, compared with laboratory approaches, it would be useful to take advantage of the small spectral footprint of the technique, and use Raman spectroscopy to study the spatial distribution of different compounds. In this work, an in situ Raman mapping system is developed to be able to relate chemical information with its spatial distribution. Challenges for the development are discussed, including the need for stable positioning and proper data treatment. To avoid focusing problems, nineteenth century porcelain cards are used to test the system. This work focuses mainly on the post-processing of the large dataset which consists of four steps: (i) importing the data into the software; (ii) visualization of the dataset; (iii) extraction of the variables; and (iv) creation of a Raman image. It is shown that despite the challenging task of the development of the full in situ Raman mapping system, the first steps are very promising. This article is part of the themed issue ‘Raman spectroscopy in art and archaeology’. PMID:27799424

  7. Visualizing cell state transition using Raman spectroscopy.

    Directory of Open Access Journals (Sweden)

    Taro Ichimura

    Full Text Available System level understanding of the cell requires detailed description of the cell state, which is often characterized by the expression levels of proteins. However, understanding the cell state requires comprehensive information of the cell, which is usually obtained from a large number of cells and their disruption. In this study, we used Raman spectroscopy, which can report changes in the cell state without introducing any label, as a non-invasive method with single cell capability. Significant differences in Raman spectra were observed at the levels of both the cytosol and nucleus in different cell-lines from mouse, indicating that Raman spectra reflect differences in the cell state. Difference in cell state was observed before and after the induction of differentiation in neuroblastoma and adipocytes, showing that Raman spectra can detect subtle changes in the cell state. Cell state transitions during embryonic stem cell (ESC differentiation were visualized when Raman spectroscopy was coupled with principal component analysis (PCA, which showed gradual transition in the cell states during differentiation. Detailed analysis showed that the diversity between cells are large in undifferentiated ESC and in mesenchymal stem cells compared with terminally differentiated cells, implying that the cell state in stem cells stochastically fluctuates during the self-renewal process. The present study strongly indicates that Raman spectral morphology, in combination with PCA, can be used to establish cells' fingerprints, which can be useful for distinguishing and identifying different cellular states.

  8. Prospects for in vivo Raman spectroscopy

    International Nuclear Information System (INIS)

    Hanlon, E.B.; Manoharan, R.; Koo, T.-W.; Shafer, K.E.; Motz, J.T.; Fitzmaurice, M.; Kramer, J.R.; Itzkan, I.; Dasari, R.R.; Feld, M.S.

    2000-01-01

    Raman spectroscopy is a potentially important clinical tool for real-time diagnosis of disease and in situ evaluation of living tissue. The purpose of this article is to review the biological and physical basis of Raman spectroscopy of tissue, to assess the current status of the field and to explore future directions. The principles of Raman spectroscopy and the molecular level information it provides are explained. An overview of the evolution of Raman spectroscopic techniques in biology and medicine, from early investigations using visible laser excitation to present-day technology based on near-infrared laser excitation and charge-coupled device array detection, is presented. State-of-the-art Raman spectrometer systems for research laboratory and clinical settings are described. Modern methods of multivariate spectral analysis for extracting diagnostic, chemical and morphological information are reviewed. Several in-depth applications are presented to illustrate the methods of collecting, processing and analysing data, as well as the range of medical applications under study. Finally, the issues to be addressed in implementing Raman spectroscopy in various clinical applications, as well as some long-term directions for future study, are discussed. (author)

  9. N/S/B-doped graphitized carbon encased Fe species as a highly active and durable catalyst towards oxygen reduction reaction.

    Science.gov (United States)

    Li, Guang-Lan; Cheng, Guang-Chun; Chen, Wen-Wen; Liu, Cai-Di; Yuan, Li-Fang; Yang, Bei-Bei; Hao, Ce

    2018-03-15

    Exploring cost-effective, high-performance and durable non-precious metal catalysts is of great significance for the acceleration of sluggish oxygen reduction reaction (ORR). Here, we report an intriguing heteroatom-doped graphitized carbon encased Fe species composite by introducing N, S and B sequentially. The experimental approach was designed ingeniously for that the FeCl 3 ·6H 2 O could catalyze thiourea to synthesize N, S co-doped carbon materials which would further react with H 3 BO 3 and NH 3 (emerged at the heat-treatment process) to prepare N, S and B co-doped carbon materials (Fe-N/S/B-C). The Fe-N/S/B-C exhibits an impressive ORR activity for its half-wave potential of -0.1 V, which is 36 mV or 19 mV higher than that of the corresponding single or dual doped counterparts (Fe-N-C or Fe-N/S-C) and 31 mV positive than that of Pt/C catalyst, respectively. Further chronoamperometric measurement and accelerated aging test confirm the excellent electrochemical durability of Fe-N/S/B-C with the stable core-shell structure. The remarkable ORR performance and facile preparation method enable Fe-N/S/B-C as a potential candidate in electrochemical energy devices. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Four-wave-mixing and nonlinear cavity dumping of 280 picosecond 2nd Stokes pulse at 1.3 μm from Nd:SrMoO4 self-Raman laser

    International Nuclear Information System (INIS)

    Smetanin, S N; Ivleva, L I; Jelínek, M Jr; Kubeček, V; Jelínková, H; Shurygin, A S

    2016-01-01

    The 280 picosecond 2nd Stokes Raman pulses at 1.3 μm were generated directly from the miniature diode-pumped Nd:SrMoO 4 self-Raman laser. Using the 90° phase matching insensitive to the angular mismatch, the self-Raman laser allowed for the achievement of the four-wave-mixing generation of the 2nd Stokes Raman pulse directly in the active Nd:SrMoO 4 crystal at stimulated Raman scattering (SRS) self-conversion of the laser radiation. The passive Cr:YAG Q-switching and nonlinear cavity dumping was used without any phase locking device. (letter)

  11. Continuous anti-Stokes Raman laser operation

    International Nuclear Information System (INIS)

    Feitisch, A.; Muller, T.; Welling, H.; Wellegehausen, B.

    1988-01-01

    The anti-Stokes Raman laser (ASRL) process has proved to be a method that works well for frequency upconversion and for the generation of powerful tunable narrowband (pulsed) laser radiation in the UV and VUV spectral range. This conversion process allows large-frequency shifts in single step, high output energies, and high efficiencies. A basic requirement is population inversion on a two-photon transition, where, in general, the upper level of the transition should be metastable. Up to now the ASRL technique has only been demonstrated for the pulsed regime, where the necessary population inversion was generated by photodissociation or inner shell photoionization. These inversion techniques, however, cannot be transferred to cw operation of an ASRL, and, therefore, other inversion techniques have to be developed. Here a novel approach for the creation of the necessary population inversion is proposed, that uses well-known cw gas lasers as the active material for the conversion process. The basic idea is to use either existing two-photon population inversions in a cw laser material or to generate the necessary population inversion by applying a suitable population transfer process to the material. A natural two-photon inversion situation in a laser material is evident whenever a cascade laser can be operated. Cascade laser-based anti-Stokes schemes are possible in a He-Ne laser discharge, and investigations of these schemes are discussed

  12. Potential function of added minerals as nucleation sites and effect of humic substances on mineral formation by the nitrate-reducing Fe(II)-oxidizer Acidovorax sp. BoFeN1.

    Science.gov (United States)

    Dippon, Urs; Pantke, Claudia; Porsch, Katharina; Larese-Casanova, Phil; Kappler, Andreas

    2012-06-19

    The mobility of toxic metals and the transformation of organic pollutants in the environment are influenced and in many cases even controlled by iron minerals. Therefore knowing the factors influencing iron mineral formation and transformation by Fe(II)-oxidizing and Fe(III)-reducing bacteria is crucial for understanding the fate of contaminants and for the development of remediation technologies. In this study we followed mineral formation by the nitrate-reducing Fe(II)-oxidizing strain Acidovorax sp. BoFeN1 in the presence of the crystalline Fe(III) (oxyhydr)oxides goethite, magnetite and hematite added as potential nucleation sites. Mössbauer spectroscopy analysis of minerals precipitated by BoFeN1 in (57)Fe(II)-spiked microbial growth medium showed that goethite was formed in the absence of mineral additions as well as in the presence of goethite or hematite. The presence of magnetite minerals during Fe(II) oxidation induced the formation of magnetite in addition to goethite, while the addition of humic substances along with magnetite also led to goethite but no magnetite. This study showed that mineral formation not only depends on the aqueous geochemical conditions but can also be affected by the presence of mineral nucleation sites that initiate precipitation of the same underlying mineral phases.

  13. Effect of Laser Irradiation on Cell Function and Its Implications in Raman Spectroscopy.

    Science.gov (United States)

    Yuan, Xiaofei; Song, Yanqing; Song, Yizhi; Xu, Jiabao; Wu, Yinhu; Glidle, Andrew; Cusack, Maggie; Ijaz, Umer Z; Cooper, Jonathan M; Huang, Wei E; Yin, Huabing

    2018-04-15

    Lasers are instrumental in advanced bioimaging and Raman spectroscopy. However, they are also well known for their destructive effects on living organisms, leading to concerns about the adverse effects of laser technologies. To implement Raman spectroscopy for cell analysis and manipulation, such as Raman-activated cell sorting, it is crucial to identify nondestructive conditions for living cells. Here, we evaluated quantitatively the effect of 532-nm laser irradiation on bacterial cell fate and growth at the single-cell level. Using a purpose-built microfluidic platform, we were able to quantify the growth characteristics, i.e., specific growth rates and lag times of individual cells, as well as the survival rate of a population in conjunction with Raman spectroscopy. Representative Gram-negative and Gram-positive species show similar trends in response to a laser irradiation dose. Laser irradiation could compromise the physiological function of cells, and the degree of destruction is both dose and strain dependent, ranging from reduced cell growth to a complete loss of cell metabolic activity and finally to physical disintegration. Gram-positive bacterial cells are more susceptible than Gram-negative bacterial strains to irradiation-induced damage. By directly correlating Raman acquisition with single-cell growth characteristics, we provide evidence of nondestructive characteristics of Raman spectroscopy on individual bacterial cells. However, while strong Raman signals can be obtained without causing cell death, the variety of responses from different strains and from individual cells justifies careful evaluation of Raman acquisition conditions if cell viability is critical. IMPORTANCE In Raman spectroscopy, the use of powerful monochromatic light in laser-based systems facilitates the detection of inherently weak signals. This allows environmentally and clinically relevant microorganisms to be measured at the single-cell level. The significance of being able to

  14. Quantum statistics of stimulated Raman and hyper-Raman scattering by master equation approach

    International Nuclear Information System (INIS)

    Gupta, P.S.; Dash, J.

    1991-01-01

    A quantum theoretical density matrix formalism of stimulated Raman and hyper-Raman scattering using master equation approach is presented. The atomic system is described by two energy levels. The effects of upper level population and the cavity loss are incorporated. The photon statistics, coherence characteristics and the building up of the Stokes field are investigated. (author). 8 figs., 5 refs

  15. Application of Raman Microspectroscopic and Raman imaging techniques for cell biological studies

    NARCIS (Netherlands)

    Puppels, G.J.; Puppels, G.J.; Bakker schut, T.C.; Bakker Schut, T.C.; Sijtsema, N.M.; Grond, M.; Grond, M.; Maraboeuf, F.; de Grauw, C.J.; de Grauw, C.J.; Figdor, Carl; Greve, Jan

    1995-01-01

    Raman spectroscopy is being used to study biological molecules for some three decades now. Thanks to continuing advances in instrumentation more and more applications have become feasible in which molecules are studied in situ, and this has enabled Raman spectroscopy to enter the realms of

  16. Integration of Correlative Raman microscopy in a dual beam FIB-SEM J. of Raman Spectroscopy

    NARCIS (Netherlands)

    Timmermans, Frank Jan; Liszka, B.; Lenferink, Aufrid T.M.; van Wolferen, Hendricus A.G.M.; Otto, Cornelis

    2016-01-01

    We present an integrated confocal Raman microscope in a focused ion beam scanning electron microscope (FIB SEM). The integrated system enables correlative Raman and electron microscopic analysis combined with focused ion beam sample modification on the same sample location. This provides new

  17. Development and Application of Raman Microspectroscopic and Raman Imaging Techniques for Cell Biological Studies

    NARCIS (Netherlands)

    PUPPELS, G J; SCHUT, T C B; SIJTSEMA, N M; GROND, M; MARABOEUF, F; DEGRAUW, C G; FIGDOR, C G; GREVE, J

    1995-01-01

    Raman spectroscopy is being used to study biological molecules for some three decades now. Thanks to continuing advances in instrumentation more and more applications have become feasible in which molecules are studied in situ, and this has enabled Raman spectroscopy to enter the realms of

  18. Characterization and Discrimination of Gram-Positive Bacteria Using Raman Spectroscopy with the Aid of Principal Component Analysis

    Directory of Open Access Journals (Sweden)

    Alia Colniță

    2017-09-01

    Full Text Available Raman scattering and its particular effect, surface-enhanced Raman scattering (SERS, are whole-organism fingerprinting spectroscopic techniques that gain more and more popularity in bacterial detection. In this work, two relevant Gram-positive bacteria species, Lactobacillus casei (L. casei and Listeria monocytogenes (L. monocytogenes were characterized based on their Raman and SERS spectral fingerprints. The SERS spectra were used to identify the biochemical structures of the bacterial cell wall. Two synthesis methods of the SERS-active nanomaterials were used and the recorded spectra were analyzed. L. casei and L. monocytogenes were successfully discriminated by applying Principal Component Analysis (PCA to their specific spectral data.

  19. Broadband stimulated Raman spectroscopy in the deep ultraviolet region

    Science.gov (United States)

    Kuramochi, Hikaru; Fujisawa, Tomotsumi; Takeuchi, Satoshi; Tahara, Tahei

    2017-09-01

    We report broadband stimulated Raman measurements in the deep ultraviolet (DUV) region, which enables selective probing of the aromatic amino acid residues inside proteins through the resonance enhancement. We combine the narrowband DUV Raman pump pulse (1000 cm-1) to realize stimulated Raman measurements covering a >1500 cm-1 spectral window. The stimulated Raman measurements for neat solvents, tryptophan, tyrosine, and glucose oxidase are performed using 240- and 290-nm Raman pump, highlighting the high potential of the DUV stimulated Raman probe for femtosecond time-resolved study of proteins.

  20. Raman spectroscopy as a PAT for pharmaceutical blending: Advantages and disadvantages.

    Science.gov (United States)

    Riolo, Daniela; Piazza, Alessandro; Cottini, Ciro; Serafini, Margherita; Lutero, Emilio; Cuoghi, Erika; Gasparini, Lorena; Botturi, Debora; Marino, Iari Gabriel; Aliatis, Irene; Bersani, Danilo; Lottici, Pier Paolo

    2018-02-05

    Raman spectroscopy has been positively evaluated as a tool for the in-line and real-time monitoring of powder blending processes and it has been proved to be effective in the determination of the endpoint of the mixing, showing its potential role as process analytical technology (PAT). The aim of this study is to show advantages and disadvantages of Raman spectroscopy with respect to the most traditional HPLC analysis. The spectroscopic results, obtained directly on raw powders, sampled from a two-axis blender in real case conditions, were compared with the chromatographic data obtained on the same samples. The formulation blend used for the experiment consists of active pharmaceutical ingredient (API, concentrations 6.0% and 0.5%), lactose and magnesium stearate (as excipients). The first step of the monitoring process was selecting the appropriate wavenumber region where the Raman signal of API is maximal and interference from the spectral features of excipients is minimal. Blend profiles were created by plotting the area ratios of the Raman peak of API (A API ) at 1598cm -1 and the Raman bands of excipients (A EXC ), in the spectral range between 1560 and 1630cm -1 , as a function of mixing time: the API content can be considered homogeneous when the time-dependent dispersion of the area ratio is minimized. In order to achieve a representative sampling with Raman spectroscopy, each sample was mapped in a motorized XY stage by a defocused laser beam of a micro-Raman apparatus. Good correlation between the two techniques has been found only for the composition at 6.0% (w/w). However, standard deviation analysis, applied to both HPLC and Raman data, showed that Raman results are more substantial than HPLC ones, since Raman spectroscopy enables generating data rich blend profiles. In addition, the relative standard deviation calculated from a single map (30 points) turned out to be representative of the degree of homogeneity for that blend time. Copyright © 2017

  1. One-process fabrication of metal hierarchical nanostructures with rich nanogaps for highly-sensitive surface-enhanced Raman scattering

    International Nuclear Information System (INIS)

    Liu, Gui-qiang; Yu, Mei-dong; Liu, Zheng-qi; Liu, Xiao-shan; Huang, Shan; Pan, Ping-ping; Wang, Yan; Liu, Mu-lin; Gu, Gang

    2015-01-01

    One-process fabrication of highly active and reproducible surface-enhanced Raman scattering (SERS) substrates via ion beam deposition is reported. The fabricated metal–dielectric–metal (MDM) hierarchical nanostructure possesses rich nanogaps and a tunable resonant cavity. Raman scattering signals of analytes are dramatically strengthened due to the strong near-field coupling of localized surface plasmon resonances (LSPRs) and the strong interaction of LSPRs of metal NPs with surface plasmon polaritons (SPPs) on the underlying metal film by crossing over the dielectric spacer. The maximum Raman enhancement for the highest Raman peak at 1650 cm −1 is 13.5 times greater than that of a single metal nanoparticle (NP) array. Moreover, the SERS activity can be efficiently tailored by varying the size and number of voids between adjacent metal NPs and the thickness of the dielectric spacer. These findings may broaden the scope of SERS applications of MDM hierarchical nanostructures in biomedical and analytical chemistry. (paper)

  2. Optical Sensors based on Raman Effects

    DEFF Research Database (Denmark)

    Jernshøj, Kit Drescher

    Formålet med denne afhandling er at give en systematisk og uddybende videnskabelig diskussion af molekylær Raman spredning, som kan danne grundlag for udviklingen af molekylespecifikke optiske sensorer til on-site, ikke-destruktiv måling. Afhandlingen falder i tre dele, to teoriafsnit, hvor første...... del omhandler den tilgangelige molekylære information ved overfladeforstærket resonans Raman spredning (SERRS), samt hvordan adgangen til denne information kan optimeres. Anden del omhandler, hvordan det molekylære informationsindhold kan forøges ved at kombinere polariserede Raman og resonans Raman...... målinger på frie molekyler med multivariat analyse. I tredje og sidste del, som er et eksperimentelt afsnit, præsenteres og diskuteres overfladeforstærkede Raman målinger (SERS) på tre udvalgte pesticider. Afhandlingen indledes med en diskussion af teorien bag SERRS med speciel fokus på den molekylære...

  3. Polarization Sensitive Coherent Raman Measurements of DCVJ

    Science.gov (United States)

    Anderson, Josiah; Cooper, Nathan; Lawhead, Carlos; Shiver, Tegan; Ujj, Laszlo

    2014-03-01

    Coherent Raman spectroscopy which recently developed into coherent Raman microscopy has been used to produce label free imaging of thin layers of material and find the spatial distributions of certain chemicals within samples, e.g. cancer cells.(1) Not all aspects of coherent scattering have been used for imaging. Among those for example are special polarization sensitive measurements. Therefore we have investigated the properties of polarization sensitive CARS spectra of a highly fluorescent molecule, DCVJ.(2) Spectra has been recorded by using parallel polarized and perpendicular polarized excitations. A special polarization arrangement was developed to suppress the non-resonant background scattering from the sample. These results can be used to improve the imaging properties of a coherent Raman microscope in the future. This is the first time coherent Raman polarization sensitive measurements have been used to characterize the vibrational modes of DCVJ. 1: K. I. Gutkowski, et al., ``Fluorescence of dicyanovinyl julolidine in a room temperature ionic liquid '' Chemical Physics Letters 426 (2006) 329 - 333 2: Fouad El-Diasty, ``Coherent anti-Stokes Raman scattering: Spectroscopy and microscopy'' Vibrational Spectroscopy 55 (2011) 1-37

  4. Aligned gold nanoneedle arrays for surface-enhanced Raman scattering

    International Nuclear Information System (INIS)

    Yang Yong; Huang Zhengren; Jiang Dongliang; Tanemura, Masaki; Yamaguchi, Kohei; Li Zhiyuan; Huang Yingping; Kawamura, Go; Nogami, Masayuki

    2010-01-01

    A simple Ar + -ion irradiation route has been developed to prepare gold nanoneedle arrays on glass substrates for surface-enhanced Raman scattering (SERS)-active substrates. The nanoneedles exhibited very sharp tips with an apex diameter of 20 nm. These arrays were evaluated as potential SERS substrates using malachite green molecules and exhibited a SERS enhancement factor of greater than 10 8 , which is attributed to the localized electron field enhancement around the apex of the needle and the surface plasmon coupling originating from the periodic structure. This work demonstrates a new technique for producing controllable and reproducible SERS substrates potentially applicable for chemical and biological assays.

  5. Two dimensional Raman mapping with respect to carbon bonds of radiochromic films: An approach to micro-dosimetry

    International Nuclear Information System (INIS)

    Heo, Taemin; Park, Hyeonsuk; Ye, Sung-Joon

    2015-01-01

    Raman spectroscopy usually provides fingerprints of chemical component species and molecular motion. Raman peak intensity can be quantified as dose changes. Using that Raman peak intensity is proportional to the electric field intensity of incidence beam and the concentration of compounds, the dose trend would have the linearity with the concentration change of radio-active compounds. Raman spectroscopy has been applied to be utilized as a dosimetry in our group in the previous study. Then, laser effect and film homogeneity issues were required to be overcome. Two dimensional scan method was adapted to reduce measurement uncertainty since Raman cross-section is very sensitive to atomic bonds concentration and a large number of point measurements would guarantee reliable data group. The concentration in carbon double and triple bonds of radiochromic films would change by polymerization process. Thus, two dimensional analysis based on Raman mapping provides more reliable data in light of polymerization quantity due to radiation ionization than optical scanning. Its high spatial resolution (fifty micrometers) and low dose sensitivity (10 cGy) were demonstrated as a potential dosimeter. Raman analysis is expected as more precise analysis for micro-dosimetry in the future

  6. Ultraviolet Resonant Raman Enhancements in the Detection of Explosives

    Energy Technology Data Exchange (ETDEWEB)

    Short Jr., Billy Joe [Naval Postgraduate School, Monterey, CA (United States)

    2009-06-01

    Raman-based spectroscopy is potentially militarily useful for standoff detection of high explosives. Normal (non-resonance) and resonance Raman spectroscopies are both light scattering techniques that use a laser to measure the vibrational spectrum of a sample. In resonance Raman, the laser is tuned to match the wavelength of a strong electronic absorbance in the molecule of interest, whereas, in normal Raman the laser is not tuned to any strong electronic absorbance bands. The selection of appropriate excitation wavelengths in resonance Raman can result in a dramatic increase in the Raman scattering efficiency of select band(s) associated with the electronic transition. Other than the excitation wavelength, however, resonance Raman is performed experimentally the same as normal Raman. In these studies, normal and resonance Raman spectral signatures of select solid high explosive (HE) samples and explosive precursors were collected at 785 nm, 244 nm and 229 nm. Solutions of PETN, TNT, and explosive precursors (DNT & PNT) in acetonitrile solvent as an internal Raman standard were quantitatively evaluated using ultraviolet resonance Raman (UVRR) microscopy and normal Raman spectroscopy as a function of power and select excitation wavelengths. Use of an internal standard allowed resonance enhancements to be estimated at 229 nm and 244 nm. Investigations demonstrated that UVRR provided ~2000-fold enhancement at 244 nm and ~800-fold improvement at 229 nm while PETN showed a maximum of ~25-fold at 244 nm and ~190-fold enhancement at 229 nm solely from resonance effects when compared to normal Raman measurements. In addition to the observed resonance enhancements, additional Raman signal enhancements are obtained with ultraviolet excitation (i.e., Raman scattering scales as !4 for measurements based on scattered photons). A model, based partly on the resonance Raman enhancement results for HE solutions, is presented for estimating Raman enhancements for solid HE samples.

  7. Characterization of Kevlar Using Raman Spectroscopy

    Science.gov (United States)

    Washer, Glenn; Brooks, Thomas; Saulsberry, Regor

    2007-01-01

    This paper explores the characterization of Kevlar composite materials using Raman spectroscopy. The goal of the research is to develop and understand the Raman spectrum of Kevlar materials to provide a foundation for the development of nondestructive evaluation (NDE) technologies based on the interaction of laser light with the polymer Kevlar. The paper discusses the fundamental aspects of experimental characterization of the spectrum of Kevlar, including the effects of incident wavelength, polarization and laser power. The effects of environmental exposure of Kevlar materials on certain characteristics of its Raman spectrum are explored, as well as the effects of applied stress. This data may provide a foundation for the development of NDE technologies intended to detect the in-situ deterioration of Kevlar materials used for engineering applications that can later be extended to other materials such as carbon fiber composites.

  8. Surface enhanced Raman scattering (SERS) fabrics for trace analysis

    International Nuclear Information System (INIS)

    Liu, Jun; Zhou, Ji; Tang, Bin; Zeng, Tian; Li, Yaling; Li, Jingliang; Ye, Yong; Wang, Xungai

    2016-01-01

    Highlights: • Gold nanoparticles are in-situ synthesized on silk fabrics by heating. • Flexible silk fabrics with gold nanoparticles are used for surface-enhanced Raman scattering (SERS). • SERS activities of silk fabrics with different gold contents are investigated. - Abstract: Flexible SERS active substrates were prepared by modification of silk fabrics with gold nanoparticles. Gold nanoparticles were in-situ synthesized after heating the silk fabrics immersed in gold ion solution. Localized surface plasmon resonance (LSPR) properties of the treated silk fabrics varied as the concentration of gold ions changed, in relation to the morphologies of gold nanoparticles on silk. In addition, X-ray diffraction (XRD) was used to observe the structure of the gold nanoparticle treated silk fabrics. The SERS enhancement effect of the silk fabrics treated with gold nanoparticles was evaluated by collecting Raman signals of different concentrations of p-aminothiophenol (PATP), 4-mercaptopyridine (4-MPy) and crystal violet (CV) solutions. The results demonstrate that the silk fabrics corresponding to 0.3 and 0.4 mM of gold ions possess high SERS activity compared to the other treated fabrics. It is suggested that both the gold content and morphologies of gold nanoparticles dominate the SERS effect of the treated silk fabrics.

  9. Trace drug analysis by surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Farquharson, Stuart; Lee, Vincent Y.

    2000-12-01

    Drug overdose involves more than 10 percent of emergency room (ER) cases, and a method to rapidly identify and quantify the abused drug is critical to the ability of the ER physician to administer the appropriate care. To this end, we have been developing a surface-enhanced Raman (SER) active material capable of detecting target drugs at physiological concentrations in urine. The SER-active material consists of a metal-doped sol-gel that provides not only a million fold increase in sensitivity but also reproducible measurements. The porous silica network offers a unique environment for stabilizing SER active metal particles and the high surface area increase the interaction between the analyte and metal particles. The sol-gel has been coated on the inside walls of glass samples vials, such that urine specimens may simply be introduced for analysis. Here we present the surface-enhanced Raman spectra of a series of barbiturates, actual urine specimens, and a drug 'spiked' urine specimen. The utility of pH adjustment to suppress dominant biochemicals associated with urine is also presented.

  10. Surface enhanced Raman scattering (SERS) fabrics for trace analysis

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jun [National Engineering Laboratory for Advanced Yarn and Fabric Formation and Clean Production, Wuhan Textile University, Wuhan 430073 (China); Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials & Key Laboratory for the Synthesis and Application of Organic Functional Molecules, Ministry of Education & College of Chemistry & Chemical Engineering, Hubei University, Wuhan 430062 (China); Zhou, Ji [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials & Key Laboratory for the Synthesis and Application of Organic Functional Molecules, Ministry of Education & College of Chemistry & Chemical Engineering, Hubei University, Wuhan 430062 (China); Tang, Bin, E-mail: bin.tang@deakin.edu.au [National Engineering Laboratory for Advanced Yarn and Fabric Formation and Clean Production, Wuhan Textile University, Wuhan 430073 (China); Institute for Frontier Materials, Deakin University, Geelong, Victoria 3216 (Australia); Zeng, Tian; Li, Yaling [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials & Key Laboratory for the Synthesis and Application of Organic Functional Molecules, Ministry of Education & College of Chemistry & Chemical Engineering, Hubei University, Wuhan 430062 (China); Li, Jingliang [Institute for Frontier Materials, Deakin University, Geelong, Victoria 3216 (Australia); Ye, Yong, E-mail: yeyong@hubu.edu.cn [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials & Key Laboratory for the Synthesis and Application of Organic Functional Molecules, Ministry of Education & College of Chemistry & Chemical Engineering, Hubei University, Wuhan 430062 (China); Wang, Xungai [National Engineering Laboratory for Advanced Yarn and Fabric Formation and Clean Production, Wuhan Textile University, Wuhan 430073 (China); Institute for Frontier Materials, Deakin University, Geelong, Victoria 3216 (Australia)

    2016-11-15

    Highlights: • Gold nanoparticles are in-situ synthesized on silk fabrics by heating. • Flexible silk fabrics with gold nanoparticles are used for surface-enhanced Raman scattering (SERS). • SERS activities of silk fabrics with different gold contents are investigated. - Abstract: Flexible SERS active substrates were prepared by modification of silk fabrics with gold nanoparticles. Gold nanoparticles were in-situ synthesized after heating the silk fabrics immersed in gold ion solution. Localized surface plasmon resonance (LSPR) properties of the treated silk fabrics varied as the concentration of gold ions changed, in relation to the morphologies of gold nanoparticles on silk. In addition, X-ray diffraction (XRD) was used to observe the structure of the gold nanoparticle treated silk fabrics. The SERS enhancement effect of the silk fabrics treated with gold nanoparticles was evaluated by collecting Raman signals of different concentrations of p-aminothiophenol (PATP), 4-mercaptopyridine (4-MPy) and crystal violet (CV) solutions. The results demonstrate that the silk fabrics corresponding to 0.3 and 0.4 mM of gold ions possess high SERS activity compared to the other treated fabrics. It is suggested that both the gold content and morphologies of gold nanoparticles dominate the SERS effect of the treated silk fabrics.

  11. Raman spectroscopy of synthetic and natural iowaite.

    Science.gov (United States)

    Frost, Ray L; Adebajo, Moses O; Erickson, Kristy L

    2005-02-01

    The chemistry of a magnesium based hydrotalcite known as iowaite Mg6Fe2Cl2(OH)16.4H2O has been studied using Raman spectroscopy. Iowaite has chloride as the counter anion in the interlayer. The formula of synthetic iowaite was found to be Mg5.78Fe2.09(Cl,(CO3)0.5)(OH)16.4H2O. Oxidation of natural iowaite results in the formation of Mg4FeO(Cl,CO3) (OH)8.4H2O. X-ray diffraction (XRD) shows that the iowaite is a layered structure with a d(001) spacing of 8.0 angtsroms. For synthetic iowaite three Raman bands at 1376, 1194 and 1084 cm(-1) are attributed to CO3 stretching vibrations. These bands are not observed for the natural iowaite but are observed when the natural iowaite is exposed to air. The Raman spectrum of natural iowaite shows three bands at 708, 690 and 620 cm(-1) and upon exposure to air, two broad bands are found at 710 and 648 cm(-1). The Raman spectrum of synthetic iowaite has a very broad band at 712 cm(-1). The Raman spectrum of natural iowaite shows an intense band at 527 cm(-1). The air oxidized iowaite shows two bands at 547 and 484 cm(-1) attributed to the (CO3)(2-)nu2 bending mode. Raman spectroscopy has proven most useful for the study of the chemistry of iowaite and chemical changes induced in natural iowaite upon exposure to air.

  12. Development of Single Cell Raman Spectroscopy for Cancer Screening and Therapy Monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Chan, James W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2009-02-24

    The overall goal of this project was to develop a new technology for cancer detection based on single cell laser tweezers Raman spectroscopy (LTRS). This method has the potential to improve the detection of cancer characteristics in single cells by acquiring cellular spectral markers that reflect the intrinsic biology of the cell. These spectral biomarkers are a new form of molecular signatures in the field of cancer research that may hold promise in accurately identifying and diagnosing cancer and measuring patient response to treatment. The primary objectives of this proposed work were to perform a full characterization of the Raman spectra of single normal, transformed, and cancer cells to identify cancer spectral signatures, validate the clinical significance of these results by direct correlation to established clinical parameters for assessing cancer, and to develop the optical technology needed for efficient sampling and analysis of cells needed for the practical use of such a system in the clinic. The results indicated that normal T and B lymphocytes could be distinguished from their neoplastic cultured cells and leukemia patient cells with classification sensitivities and specificities routinely exceeding 90% based on multivariate statistical analysis and leave-one-out cross validation. Differences primarily in the Raman peaks associated with DNA and protein were observed between normal and leukemic cells and were consistent for both the cultured and primary cells. Differences between normal and leukemia patient cells were more subtle than between normal and leukemia cultured cells but were still significant to allow for accurate discrimination. Furthermore, it is revealed that the spectral differences are representative of the neoplastic phenotype of the cells and not a reflection of the different metabolic states (resting versus active) of normal and leukemic cells. The effect of different standard cell fixation protocols (i.e. methanol, paraformaledhye

  13. Phonon populations by nanosecond-pulsed Raman scattering in Si

    International Nuclear Information System (INIS)

    Compaan, A.; Lee, M.C.; Trott, G.J.

    1985-01-01

    Since the first time-resolved Raman studies of phonon populations under pulsed-laser-annealing conditions, a number of cw Raman studies have been performed which provide a much improved basis for interpreting the pulsed Raman data. Here we present new pulsed Raman results and interpret them with reference to temperature-dependent resonance effects, high-carrier-density effects, phonon anharmonicity, and laser-induced strain effects. The pulsed Raman data: Stokes to anti-Stokes ratios, shift and shape of the first-order peak, and second-order spectra: indicate the existence of a phase in which the Raman signal disappears followed by a rapidly cooling solid which begins within 300 K of the 1685 K normal melting temperature of Si. We identify a major difficulty in pulsed Raman studies in Si to be the decrease in Raman intensity at high temperatures

  14. Upgrade of an old Raman Spectrometer

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Berg, Rolf W.; Stenby, Erling Halfdan

    2004-01-01

    Improvement of a conventional Jeol Raman spectrometer with a single channel photo multiplier detector is described. New optical components (fibres, mirror, lens and CCD detector) have been chosen to design a high quality and easy-to-use instrument. Tests have shown that with this modified...... spectrometer Raman spectra can be acquired of a quality comparable to the spectra obtained previously, but the time needed to obtain a spectrum is markedly reduced. Selected test spectra and a simple calibration procedure to obtain the wavenumber values from the band CCD pixel position are presented....

  15. Raman spectroscopic study of reaction dynamics

    Science.gov (United States)

    MacPhail, R. A.

    1990-12-01

    The Raman spectra of reacting molecules in liquids can yield information about various aspects of the reaction dynamics. The author discusses the analysis of Raman spectra for three prototypical unimolecular reactions, the rotational isomerization of n-butane and 1,2-difluoroethane, and the barrierless exchange of axial and equatorial hydrogens in cyclopentane via pseudorotation. In the first two cases the spectra are sensitive to torsional oscillations of the gauche conformer, and yield estimates of the torsional solvent friction. In the case of cyclopentane, the spectra can be used to discriminate between different stochastic models of the pseudorotation dynamics, and to determine the relevant friction coefficients.

  16. Blood proteins analysis by Raman spectroscopy method

    Science.gov (United States)

    Artemyev, D. N.; Bratchenko, I. A.; Khristoforova, Yu. A.; Lykina, A. A.; Myakinin, O. O.; Kuzmina, T. P.; Davydkin, I. L.; Zakharov, V. P.

    2016-04-01

    This work is devoted to study the possibility of plasma proteins (albumin, globulins) concentration measurement using Raman spectroscopy setup. The blood plasma and whole blood were studied in this research. The obtained Raman spectra showed significant variation of intensities of certain spectral bands 940, 1005, 1330, 1450 and 1650 cm-1 for different protein fractions. Partial least squares regression analysis was used for determination of correlation coefficients. We have shown that the proposed method represents the structure and biochemical composition of major blood proteins.

  17. Raman spectroscopy: a structural probe of glycosaminoglycans

    International Nuclear Information System (INIS)

    Bansil, R.; Stanley, H.E.; Yannas, I.V.

    1978-01-01

    The authors report the first Raman spectroscopic study of the glycosaminoglycans chondroitin 4-sulfate, chondroitin 6-sulfate and hyaluronic acid, both in solution and in the solid state. To aid in spectral identification, infrared spectra were also recorded from films of these samples. Vibrational frequencies for important functional groups like the sulfate groups, glycosidic linkages, C-OH and the N-acetyl group can be identified from the Raman spectra. Certain differences in the spectra of the different glycosaminoglycans can be interpreted in terms of the geometry of the various substituents, while other differences can be related to differences in chemical composition. (Auth.)

  18. Negative refraction using Raman transitions and chirality

    Energy Technology Data Exchange (ETDEWEB)

    Sikes, D. E.; Yavuz, D. D. [Department of Physics, 1150 University Avenue, University of Wisconsin at Madison, Madison, Wisconsin 53706 (United States)

    2011-11-15

    We present a scheme that achieves negative refraction with low absorption in far-off resonant atomic systems. The scheme utilizes Raman resonances and does not require the simultaneous presence of an electric-dipole transition and a magnetic-dipole transition near the same wavelength. We show that two interfering Raman tran-sitions coupled to a magnetic-dipole transition can achieve a negative index of refraction with low absorption through magnetoelectric cross-coupling. We confirm the validity of the analytical results with exact numerical simulations of the density matrix. We also discuss possible experimental implementations of the scheme in rare-earth metal atomic systems.

  19. Observation of the low frequency vibrational modes of bacteriophage M13 in water by Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Tsen Shaw-Wei D

    2006-09-01

    Full Text Available Abstract Background Recently, a technique which departs radically from conventional approaches has been proposed. This novel technique utilizes biological objects such as viruses as nano-templates for the fabrication of nanostructure elements. For example, rod-shaped viruses such as the M13 phage and tobacco mosaic virus have been successfully used as biological templates for the synthesis of semiconductor and metallic nanowires. Results and discussion Low wave number (≤ 20 cm-1 acoustic vibrations of the M13 phage have been studied using Raman spectroscopy. The experimental results are compared with theoretical calculations based on an elastic continuum model and appropriate Raman selection rules derived from a bond polarizability model. The observed Raman mode has been shown to belong to one of the Raman-active axial torsion modes of the M13 phage protein coat. Conclusion It is expected that the detection and characterization of this low frequency vibrational mode can be used for applications in nanotechnology such as for monitoring the process of virus functionalization and self-assembly. For example, the differences in Raman spectra can be used to monitor the coating of virus with some other materials and nano-assembly process, such as attaching a carbon nanotube or quantum dots.

  20. Tip Enhanced Raman Spectroscopy of Rhodamine 6G on nanostructured gold substrate

    KAUST Repository

    Moretti, Manola

    2015-05-01

    A new concept based setup for Tip Enhanced Raman Scattering measurement assisted by gold nanostructure is presented, that can provide a platform for gap-mode enhancement of the signal at the single molecule level conjugated with controlled spatial localization of the molecule under investigation and a method to determine the diffraction limit properties of the tip. In essence, this effect is obtained illuminating a gold coated AFM tip which is raster scanned over a nanostructured gold substrate, after chemisorption of a Raman active molecule. We expect that the near-field Raman enhancement would be given by the gap-mode effect of the two facing nano-features. Thanks to the nanostructured substrate, we verify that the resolution of the Raman mapping signal is well below the diffraction limit given by the combination of the optics geometry and the laser wavelength. We show that the gap-mode TERS can generate an estimated field- enhancement (g) of ~20 in localized areas of the sample and we demonstrate the ability to spatially define the molecule position (by Raman mapping) at the tens of nanometers scale. © 2015 Elsevier Ltd.

  1. Selective isolation and noninvasive analysis of circulating cancer stem cells through Raman imaging.

    Science.gov (United States)

    Cho, Hyeon-Yeol; Hossain, Md Khaled; Lee, Jin-Ho; Han, Jiyou; Lee, Hun Joo; Kim, Kyeong-Jun; Kim, Jong-Hoon; Lee, Ki-Bum; Choi, Jeong-Woo

    2018-04-15

    Circulating cancer stem cells (CCSCs), a rare circulating tumor cell (CTC) type, recently arose as a useful resource for monitoring and characterizing both cancers and their metastatic derivatives. However, due to the scarcity of CCSCs among hematologic cells in the blood and the complexity of the phenotype confirmation process, CCSC research can be extremely challenging. Hence, we report a nanoparticle-mediated Raman imaging method for CCSC characterization which profiles CCSCs based on their surface marker expression phenotypes. We have developed an integrated combinatorial Raman-Active Nanoprobe (RAN) system combined with a microfluidic chip to successfully process complete blood samples. CCSCs and CTCs were detected (90% efficiency) and classified in accordance with their respective surface marker expression via completely distinct Raman signals of RANs. Selectively isolated CCSCs (93% accuracy) were employed for both in vitro and in vivo tumor phenotyping to identify the tumorigenicity of the CCSCs. We utilized our new method to predict metastasis by screening blood samples from xenograft models, showing that upon CCSC detection, all subjects exhibited liver metastasis. Having highly efficient detection and noninvasive isolation capabilities, we have demonstrated that our RAN-based Raman imaging method will be valuable for predicting cancer metastasis and relapse via CCSC detection. Moreover, the exclusion of peak overlapping in CCSC analysis with our Raman imaging method will allow to expand the RAN families for various cancer types, therefore, increasing therapeutic efficacy by providing detailed molecular features of tumor subtypes. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. In situ monitoring of cocrystals in formulation development using low-frequency Raman spectroscopy.

    Science.gov (United States)

    Otaki, Takashi; Tanabe, Yuta; Kojima, Takashi; Miura, Masaru; Ikeda, Yukihiro; Koide, Tatsuo; Fukami, Toshiro

    2018-05-05

    In recent years, to guarantee a quality-by-design approach to the development of pharmaceutical products, it is important to identify properties of raw materials and excipients in order to determine critical process parameters and critical quality attributes. Feedback obtained from real-time analyses using various process analytical technology (PAT) tools has been actively investigated. In this study, in situ monitoring using low-frequency (LF) Raman spectroscopy (10-200 cm -1 ), which may have higher discriminative ability among polymorphs than near-infrared spectroscopy and conventional Raman spectroscopy (200-1800 cm -1 ), was investigated as a possible application to PAT. This is because LF-Raman spectroscopy obtains information about intermolecular and/or lattice vibrations in the solid state. The monitoring results obtained from Furosemide/Nicotinamide cocrystal indicate that LF-Raman spectroscopy is applicable to in situ monitoring of suspension and fluidized bed granulation processes, and is an effective technique as a PAT tool to detect the conversion risk of cocrystals. LF-Raman spectroscopy is also used as a PAT tool to monitor reactions, crystallizations, and manufacturing processes of drug substances and products. In addition, a sequence of conversion behaviors of Furosemide/Nicotinamide cocrystals was determined by performing in situ monitoring for the first time. Copyright © 2018 Elsevier B.V. All rights reserved.

  3. Simulations of the polarisation-dependent Raman intensity of β-carotene in photosystem II crystals

    International Nuclear Information System (INIS)

    Brose, K.; Zouni, A.; Müh, F.; Mroginski, M.A.; Maultzsch, J.

    2013-01-01

    Highlights: • First polarisation-dependent Raman spectroscopy on photosystem II crystals. • Orientation-dependent Raman intensity simulations for di- and monomeric crystals. • Simulations account for all β-carotenes (β-Car) in the unit cell for the first time. • Prediction for identificationy of the β-Car cation in side-path electron transport. - Abstract: In order to clarify possibilities to identify the β-carotene (β-Car) radicals in secondary electron transfer (ET) reactions in the photosystem II core complex (PSIIcc), Raman intensities of all 96 β-Car cofactors in the unit cell of PSIIcc-dimer crystals as a function of polarisation and crystal orientation were simulated based on the 2.9 Å resolution structure. The Raman-active symmetry A g in the C 2h group is assigned to the β-Car modes ν 66 and ν 67 . Simulations are in agreement with experiment for off-resonant excitation at 1064 nm. Resonant measurements at 476 and 532 nm excitation can not be explained, which is attributed to mode mixing in the excited state and the existence of different spectral pools. The identity of the β-Car oxidised in secondary ET can not be resolved by Raman measurements on PSIIcc-dimer crystals. Additional simulations show that similar measurements on PSIIcc-monomer crystals could provide a possible route to solve this issue

  4. Simulations of the polarisation-dependent Raman intensity of β-carotene in photosystem II crystals

    Energy Technology Data Exchange (ETDEWEB)

    Brose, K., E-mail: katharina.brose@gmx.net [Institut für Festkörperphysik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin (Germany); Zouni, A. [Institut für Chemie, Max-Volmer-Laboratorium, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany); Müh, F. [Institut für Theoretische Physik, Johannes Kepler Universität Linz, Altenberger Straße 69, 4040 Linz (Austria); Mroginski, M.A. [Institut für Chemie, Max-Volmer-Laboratorium, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany); Maultzsch, J. [Institut für Festkörperphysik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin (Germany)

    2013-06-03

    Highlights: • First polarisation-dependent Raman spectroscopy on photosystem II crystals. • Orientation-dependent Raman intensity simulations for di- and monomeric crystals. • Simulations account for all β-carotenes (β-Car) in the unit cell for the first time. • Prediction for identificationy of the β-Car cation in side-path electron transport. - Abstract: In order to clarify possibilities to identify the β-carotene (β-Car) radicals in secondary electron transfer (ET) reactions in the photosystem II core complex (PSIIcc), Raman intensities of all 96 β-Car cofactors in the unit cell of PSIIcc-dimer crystals as a function of polarisation and crystal orientation were simulated based on the 2.9 Å resolution structure. The Raman-active symmetry A{sub g} in the C{sub 2h} group is assigned to the β-Car modes ν{sub 66} and ν{sub 67}. Simulations are in agreement with experiment for off-resonant excitation at 1064 nm. Resonant measurements at 476 and 532 nm excitation can not be explained, which is attributed to mode mixing in the excited state and the existence of different spectral pools. The identity of the β-Car oxidised in secondary ET can not be resolved by Raman measurements on PSIIcc-dimer crystals. Additional simulations show that similar measurements on PSIIcc-monomer crystals could provide a possible route to solve this issue.

  5. Tip Enhanced Raman Spectroscopy of Rhodamine 6G on nanostructured gold substrate

    KAUST Repository

    Moretti, Manola; Das, Gobind; Torre, Bruno; Allione, Marco; Di Fabrizio, Enzo M.

    2015-01-01

    A new concept based setup for Tip Enhanced Raman Scattering measurement assisted by gold nanostructure is presented, that can provide a platform for gap-mode enhancement of the signal at the single molecule level conjugated with controlled spatial localization of the molecule under investigation and a method to determine the diffraction limit properties of the tip. In essence, this effect is obtained illuminating a gold coated AFM tip which is raster scanned over a nanostructured gold substrate, after chemisorption of a Raman active molecule. We expect that the near-field Raman enhancement would be given by the gap-mode effect of the two facing nano-features. Thanks to the nanostructured substrate, we verify that the resolution of the Raman mapping signal is well below the diffraction limit given by the combination of the optics geometry and the laser wavelength. We show that the gap-mode TERS can generate an estimated field- enhancement (g) of ~20 in localized areas of the sample and we demonstrate the ability to spatially define the molecule position (by Raman mapping) at the tens of nanometers scale. © 2015 Elsevier Ltd.

  6. Raman analysis of ferroelectric switching in niobium-doped lead zirconate titanate thin films

    International Nuclear Information System (INIS)

    Ferrari, P.; Ramos-Moore, E.; Guitar, M.A.; Cabrera, A.L.

    2014-01-01

    Characteristic Raman vibration modes of niobium-doped lead zirconate titanate (PNZT) are studied as a function of ferroelectric domain switching. The microstructure of PNZT is characterized by scanning electron microscopy and X-ray diffraction. Ferroelectric switching is achieved by applying voltages between the top (Au) and bottom (Pt) electrodes, while acquiring the Raman spectra in situ. Vibrational active modes associated with paraelectric and ferroelectric phases are identified after measuring above and below the ferroelectric Curie temperature, respectively. Changes in the relative intensities of the Raman peaks are observed as a function of the switching voltage. The peak area associated with the ferroelectric modes is analyzed as a function of the applied voltage within one ferroelectric polarization loop, showing local maxima around the coercive voltage. This behavior can be understood in terms of the correlation between vibrational and structural properties, since ferroelectric switching modifies the interaction between the body-centered atom (Zr, Ti or Nb) and the Pb–O lattice. - Highlights: • Electric fields induce structural distortions on ferroelectric perovskites. • Ferroelectric capacitor was fabricated to perform hysteresis loops. • Raman analysis was performed in situ during ferroelectric switching. • Raman modes show hysteresis and inflections around the coercive voltages. • Data can be understood in terms of vibrational–structural correlations

  7. Fiber-optic surface-enhanced Raman system for field screening of hazardous compounds

    International Nuclear Information System (INIS)

    Ferrell, T.L.; Goudonnet, J.P.; Arakawa, E.T.; Reddick, R.C.; Gammage, R.B.; Haas, J.W.; James, D.R.; Wachter, E.A.

    1988-01-01

    Surface-enhanced Raman scattering permits identification of compounds adsorbed onto a metal microbase that is microlithographically produced with submicron resolution. Less than one percent of a monolayer of a Raman Active target compound offers a high signal-to-noise ratio. By depositing the microbase on the exterior of a fiber optic cable, convenient field screening or monitoring is permitted. By using highly effective microbases, it is possible to reduce laser power requirements sufficiently to allow an economical, but complete, system to be housed in a suitcase. We shall present details of SERS system of this type and shall show data on samples of interest in the screening of hazardous compounds

  8. High-resolution inverse Raman and resonant-wave-mixing spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rahn, L.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    These research activities consist of high-resolution inverse Raman spectroscopy (IRS) and resonant wave-mixing spectroscopy to support the development of nonlinear-optical techniques for temperature and concentration measurements in combustion research. Objectives of this work include development of spectral models of important molecular species needed to perform coherent anti-Stokes Raman spectroscopy (CARS) measurements and the investigation of new nonlinear-optical processes as potential diagnostic techniques. Some of the techniques being investigated include frequency-degenerate and nearly frequency-degenerate resonant four-wave-mixing (DFWM and NDFWM), and resonant multi-wave mixing (RMWM).

  9. RAMAN THE MAN, HIS CONTRIBUTION AND HIS MESSAGE

    Indian Academy of Sciences (India)

    GV

    Since research careers did not exist back then, Raman decided to join the .... the sea is blue, Raman was constantly thinking about the quantum aspect ..... Referring to the many papers published by Raman in the Journal of ... After that, the creative period ceases abruptly, though scientific .... science of international quality.

  10. Raman Chair | About IASc | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    The Raman Chair was instituted in 1972 by the Government of India to commemorate the memory of the founder of the Academy, Sir C. V. Raman. Eminent scientists are invited by the Council of the Academy to occupy the Chair, for periods of between six weeks and six months. Raman Professors who have occupied the ...

  11. A Raman Study of Titanate Nanotubes | Liu | South African Journal ...

    African Journals Online (AJOL)

    The effect of the addition of NaOH or KOH on commercial Degussa Titania P25 was investigated using TEM, Raman and in situ Raman spectroscopy. Treatment of titania with conc. NaOH generated a tubular material corresponding to a sodium titanate. An in situ Raman study on the sodium titanate nanotubes as a function ...

  12. Analyzing the fundamental properties of Raman amplification in optical fibers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Povlsen, Jørn Hedegaard

    2005-01-01

    The Raman response of germanosilicate fibers is presented. This includes not only the material dependence but also the relation between the spatial-mode profile of the light and the Raman response in the time and frequency domain. From the Raman-gain spectrum, information is derived related...

  13. Scaling the Raman gain coefficient: Applications to Germanosilicate fibers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Bromage, J.; Stentz, A.J.

    2003-01-01

    This paper presents a comprehensive analysis of the temperature dependence of a Raman amplifier and the scaling of the Raman gain coefficient with wavelength, modal overlap, and material composition. The temperature dependence is derived by applying a quantum theoretical description, whereas...... the scaling of the Raman gain coefficient is derived using a classical electromagnetic model. We also present experimental verification of our theoretical findings....

  14. Nanostructured surface enhanced Raman scattering substrates for explosives detection

    DEFF Research Database (Denmark)

    Schmidt, Michael Stenbaek; Olsen, Jesper Kenneth; Boisen, Anja

    2010-01-01

    Here we present a method for trace detection of explosives in the gas phase using novel surface enhanced Raman scattering (SERS) spectroscopy substrates. Novel substrates that produce an exceptionally large enhancement of the Raman effect were used to amplify the Raman signal of explosives...

  15. X-ray diffraction, Raman and photoacoustic studies of InSb nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Ersching, K., E-mail: kleb85@hotmail.com [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, 88040-900 Florianopolis, Santa Catarina (Brazil); Campos, C.E.M.; Lima, J.C. de; Grandi, T.A. [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, 88040-900 Florianopolis, Santa Catarina (Brazil); Souza, S.M. [Departamento de Engenharia Mecanica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, 88040-900 Florianopolis, Santa Catarina (Brazil); Pizani, P.S. [Departamento de Fisica, Universidade Federal de Sao Carlos, 13 565-905 Sao Carlos, SP (Brazil)

    2010-08-01

    Zinc blend InSb nanocrystals were generated by mechanical alloying and X-ray diffraction, Raman spectroscopy and photoacoustic absorption spectroscopy techniques were used to study its structural, optical and thermal properties. Annealed nanocrystals were also studied. Residual amorphous and minority crystalline (Sb and In{sub 2}O{sub 3}) phases were also observed for mechanical alloyed and thermal annealed samples, respectively. The structural parameters, phase fractions, average crystallite sizes and microstrains of all crystalline phases found in the samples were obtained from Rietveld analyses of their X-ray diffraction patterns. Raman results for both as-milled and annealed samples show the Raman active LO and TO modes of the zinc blend InSb phase and Sb-rich regions. The photoacoustic results of both samples were satisfactorily explained by thermal bending heat transfer mechanism and an increase on effective thermal diffusivity coefficient was observed after annealing.

  16. Surface-Enhanced Raman Scattering Using Silica Whispering-Gallery Mode Resonators

    Science.gov (United States)

    Anderson, Mark S.

    2013-01-01

    The motivation of this work was to have robust spectroscopic sensors for sensitive detection and chemical analysis of organic and molecular compounds. The solution is to use silica sphere optical resonators to provide surface-enhanced spectroscopic signal. Whispering-gallery mode (WGM) resonators made from silica microspheres were used for surface-enhanced Raman scattering (SERS) without coupling to a plasmonic mechanism. Large Raman signal enhancement is observed by exclusively using 5.08-micron silica spheres with 785-nm laser excitation. The advantage of this non-plasmonic approach is that the active substrate is chemically inert silica, thermally stable, and relatively simple to fabricate. The Raman signal enhancement is broadly applicable to a wide range of molecular functional groups including aliphatic hydrocarbons, siloxanes, and esters. Applications include trace organic analysis, particularly for in situ planetary instruments that require robust sensors with consistent response.

  17. Femtosecond time-resolved impulsive stimulated Raman spectroscopy using sub-7-fs pulses: Apparatus and applications

    Energy Technology Data Exchange (ETDEWEB)

    Kuramochi, Hikaru [Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako 351-0198 (Japan); Takeuchi, Satoshi; Tahara, Tahei, E-mail: tahei@riken.jp [Molecular Spectroscopy Laboratory, RIKEN, 2-1 Hirosawa, Wako 351-0198 (Japan); Ultrafast Spectroscopy Research Team, RIKEN Center for Advanced Photonics (RAP), 2-1 Hirosawa, Wako 351-0198 (Japan)

    2016-04-15

    We describe details of the setup for time-resolved impulsive stimulated Raman spectroscopy (TR-ISRS). In this method, snapshot molecular vibrational spectra of the photoreaction transients are captured via time-domain Raman probing using ultrashort pulses. Our instrument features transform-limited sub-7-fs pulses to impulsively excite and probe coherent nuclear wavepacket motions, allowing us to observe vibrational fingerprints of transient species from the terahertz to 3000-cm{sup −1} region with high sensitivity. Key optical components for the best spectroscopic performance are discussed. The TR-ISRS measurements for the excited states of diphenylacetylene in cyclohexane are demonstrated, highlighting the capability of our setup to track femtosecond dynamics of all the Raman-active fundamental molecular vibrations.

  18. In-situ UV-Visible and Raman spectroscopy for gas-liquid-solid systems

    NARCIS (Netherlands)

    Stemmet, C.P.; Schouten, J.C.; Nijhuis, T.A.

    2009-01-01

    This paper presents the use of UV-vis and Raman spectroscopy to measure the state of a solid in a multiphase reactor. A slurry of particles and a packed bubble column were used. As this study is a proof of principle a model for an active catalyst system, insoluble pH indicators deposited on the

  19. A low-cost Raman spectrometer design used to study Raman ...

    Indian Academy of Sciences (India)

    Unknown

    The paper discusses the design of a low cost Raman spectrometer. ... system. We observe both the radial-breathing mode (RBM) and the tangential mode ... broadened due to the inherent tube diameter distribution present in the material.

  20. Charge Transfer Effect on Raman and Surface Enhanced Raman Spectroscopy of Furfural Molecules.

    Science.gov (United States)

    Wan, Fu; Shi, Haiyang; Chen, Weigen; Gu, Zhaoliang; Du, Lingling; Wang, Pinyi; Wang, Jianxin; Huang, Yingzhou

    2017-08-02

    The detection of furfural in transformer oil through surface enhanced Raman spectroscopy (SERS) is one of the most promising online monitoring techniques in the process of transformer aging. In this work, the Raman of individual furfural molecules and SERS of furfural-M x (M = Ag, Au, Cu) complexes are investigated through density functional theory (DFT). In the Raman spectrum of individual furfural molecules, the vibration mode of each Raman peak is figured out, and the deviation from experimental data is analyzed by surface charge distribution. In the SERS of furfural-M x complexes, the influence of atom number and species on SERS chemical enhancement factors (EFs) are studied, and are further analyzed by charge transfer effect. Our studies strengthen the understanding of charge transfer effect in the SERS of furfural molecules, which is important in the online monitoring of the transformer aging process through SERS.

  1. NIR–FT Raman, FT–IR and surface-enhanced Raman scattering ...

    Indian Academy of Sciences (India)

    Administrator

    Single crystals of (S)-phenylsuccinic acid (SPSA) were grown by the slow evaporation tech- nique and vibrational ... the shift of Raman frequencies, enhancing or weak- ening of .... Harmonic vibrational wave numbers were cal- culated using ...

  2. Laser pulses for coherent xuv Raman excitation

    Science.gov (United States)

    Greenman, Loren; Koch, Christiane P.; Whaley, K. Birgitta

    2015-07-01

    We combine multichannel electronic structure theory with quantum optimal control to derive femtosecond-time-scale Raman pulse sequences that coherently populate a valence excited state. For a neon atom, Raman target populations of up to 13% are obtained. Superpositions of the ground and valence Raman states with a controllable relative phase are found to be reachable with up to 4.5% population and arbitrary phase control facilitated by the pump pulse carrier-envelope phase. Analysis of the optimized pulse structure reveals a sequential mechanism in which the valence excitation is reached via a fast (femtosecond) population transfer through an intermediate resonance state in the continuum rather than avoiding intermediate-state population with simultaneous or counterintuitive (stimulated Raman adiabatic passage) pulse sequences. Our results open a route to coupling valence excitations and core-hole excitations in molecules and aggregates that locally address specific atoms and represent an initial step towards realization of multidimensional spectroscopy in the xuv and x-ray regimes.

  3. Raman imaging using fixed bandpass filter

    Science.gov (United States)

    Landström, L.; Kullander, F.; Lundén, H.; Wästerby, P.

    2017-05-01

    By using fixed narrow band pass optical filtering and scanning the laser excitation wavelength, hyperspectral Raman imaging could be achieved. Experimental, proof-of-principle results from the Chemical Warfare Agent (CWA) tabun (GA) as well as the common CWA simulant tributyl phosphate (TBP) on different surfaces/substrates are presented and discussed.

  4. Raman spectroscopy of garnet-group minerals

    Science.gov (United States)

    Mingsheng, P.; Mao, Ho-kwang; Dien, L.; Chao, E.C.T.

    1994-01-01

    The Raman spectra of the natural end members of the garnet-group minerals, which include pyrope, almandine and spessarite of Fe-Al garnet series and grossularite, andradite and uvarovite of Ca-Fe garnet series, have been studied. Measured Raman spectra of these minerals are reasonably and qualitatively assigned to the internal modes, translational and rotatory modes of SiO4 tetrahedra, as well as the translational motion of bivalent cations in the X site. The stretch and rotatory Alg modes for the Fe-Al garnet series show obvious Raman shifts as compared with those for the Ca-Fe garnet series, owing to the cations residing in the X site connected with SiO4 tetrahedra by sharing the two edges. The Raman shifts of all members within either of the series are attributed mainly to the properties of cations in the X site for the Fe-Al garnet series and in the Y site for the Ca-Fe garnet series. ?? 1994 Institute of Geochemistry, Chinese Academy of Sciences.

  5. Raman spectroscopic studies of hydrogen clathrate hydrates.

    Science.gov (United States)

    Strobel, Timothy A; Sloan, E Dendy; Koh, Carolyn A

    2009-01-07

    Raman spectroscopic measurements of simple hydrogen and tetrahydrofuran+hydrogen sII clathrate hydrates have been performed. Both the roton and vibron bands illuminate interesting quantum dynamics of enclathrated H(2) molecules. The complex vibron region of the Raman spectrum has been interpreted by observing the change in population of these bands with temperature, measuring the absolute H(2) content as a function of pressure, and with D(2) isotopic substitution. Quadruple occupancy of the large sII clathrate cavity shows the highest H(2) vibrational frequency, followed by triple and double occupancies. Singly occupied small cavities display the lowest vibrational frequency. The vibrational frequencies of H(2) within all cavity environments are redshifted from the free gas phase value. At 76 K, the progression from ortho- to para-H(2) occurs over a relatively slow time period (days). The rotational degeneracy of H(2) molecules within the clathrate cavities is lifted, observed directly in splitting of the para-H(2) roton band. Raman spectra from H(2) and D(2) hydrates suggest that the occupancy patterns between the two hydrates are analogous, increasing confidence that D(2) is a suitable substitute for H(2). The measurements suggest that Raman is an effective and convenient method to determine the relative occupancy of hydrogen molecules in different clathrate cavities.

  6. Surface-enhanced Raman spectroscopy: nonlocal limitations

    DEFF Research Database (Denmark)

    Toscano, Giuseppe; Raza, Søren; Xiao, Sanshui

    2012-01-01

    for our understanding of surface-enhanced Raman spectroscopy (SERS). The intrinsic length scale of the electron gas serves to smear out assumed field singularities, leaving the SERS enhancement factor finite, even for geometries with infinitely sharp features. For silver nanogroove structures, mimicked...

  7. Basic principles of ultrafast Raman loss spectroscopy

    Indian Academy of Sciences (India)

    field tries to drive the electron with its frequency. If the applied field is of the form E = E0eiωt , the driving ..... (CARS),8 coherent Stokes Raman scattering (CSRS), ... gain or loss process in which only two beams are required and it is a self ...

  8. Optimizing laser crater enhanced Raman scattering spectroscopy

    Science.gov (United States)

    Lednev, V. N.; Sdvizhenskii, P. A.; Grishin, M. Ya.; Fedorov, A. N.; Khokhlova, O. V.; Oshurko, V. B.; Pershin, S. M.

    2018-05-01

    The laser crater enhanced Raman scattering (LCERS) spectroscopy technique has been systematically studied for chosen sampling strategy and influence of powder material properties on spectra intensity enhancement. The same nanosecond pulsed solid state Nd:YAG laser (532 nm, 10 ns, 0.1-1.5 mJ/pulse) was used for laser crater production and Raman scattering experiments for L-aspartic acid powder. Increased sampling area inside crater cavity is the key factor for Raman signal improvement for the LCERS technique, thus Raman signal enhancement was studied as a function of numerous experimental parameters including lens-to-sample distance, wavelength (532 and 1064 nm) and laser pulse energy utilized for crater production. Combining laser pulses of 1064 and 532 nm wavelengths for crater ablation was shown to be an effective way for additional LCERS signal improvement. Powder material properties (particle size distribution, powder compactness) were demonstrated to affect LCERS measurements with better results achieved for smaller particles and lower compactness.

  9. Application of Raman spectroscopy for cancer diagnosis

    International Nuclear Information System (INIS)

    Krishnakumar, N.

    2011-01-01

    Cancer is the second leading causes of death next to heart diseases, Half of all cancer cases occur in developing countries. The conventional histopathology is usually the most trustable gold standard for pre-cancer and cancer diagnosis. However, the applicability of this method is more or less restricted because of the requirement of removing human tissues and the difficulty of real time diagnosis. Recently, there has been increased interest in 'optical biopsy' system using tissue spectroscopy to establish the pathological changes. Among optical based methods, Raman spectroscopy is a unique vibrational spectroscopic technique capable of probing biomolecular structures and conformation of tissues, and has excelled in the early detection of pre-cancer and cancer in the number of organs with high diagnostic specificity. Raman spectroscopy offers certain distinct advantages over than other optical diagnostic techniques such as high spatial resolution, use of less harmful NIR radiation, less or no sample preparation, no influence of water bands which facilitates in vivo/in situ measurements. This makes Raman spectroscopy also very useful for biomedical applications. Several research groups have demonstrated the efficacy of this technique in biomedical applications. The background and principle of these techniques will be discussed with some examples and discussions on how Raman spectroscopy can act as a promising technique for rapid in vivo diagnosis and detection of various cancers at the molecular level. (author)

  10. Detecting changes during pregnancy with Raman spectroscopy

    Science.gov (United States)

    Vargis, Elizabeth; Robertson, Kesha; Al-Hendy, Ayman; Reese, Jeff; Mahadevan-Jansen, Anita

    2010-02-01

    Preterm labor is the second leading cause of neonatal mortality and leads to a myriad of complications like delayed development and cerebral palsy. Currently, there is no way to accurately predict preterm labor, making its prevention and treatment virtually impossible. While there are some at-risk patients, over half of all preterm births do not fall into any high-risk category. This study seeks to predict and prevent preterm labor by using Raman spectroscopy to detect changes in the cervix during pregnancy. Since Raman spectroscopy has been used to detect cancers in vivo in organs like the cervix and skin, it follows that spectra will change over the course of pregnancy. Previous studies have shown that fluorescence decreased during pregnancy and increased during post-partum exams to pre-pregnancy levels. We believe significant changes will occur in the Raman spectra obtained during the course of pregnancy. In this study, Raman spectra from the cervix of pregnant mice and women will be acquired. Specific changes that occur due to cervical softening or changes in hormonal levels will be observed to understand the likelihood that a female mouse or a woman will enter labor.

  11. Quantum Zeno effect in Raman scattering

    Czech Academy of Sciences Publication Activity Database

    Thun, K.; Peřina, Jan; Křepelka, Jaromír

    2002-01-01

    Roč. 299, - (2002), s. 19-30 ISSN 0375-9601 R&D Projects: GA MŠk LN00A015 Institutional research plan: CEZ:AV0Z1010921 Keywords : quantum measurement * Raman scattering * Zeno effect Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.483, year: 2002

  12. Electronic resonances in broadband stimulated Raman spectroscopy

    Science.gov (United States)

    Batignani, G.; Pontecorvo, E.; Giovannetti, G.; Ferrante, C.; Fumero, G.; Scopigno, T.

    2016-01-01

    Spontaneous Raman spectroscopy is a formidable tool to probe molecular vibrations. Under electronic resonance conditions, the cross section can be selectively enhanced enabling structural sensitivity to specific chromophores and reaction centers. The addition of an ultrashort, broadband femtosecond pulse to the excitation field allows for coherent stimulation of diverse molecular vibrations. Within such a scheme, vibrational spectra are engraved onto a highly directional field, and can be heterodyne detected overwhelming fluorescence and other incoherent signals. At variance with spontaneous resonance Raman, however, interpreting the spectral information is not straightforward, due to the manifold of field interactions concurring to the third order nonlinear response. Taking as an example vibrational spectra of heme proteins excited in the Soret band, we introduce a general approach to extract the stimulated Raman excitation profiles from complex spectral lineshapes. Specifically, by a quantum treatment of the matter through density matrix description of the third order nonlinear polarization, we identify the contributions which generate the Raman bands, by taking into account for the cross section of each process.

  13. Measured stimulated Raman gain in methane

    International Nuclear Information System (INIS)

    Lopert, R.B.

    1983-01-01

    This report is about the stimulated Raman effect in methane due to the nu 1 vibration. For various gas pressures between 150 torr and 30 atm, the Raman lineshape function was both experimentally measured and synthesized using a computer model. The stimulated Raman gain was measured by sending a pump laser beam provided by an argon-ion laser and a weak probe beam provided by a tunable dye laser through a cell of methane gas. The stimulated Raman effect caused some of the energy from the pump beam to be transferred to the probe beam. The intensity of the pump beam was low so the gain of the probe beam was on the order of parts per million. A two detector arrangement and a differential amplifier system that had a feedback loop to balance the detectors was constructed to measure the small gains. A detailed description of this detection system that was able to measure gains as small as 0.2 parts per million is provided

  14. Quasiperiodic Raman technique for ultrashort pulse generation

    International Nuclear Information System (INIS)

    Yavuz, D.D.; Walker, D.R.; Shverdin, M.Y.; Yin, G.Y.; Harris, S.E.

    2003-01-01

    We report the experimental demonstration of a new Raman technique that produces 200 sidebands, ranging in wavelength from 3 μm to 195 nm. By studying multiphoton ionization of nitric oxide (NO) molecules, we show mutual phase coherence among 15 visible sidebands covering 0.63 octaves of bandwidth

  15. Construction of coherent antistokes Raman spectroscopy (CARS)

    International Nuclear Information System (INIS)

    Zidan, M. D.; Jazmati, A.

    2007-01-01

    Coherent Antistokes Raman Spectroscopy (CARS) has been built. It consists of a Raman cell, which is filled with CO 2 gas at 5 atm pressure and a frequency doubled Nd-YAG laser pumped dye laser. The two beams are focused by means of a bi-convex lens into Raman cell. The Antistokes signals (CARS signals) are generated due to Four-wave mixing process. The antistokes signals were directed to monochrometer entrance slit by prism . The signals are detected by photomultiplier detector which is fixed on the exit slit and connected to data acquisition card located inside the computed case. The dye laser frequency has to be tuned to satisfy the energy difference between the ν 1 beam (Nd- YAG laser beam) and the ν 2 beam (the stokes beam or the dye laser beam) exactly corresponds to a vibrational - rotational Raman resonance (ν 2 - ν 1 = ν M ) in the 12 CO 2 or 13 CO 2 molecule, then the antistokes signals (ν 3 ) will be generated. The spectra of the CARS signals have been recorded to determine the isotope shift of 12 CO 2 , 13 CO 2 , which is 18.3 cm -1 . (author)

  16. Surface enhanced Raman spectroscopy on a flat graphene surface

    Science.gov (United States)

    Xu, Weigao; Ling, Xi; Xiao, Jiaqi; Dresselhaus, Mildred S.; Kong, Jing; Xu, Hongxing; Liu, Zhongfan; Zhang, Jin

    2012-01-01

    Surface enhanced Raman spectroscopy (SERS) is an attractive analytical technique, which enables single-molecule sensitive detection and provides its special chemical fingerprints. During the past decades, researchers have made great efforts towards an ideal SERS substrate, mainly including pioneering works on the preparation of uniform metal nanostructure arrays by various nanoassembly and nanotailoring methods, which give better uniformity and reproducibility. Recently, nanoparticles coated with an inert shell were used to make the enhanced Raman signals cleaner. By depositing SERS-active metal nanoislands on an atomically flat graphene layer, here we designed a new kind of SERS substrate referred to as a graphene-mediated SERS (G-SERS) substrate. In the graphene/metal combined structure, the electromagnetic “hot” spots (which is the origin of a huge SERS enhancement) created by the gapped metal nanoislands through the localized surface plasmon resonance effect are supposed to pass through the monolayer graphene, resulting in an atomically flat hot surface for Raman enhancement. Signals from a G-SERS substrate were also demonstrated to have interesting advantages over normal SERS, in terms of cleaner vibrational information free from various metal-molecule interactions and being more stable against photo-induced damage, but with a comparable enhancement factor. Furthermore, we demonstrate the use of a freestanding, transparent and flexible “G-SERS tape” (consisting of a polymer-layer-supported monolayer graphene with sandwiched metal nanoislands) to enable direct, real time and reliable detection of trace amounts of analytes in various systems, which imparts high efficiency and universality of analyses with G-SERS substrates. PMID:22623525

  17. Raman spectroscopy of saliva as a perspective method for periodontitis diagnostics Raman spectroscopy of saliva

    Science.gov (United States)

    Gonchukov, S.; Sukhinina, A.; Bakhmutov, D.; Minaeva, S.

    2012-01-01

    In view of its potential for biological tissues analyses at a molecular level, Raman spectroscopy in optical range has been the object of biomedical research for the last years. The main aim of this work is the development of Raman spectroscopy for organic content identifying and determination of biomarkers of saliva at a molecular level for periodontitis diagnostics. Four spectral regions were determined: 1155 and 1525 cm-1, 1033 and 1611 cm-1, which can be used as biomarkers of this widespread disease.

  18. Vibrational properties of epitaxial Bi{sub 4}Te{sub 3} films as studied by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Hao; Pan, Wenwu; Chen, Qimiao; Wu, Xiaoyan [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 865 Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A Yuquan Road, Beijing 100049 (China); Song, Yuxin, E-mail: songyuxin@mail.sim.ac.cn, E-mail: shumin@chalmers.se; Gong, Qian [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 865 Changning Road, Shanghai 200050 (China); Lu, Pengfei [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Wang, Shumin, E-mail: songyuxin@mail.sim.ac.cn, E-mail: shumin@chalmers.se [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 865 Changning Road, Shanghai 200050 (China); Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Gothenburg (Sweden)

    2015-08-15

    Bi{sub 4}Te{sub 3}, as one of the phases of the binary Bi–Te system, shares many similarities with Bi{sub 2}Te{sub 3}, which is known as a topological insulator and thermoelectric material. We report the micro-Raman spectroscopy study of 50 nm Bi{sub 4}Te{sub 3} films on Si substrates prepared by molecular beam epitaxy. Raman spectra of Bi{sub 4}Te{sub 3} films completely resolve the six predicted Raman-active phonon modes for the first time. Structural features and Raman tensors of Bi{sub 4}Te{sub 3} films are introduced. According to the wavenumbers and assignments of the six eigenpeaks in the Raman spectra of Bi{sub 4}Te{sub 3} films, it is found that the Raman-active phonon oscillations in Bi{sub 4}Te{sub 3} films exhibit the vibrational properties of those in both Bi and Bi{sub 2}Te{sub 3} films.

  19. Through tissue imaging of a live breast cancer tumour model using handheld surface enhanced spatially offset resonance Raman spectroscopy (SESORRS).

    Science.gov (United States)

    Nicolson, Fay; Jamieson, Lauren E; Mabbott, Samuel; Plakas, Konstantinos; Shand, Neil C; Detty, Michael R; Graham, Duncan; Faulds, Karen

    2018-04-21

    In order to improve patient survival and reduce the amount of unnecessary and traumatic biopsies, non-invasive detection of cancerous tumours is of imperative and urgent need. Multicellular tumour spheroids (MTS) can be used as an ex vivo cancer tumour model, to model in vivo nanoparticle (NP) uptake by the enhanced permeability and retention (EPR) effect. Surface enhanced spatially offset Raman spectroscopy (SESORS) combines both surface enhanced Raman spectroscopy (SERS) and spatially offset Raman spectroscopy (SORS) to yield enhanced Raman signals at much greater sub-surface levels. By utilizing a reporter that has an electronic transition in resonance with the laser frequency, surface enhanced resonance Raman scattering (SERRS) yields even greater enhancement in Raman signal. Using a handheld SORS spectrometer with back scattering optics, we demonstrate the detection of live breast cancer 3D MTS containing SERRS active NPs through 15 mm of porcine tissue. False color 2D heat intensity maps were used to determine tumour model location. In addition, we demonstrate the tracking of SERRS-active NPs through porcine tissue to depths of up to 25 mm. This unprecedented performance is due to the use of red-shifted chalcogenpyrylium-based Raman reporters to demonstrate the novel technique of surface enhanced spatially offset resonance Raman spectroscopy (SESORRS) for the first time. Our results demonstrate a significant step forward in the ability to detect vibrational fingerprints from a tumour model at depth through tissue. Such an approach offers significant promise for the translation of NPs into clinical applications for non-invasive disease diagnostics based on this new chemical principle of measurement.

  20. Raman spectroscopy of triolein under high pressures

    Science.gov (United States)

    Tefelski, D. B.; Jastrzębski, C.; Wierzbicki, M.; Siegoczyński, R. M.; Rostocki, A. J.; Wieja, K.; Kościesza, R.

    2010-03-01

    This article presents results of the high pressure Raman spectroscopy of triolein. Triolein, a triacylglyceride (TAG) of oleic acid, is an unsaturated fat, present in natural oils such as olive oil. As a basic food component and an energy storage molecule, it has considerable importance for food and fuel industries. To generate pressure in the experiment, we used a high-pressure cylindrical chamber with sapphire windows, presented in (R.M. Siegoczyński, R. Kościesza, D.B. Tefelski, and A. Kos, Molecular collapse - modification of the liquid structure induced by pressure in oleic acid, High Press. Res. 29 (2009), pp. 61-66). Pressure up to 750 MPa was applied. A Raman spectrometer in "macro"-configuration was employed. Raman spectroscopy provides information on changes of vibrational modes related to structural changes of triolein under pressure. Interesting changes in the triglyceride C‒H stretching region at 2650-3100 cm-1 were observed under high-pressures. Changes were also observed in the ester carbonyl (C˭ O) stretching region 1700-1780 cm-1 and the C‒C stretching region at 1050-1150 cm-1. The overall luminescence of the sample decreased under pressure, making it possible to set longer spectrum acquisition time and obtain more details of the spectrum. The registered changes suggest that the high-pressure solid phase of triolein is organized as β-polymorphic, as was reported in (C. Akita, T. Kawaguchi, and F. Kaneko, Structural study on polymorphism of cis-unsaturated triacylglycerol: Triolein, J. Phys. Chem. B 110 (2006), pp. 4346-4353; E. Da Silva and D. Rousseau, Molecular order and thermodynamics of the solid-liquid transition in triglycerides via Raman spectroscopy, Phys. Chem. Chem. Phys. 10 (2008), pp. 4606-4613) (with temperature-induced phase transitions). The research has shown that Raman spectroscopy in TAGs under pressure reveals useful information about its structural changes.

  1. Spectroscopy and Raman imaging of inhomogeneous materials

    International Nuclear Information System (INIS)

    Maslova, Olga

    2014-01-01

    This thesis is aimed at developing methodologies in Raman spectroscopy and imaging. After reviewing the statistical instruments which allow treating giant amount of data (multivariate analysis and classification), the study is applied to two families of well-known materials which are used as models for testing the limits of the implemented developments. The first family is a series of carbon materials pyrolyzed at various temperatures and exhibiting inhomogeneities at a nm scale which is suitable for Raman-X-ray diffraction combination. Another results concern the polishing effect on carbon structure. Since it is found to induce Raman artifacts leading to the overestimation of the local structural disorder, a method based on the use of the G band width is therefore proposed in order to evaluate the crystallite size in both unpolished and polished nano-graphites. The second class of materials presents inhomogeneities at higher (micrometric) scales by the example of uranium dioxide ceramics. Being well adapted in terms of spatial scale, Raman imaging is thus used for probing their surfaces. Data processing is implemented via an approach combining the multivariate (principal component) analysis and the classical fitting procedure with Lorentzian profiles. The interpretation of results is supported via electron backscattering diffraction (EBSD) analysis which enables us to distinguish the orientation effects of ceramic grains from other underlying contributions. The last ones are mainly localized at the grain boundaries, that is testified by the appearance of a specific Raman mode. Their origin seems to be caused by stoichiometric oxygen variations or impurities, as well as strain inhomogeneities. The perspectives of this work include both the implementation of other mathematical methods and in-depth analysis of UO 2 structure damaged by irradiation (anisotropic effects, role of grain boundaries). (author) [fr

  2. In-pile Thermal Conductivity Characterization with Time Resolved Raman

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xinwei [Iowa State Univ., Ames, IA (United States). Dept. of Mechanical Engineering; Hurley, David H. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2018-03-19

    The project is designed to achieve three objectives: (1) Develop a novel time resolved Raman technology for direct measurement of fuel and cladding thermal conductivity. (2) Validate and improve the technology development by measuring ceramic materials germane to the nuclear industry. (3) Conduct instrumentation development to integrate optical fiber into our sensing system for eventual in-pile measurement. We have developed three new techniques: time-domain differential Raman (TD-Raman), frequency-resolved Raman (FR-Raman), and energy transport state-resolved Raman (ET-Raman). The TD-Raman varies the laser heating time and does simultaneous Raman thermal probing, the FR-Raman probes the material’s thermal response under periodical laser heating of different frequencies, and the ET-Raman probes the thermal response under steady and pulsed laser heating. The measurement capacity of these techniques have been fully assessed and verified by measuring micro/nanoscale materials. All these techniques do not need the data of laser absorption and absolute material temperature rise, yet still be able to measure the thermal conductivity and thermal diffusivity with unprecedented accuracy. It is expected they will have broad applications for in-pile thermal characterization of nuclear materials based on pure optical heating and sensing.

  3. Condensing Raman spectrum for single-cell phenotype analysis

    KAUST Repository

    Sun, Shiwei

    2015-12-09

    Background In recent years, high throughput and non-invasive Raman spectrometry technique has matured as an effective approach to identification of individual cells by species, even in complex, mixed populations. Raman profiling is an appealing optical microscopic method to achieve this. To fully utilize Raman proling for single-cell analysis, an extensive understanding of Raman spectra is necessary to answer questions such as which filtering methodologies are effective for pre-processing of Raman spectra, what strains can be distinguished by Raman spectra, and what features serve best as Raman-based biomarkers for single-cells, etc. Results In this work, we have proposed an approach called rDisc to discretize the original Raman spectrum into only a few (usually less than 20) representative peaks (Raman shifts). The approach has advantages in removing noises, and condensing the original spectrum. In particular, effective signal processing procedures were designed to eliminate noise, utilising wavelet transform denoising, baseline correction, and signal normalization. In the discretizing process, representative peaks were selected to signicantly decrease the Raman data size. More importantly, the selected peaks are chosen as suitable to serve as key biological markers to differentiate species and other cellular features. Additionally, the classication performance of discretized spectra was found to be comparable to full spectrum having more than 1000 Raman shifts. Overall, the discretized spectrum needs about 5storage space of a full spectrum and the processing speed is considerably faster. This makes rDisc clearly superior to other methods for single-cell classication.

  4. [Surface-enhanced Raman spectroscopy analysis of thiabendazole pesticide].

    Science.gov (United States)

    Lin, Lei; Wu, Rui-mei; Liu, Mu-hua; Wang, Xiao-bin; Yan, Lin-yuan

    2015-02-01

    Surface-enhanced Raman spectroscopy (SERS) technique was used to analyze the Raman peaks of thiabendazole pesticides in the present paper. Surface enhanced substrates of silver nanoparticle were made based on microwave technology. Raman signals of thiabendazole were collected by laser Micro-Raman spectrometer with 514. 5 and 785 nm excitation wavelengths, respectively. The Raman peaks at different excitation wavelengths were analyzed and compared. The Raman peaks 782 and 1 012 at 785 nm excitation wavelength were stronger, which were C--H out-of-plane vibrations. While 1284, 1450 and 1592 cm(-1) at 514.5 nm excitation wavelength were stronger, which were vng and C==N stretching. The study results showed that the intensity of Raman peak and Raman shift at different excitation wavelengths were different And strong Raman signals were observed at 782, 1012, 1284, 1450 and 1592 cm(-1) at 514.5 and 785 nm excitation wavelengths. These characteristic vibrational modes are characteristic Raman peaks of carbendazim pesticide. The results can provide basis for the rapid screening of pesticide residue in agricultural products and food based on Raman spectrum.

  5. Raman Spectra from Pesticides on the Surface of Fruits

    International Nuclear Information System (INIS)

    Zhang, P X; Zhou Xiaofang; Cheng, Andrew Y S; Fang Yan

    2006-01-01

    Raman spectra of several vegetables and fruits were studied by micro-Raman spectrometer (514.5 nm) and Near-infrared Fourier Transform Raman spectrometer (FTRaman). It is shown that at 514.5 nm excitation, most of the spectra are from that of carotene with some very strong fluorescence in some cases. While at 1064 nm wavelength excitation, the spectra from the different samples demonstrate different characteristic Raman spectra without fluorescence. We discuss the spectroscopic difference by the two excitation wavelengths, and the application of Raman spectra for detection of pesticides left on the surface of vegetables and fruits. Raman spectra of fruits and pesticides were successfully recorded, and using the FT-Raman spectra the pesticides left on the surface of the fruits can be detected conveniently

  6. Raman spectroscopy in nanomedicine: current status and future perspective.

    Science.gov (United States)

    Keating, Mark E; Byrne, Hugh J

    2013-08-01

    Raman spectroscopy is a branch of vibration spectroscopy that is capable of probing the chemical composition of materials. Recent advances in Raman microscopy have significantly added to the range of applications, which now extend from medical diagnostics to exploring the interfaces between biological organisms and nanomaterials. In this review, Raman is introduced in a general context, highlighting some of the areas in which the technique has been successful in the past, as well as some of the potential benefits it offers over other analytical modalities. The subset of Raman techniques that specifically probe the nanoscale, namely surface- and tip-enhanced Raman spectroscopy, will be described and specific applications relevant to nanomedical applications will be reviewed. Progress in the use of traditional label-free Raman for investigation of nanoscale interactions will be described, and recent developments in coherent anti-Stokes Raman scattering will be explored, particularly its applications to biomedical and nanomedical fields.

  7. Coherent Raman scattering: Applications in imaging and sensing

    Science.gov (United States)

    Cui, Meng

    In this thesis, I discuss the theory, implementation and applications of coherent Raman scattering to imaging and sensing. A time domain interferometric method has been developed to collect high resolution shot-noise-limited Raman spectra over the Raman fingerprint regime and completely remove the electronic background signal in coherent Raman scattering. Compared with other existing coherent Raman microscopy methods, this time domain approach is proved to be simpler and more robust in rejecting background signal. We apply this method to image polymers and biological samples and demonstrate that the same setup can be used to collect two photon fluorescence and self phase modulation signals. A signal to noise ratio analysis is performed to show that this time domain method has a comparable signal to noise ratio to spectral domain methods, which we confirm experimentally. The coherent Raman method is also compared with spontaneous Raman scattering. The conditions under which coherent methods provide signal enhancement are discussed and experiments are performed to compare coherent Raman scattering with spontaneous Raman scattering under typical biological imaging conditions. A critical power, above which coherent Raman scattering is more sensitive than spontaneous Raman scattering, is experimentally determined to be ˜1mW in samples of high molecule concentration with a 75MHz laser system. This finding is contrary to claims that coherent methods provide many orders of magnitude enhancement under comparable conditions. In addition to the far field applications, I also discuss the combination of our time domain coherent Raman method with near field enhancement to explore the possibility of sensing and near field imaging. We report the first direct time-resolved coherent Raman measurement performed on a nanostructured substrate for molecule sensing. The preliminary results demonstrate that sub 20 fs pulses can be used to obtain coherent Raman spectra from a small number

  8. Lattice dynamics of binary and ternary phases in Ti–Si–C system: A combined Raman spectroscopy and density functional theory study

    International Nuclear Information System (INIS)

    Wdowik, U.D.; Twardowska, A.; Mȩdala-Wa̧sik, M.

    2015-01-01

    Results of the x-ray diffraction and the Raman spectroscopy experiments on the multiphase Ti–Si–C system containing Ti_3SiC_2 as the major phase and TiSi_2, TiC_x, and Ti_5Si_3/Ti_5Si_3C_x impurity phases are reported. Experimental studies are supported by the density functional theory calculations of the Raman spectra performed for the major and concomitant phases. The effect of carbon vacancies and impurities on the TiC_x and Ti_5Si_3C_x Raman spectra is investigated. It is shown that identification and refinement of the phase composition of the multicomponent Ti–Si–C system based on the theoretical Raman spectroscopy can be achieved when both frequencies and intensities of the simulated Raman-active modes are simultaneously considered. - Highlights: • Multiphase Ti-Si-C system is explored by Raman spectroscopy and DFT methods. • Ab initio Raman spectra of Ti3SiC2, TiSi2, TiCx, Ti5Si3/Ti5Si3Cx are investigated. • Raman intensities play key role in refinement of spectra from multiphase samples.

  9. Lattice dynamics of binary and ternary phases in Ti–Si–C system: A combined Raman spectroscopy and density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Wdowik, U.D., E-mail: sfwdowik@cyf-kr.edu.pl; Twardowska, A.; Mȩdala-Wa̧sik, M.

    2015-11-15

    Results of the x-ray diffraction and the Raman spectroscopy experiments on the multiphase Ti–Si–C system containing Ti{sub 3}SiC{sub 2} as the major phase and TiSi{sub 2}, TiC{sub x}, and Ti{sub 5}Si{sub 3}/Ti{sub 5}Si{sub 3}C{sub x} impurity phases are reported. Experimental studies are supported by the density functional theory calculations of the Raman spectra performed for the major and concomitant phases. The effect of carbon vacancies and impurities on the TiC{sub x} and Ti{sub 5}Si{sub 3}C{sub x} Raman spectra is investigated. It is shown that identification and refinement of the phase composition of the multicomponent Ti–Si–C system based on the theoretical Raman spectroscopy can be achieved when both frequencies and intensities of the simulated Raman-active modes are simultaneously considered. - Highlights: • Multiphase Ti-Si-C system is explored by Raman spectroscopy and DFT methods. • Ab initio Raman spectra of Ti3SiC2, TiSi2, TiCx, Ti5Si3/Ti5Si3Cx are investigated. • Raman intensities play key role in refinement of spectra from multiphase samples.

  10. Raman Investigation of Temperature Profiles of Phospholipid Dispersions in the Biochemistry Laboratory

    Science.gov (United States)

    Craig, Norman C.

    2015-06-01

    The temperature dependence of self-assembled, cell-like dispersions of phospholipids is investigated with Raman spectroscopy in the biochemistry laboratory. Vibrational modes in the hydrocarbon interiors of phospholipid bilayers are strongly Raman active, whereas the vibrations of the polar head groups and the water matrix have little Raman activity. From Raman spectra increases in fluidity of the hydrocarbon chains can be monitored with intensity changes as a function of temperature in the CH-stretching region. The experiment uses detection of scattered 1064-nm laser light (Nicolet NXR module) by a Fourier transform infrared spectrometer (Nicolet 6700). A thermoelectric heater-cooler device (Melcor) gives convenient temperature control from 5 to 95°C for samples in melting point capillaries. Use of deuterium oxide instead of water as the matrix avoids some absorption of the exciting laser light and interference with intensity observations in the CH-stretching region. Phospholipids studied range from dimyristoylphosphotidyl choline (C14, transition T = 24°C) to dibehenoylphosphotidyl choline (C22, transition T = 74°C).

  11. High-temperature Raman spectroscopy of solid oxide fuel cell materials and processes.

    Science.gov (United States)

    Pomfret, Michael B; Owrutsky, Jeffrey C; Walker, Robert A

    2006-09-07

    Chemical and material processes occurring in high temperature environments are difficult to quantify due to a lack of experimental methods that can probe directly the species present. In this letter, Raman spectroscopy is shown to be capable of identifying in-situ and noninvasively changes in material properties as well as the formation and disappearance of molecular species on surfaces at temperatures of 715 degrees C. The material, yttria-stabilized zirconia or YSZ, and the molecular species, Ni/NiO and nanocrystalline graphite, factor prominently in the chemistry of solid oxide fuel cells (SOFCs). Experiments demonstrate the ability of Raman spectroscopy to follow reversible oxidation/reduction kinetics of Ni/NiO as well as the rate of carbon disappearance when graphite, formed in-situ, is exposed to a weakly oxidizing atmosphere. In addition, the Raman active phonon mode of YSZ shows a temperature dependent shift that correlates closely with the expansion of the lattice parameter, thus providing a convenient internal diagnostic for identifying thermal gradients in high temperature systems. These findings provide direct insight into processes likely to occur in operational SOFCs and motivate the use of in-situ Raman spectroscopy to follow chemical processes in these high-temperature, electrochemically active environments.

  12. QSpec: online control and data analysis system for single-cell Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Lihui Ren

    2014-06-01

    Full Text Available Single-cell phenotyping is critical to the success of biological reductionism. Raman-activated cell sorting (RACS has shown promise in resolving the dynamics of living cells at the individual level and to uncover population heterogeneities in comparison to established approaches such as fluorescence-activated cell sorting (FACS. Given that the number of single-cells would be massive in any experiment, the power of Raman profiling technique for single-cell analysis would be fully utilized only when coupled with a high-throughput and intelligent process control and data analysis system. In this work, we established QSpec, an automatic system that supports high-throughput Raman-based single-cell phenotyping. Additionally, a single-cell Raman profile database has been established upon which data-mining could be applied to discover the heterogeneity among single-cells under different conditions. To test the effectiveness of this control and data analysis system, a sub-system was also developed to simulate the phenotypes of single-cells as well as the device features.

  13. Stimulated Raman backscattering at high laser intensities

    Energy Technology Data Exchange (ETDEWEB)

    Skoric, M M [Vinca Inst. of Nuclear Sciences, Belgrade (Yugoslavia); Tajima, Toshiki; Sasaki, Akira; Maluckov, A; Jovanovic, M

    1998-03-01

    Signatures of Stimulated Raman backscattering of a short-pulse high-intensity laser interacting with an underdense plasma are discussed. We introduce a nonlinear three-wave interaction model that accounts for laser pump depletion and relativistic detuning. A mechanism is revealed based on a generic route to chaos, that predicts a progressive increase of the backscatter complexity with a growing laser intensity. Importance of kinetic effects is outlined and demonstrated in fluid-hybrid and particle simulations. As an application, we show that spectral anomalies of the backscatter, predicted by the above model, are consistent with recent sub-picosecond, high-intensity laser gas-target measurements at Livermore and elsewhere. Finally, a recently proposed scheme for generation of ultra-short, low-prepulse laser pulses by Raman backscattering in a thin foil target, is shown. (author)

  14. Raman spectroscopic biochemical mapping of tissues

    Science.gov (United States)

    Stone, Nicholas; Hart Prieto, Maria C.; Kendall, Catherine A.; Shetty, Geeta; Barr, Hugh

    2006-02-01

    Advances in technologies have brought us closer to routine spectroscopic diagnosis of early malignant disease. However, there is still a poor understanding of the carcinogenesis process. For example it is not known whether many cancers follow a logical sequence from dysplasia, to carcinoma in situ, to invasion. Biochemical tissue changes, triggered by genetic mutations, precede morphological and structural changes. These can be probed using Raman or FTIR microspectroscopy and the spectra analysed for biochemical constituents. Local microscopic distribution of various constituents can then be visualised. Raman mapping has been performed on a number of tissues including oesophagus, breast, bladder and prostate. The biochemical constituents have been calculated at each point using basis spectra and least squares analysis. The residual of the least squares fit indicates any unfit spectral components. The biochemical distribution will be compared with the defined histopathological boundaries. The distribution of nucleic acids, glycogen, actin, collagen I, III, IV, lipids and others appear to follow expected patterns.

  15. Raman Amplification with a Flying Focus

    Science.gov (United States)

    Turnbull, D.; Bucht, S.; Davies, A.; Haberberger, D.; Kessler, T.; Shaw, J. L.; Froula, D. H.

    2018-01-01

    We propose a new laser amplifier scheme utilizing stimulated Raman scattering in plasma in conjunction with a "flying focus"—a chromatic focusing system combined with a chirped pump beam that provides spatiotemporal control over the pump's focal spot. Pump intensity isosurfaces are made to propagate at v =-c so as to be in sync with the injected counterpropagating seed pulse. By setting the pump intensity in the interaction region to be just above the ionization threshold of the background gas, an ionization wave is produced that travels at a fixed distance ahead of the seed. Simulations show that this will make it possible to optimize the plasma temperature and mitigate many of the issues that are known to have impacted previous Raman amplification experiments, in particular, the growth of precursors.

  16. Field Raman spectrograph for environmental analysis

    International Nuclear Information System (INIS)

    Haas, J.W. III; Forney, R.W.; Carrabba, M.M.; Rauh, R.D.

    1995-01-01

    The enormous cost for chemical analysis at DOE facilities predicates that cost-saving measures be implemented. Many approaches, ranging from increasing laboratory sample throughput by reducing preparation time to the development of field instrumentation, are being explored to meet this need. Because of the presence of radioactive materials at many DOE sites, there is also a need for methods that are safer for site personnel and analysts. This project entails the development of a compact Raman spectrograph for field screening and monitoring of a wide variety of wastes, pollutants, and corrosion products in storage tanks, soils, and ground and surface waters. Analytical advantages of the Raman technique include its ability to produce a unique, spectral fingerprint for each contaminant and its ability to analyze both solids and liquids directly, without the need for isolation or cleanup

  17. Raman Identification of Polymorphs in Pentacene Films

    Directory of Open Access Journals (Sweden)

    Alberto Girlando

    2016-04-01

    Full Text Available We use Raman spectroscopy to characterize thin films of pentacene grown on Si/SiO x by Supersonic Molecular Beam Deposition (SuMBD. We find that films up to a thickness of about 781 Å (∼ 52 monolayers all belong to the so-called thin-film (TF phase. The appearance with strong intensity of some lattice phonons suggests that the films are characterized by good intra-layer order. A comparison of the Raman spectra in the lattice and CH bending spectral regions of the TF polymorph with the corresponding ones of the high-temperature (HT and low-temperature (LT bulk pentacene polymorphs provides a quick and nondestructive method to identify the different phases.

  18. Frequency-asymmetric gain profile in a seeded Raman amplifier

    International Nuclear Information System (INIS)

    Repasky, K.S.; Carlsten, J.L.

    1996-01-01

    This paper examines the effect of index guiding on Raman gain. The slowly varying Maxwell wave equation including both the real and imaginary parts of the Raman susceptibility for a seeded Raman amplifier is explored. Using a Gauss-Laguerre mode expansion for the Stokes field, the output Stokes energy is numerically studied as a function of gain and detuning from the Raman resonance. The calculations indicate that the real part of the Raman susceptibility causes the Raman medium to act as a lens when the Stokes seed is detuned from the Raman resonance. This focusing effect leads to higher peak Stokes energy when the Stokes seed is tuned to the blue side of the Raman resonance. Specifically for Raman scattering in H 2 with a pump laser at 532 nm and an input seed near 683 nm, the peak Stokes energy can shift by as much as 300 MHz from the Raman resonance. An experiment which confirms these predictions is also presented. copyright 1996 The American Physical Society

  19. Monolithic PM Raman fiber laser at 1679 nm for Raman amplification at 1810 nm

    DEFF Research Database (Denmark)

    Svane, Ask Sebastian; Rottwitt, Karsten

    2013-01-01

    Stimulated Raman scattering (SRS) has been subject to much attention within the field of fiber lasers and amplifiers as it provides an extended wavelength coverage in comparison to rare-earth based devices. Motivated by the projected capacity crunch [1], different approaches are being explored...... demonstrate a monolithic RM Raman fiber laser (RFL), which acts as a pump for a Raman amplifier (RA) at 1810 nm. The lasing wavelength of a RFL, thus also for a RA, can in principle be designed arbitrarily within the entire wavelength range from the Erbium band up to the Thulium/Holmium band...... of OFS PM Raman fiber, with an estimated propagation loss of 0.42/0.46/1.3 dB/km at 1564/1679/1810 nm. The Raman gain coefficient was measured to be gR=2.66/2.35 W-1km-1 at 1679/1810 nm. The laser curve of the RFL is depicted in Fig. 1b, with a slope efficiency of 67 %. The high slope efficiency...

  20. Raman Spectra of Nanodiamonds: New Treatment Procedure Directed for Improved Raman Signal Marker Detection

    Directory of Open Access Journals (Sweden)

    Raoul R. Nigmatullin

    2013-01-01

    Full Text Available Detonation nanodiamonds (NDs have shown to be promising agents in several industries, ranging from electronic to biomedical applications. These NDs are characterized by small particle size ranging from 3 to 6 nm, while having a reactive surface and a stable inert core. Nanodiamonds can exhibit novel intrinsic properties such as fluorescence, high refractive index, and unique Raman signal making them very attractive imaging agents. In this work, we used several nanodiamond preparations for Raman spectroscopic studies. We exposed these nanodiamonds to increasing temperature treatments at constant heating rates (425–575°C aiding graphite release. We wanted to correlate changes in the nanodiamond surface and properties with Raman signal which could be used as a detection marker. These observations would hold potential utility in biomedical imaging applications. First, the procedure of optimal linear smoothing was applied successfully to eliminate the high-frequency fluctuations and to extract the smoothed Raman spectra. After that we applied the secondary Fourier transform as the fitting function based on some significant set of frequencies. The remnant noise was described in terms of the beta-distribution function. We expect this data treatment to provide better results in biomolecule tracking using nanodiamond base Raman labeling.

  1. Raman spectroscopy for the microbiological characterization and identification of medically relevant bacteria

    Science.gov (United States)

    Hamasha, Khozima Mahmoud

    The detection and identification of pathogenic bacteria has become more important than ever due to the increase of potential bioterrorism threats and the high mortality rate of bacterial infections worldwide. Raman spectroscopy has recently gained popularity as an attractive robust approach for the molecular characterization, rapid identification, and accurate classification of a wide range of bacteria. In this dissertation, Raman spectroscopy utilizing advanced statistical techniques was used to identify and discriminate between different pathogenic and non-pathogenic bacterial strains of E. coli and Staphylococcus aureus bacterial species by probing the molecular compositions of the cells. The five-carbon sugar xylitol, which cannot be metabolized by the oral and nasopharyngeal bacteria, had been recognized by clinicians as a preventive agents for dental caries and many studies have demonstrated that xylitol causes a reduction in otitis media (chronic inner ear infections) and other nasopharyngeal infections. Raman spectroscopy was used to characterize the uptake and metabolic activity of xylitol in pathogenic (viridans group Streptococcus) and nonpathogenic (E. coli) bacteria by taking their Raman spectra before xylitol exposure and after growing with xylitol and quantifying the significant differences in the molecular vibrational modes due to this exposure. The results of this study showed significant stable spectral changes in the S. viridians bacteria induced by xylitol and those changes were not the same as in some E. coli strains. Finally, Raman spectroscopy experiments were conducted to provide important information about the function of a certain protein (wag31) of Mycobacterium tuberculosis using a relative non-pathogenic bacterium called Mycobacterium smegmatis. Raman spectra of conditional mutants of bacteria expressing three different phosphorylation forms of wag31 were collected and analyzed. The results show that that the phosphorylation of wag31

  2. Raman spectroscopy and oral exfoliative cytology

    Science.gov (United States)

    Sahu, Aditi; Shah, Nupur; Mahimkar, Manoj; Garud, Mandavi; Pagare, Sandeep; Nair, Sudhir; Krishna, C. Murali

    2014-03-01

    Early detection of oral cancers can substantially improve disease-free survival rates. Ex vivo and in vivo Raman spectroscopic (RS) studies on oral cancer have demonstrated the applicability of RS in identifying not only malignant and premalignant conditions but also cancer-field-effects: the earliest events in oral carcinogenesis. RS has also been explored for cervical exfoliated cells analysis. Exfoliated cells are associated with several advantages like non-invasive sampling, higher patient compliance, transportation and analysis at a central facility: obviating need for on-site instrumentation. Thus, oral exfoliative cytology coupled with RS may serve as a useful adjunct for oral cancer screening. In this study, exfoliated cells from healthy controls with and without tobacco habits, premalignant lesions (leukoplakia and tobacco-pouch-keratosis) and their contralateral mucosa were collected using a Cytobrush. Cells were harvested by vortexing and centrifugation at 6000 rpm. The cellular yield was ascertained using Neubauer's chamber. Cell pellets were placed on a CaF2 window and Raman spectra were acquired using a Raman microprobe (40X objective) coupled HE-785 Raman spectrometer. Approximately 7 spectra were recorded from each pellet, following which pellet was smeared onto a glass slide, fixed in 95% ethanol and subjected to Pap staining for cytological diagnosis (gold standard). Preliminary PC-LDA followed by leave-one-out cross validation indicate delineation of cells from healthy and all pathological conditions. A tendency of classification was also seen between cells from contralateral, healthy tobacco and site of premalignant lesions. These results will be validated by cytological findings, which will serve as the basis for building standard models of each condition.

  3. Enhanced Raman scattering on functionalized graphene substrates

    Czech Academy of Sciences Publication Activity Database

    Valeš, Václav; Kovaříček, Petr; Fridrichová, Michaela; Ji, X.; Ling, X.; Kong, J.; Dresselhaus, M. S.; Kalbáč, Martin

    2017-01-01

    Roč. 4, č. 2 (2017), č. článku 025087. ISSN 2053-1583 R&D Projects: GA ČR(CZ) GA15-01953S Grant - others:AVČR PPPLZ(CZ) L200401551 Institutional support: RVO:61388955 Keywords : spectroscopy * molecules * graphene * graphene enhanced Raman scattering * functionalized graphene Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 6.937, year: 2016

  4. Raman characterization of bulk ferromagnetic nanostructured graphite

    International Nuclear Information System (INIS)

    Pardo, Helena; Divine Khan, Ngwashi; Faccio, Ricardo; Araújo-Moreira, F.M.; Fernández-Werner, Luciana

    2012-01-01

    Raman spectroscopy was used to characterize bulk ferromagnetic graphite samples prepared by controlled oxidation of commercial pristine graphite powder. The G:D band intensity ratio, the shape and position of the 2D band and the presence of a band around 2950 cm -1 showed a high degree of disorder in the modified graphite sample, with a significant presence of exposed edges of graphitic planes as well as a high degree of attached hydrogen atoms.

  5. Candida parapsilosis Biofilm Identification by Raman Spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Samek, Ota; Mlynariková, K.; Bernatová, Silvie; Ježek, Jan; Krzyžánek, Vladislav; Šiler, Martin; Zemánek, Pavel; Růžička, F.; Holá, Miroslava; Mahelová, M.

    2014-01-01

    Roč. 15, č. 12 (2014), s. 23924-23935 E-ISSN 1422-0067 R&D Projects: GA MŠk(CZ) LO1212; GA MŠk ED0017/01/01; GA ČR GAP205/11/1687 Institutional support: RVO:68081731 Keywords : Raman spectroscopy * Candida parapsilosis * biofilm Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.862, year: 2014

  6. Raman Microspectroscopy of the Yeast Vacuoles

    Czech Academy of Sciences Publication Activity Database

    Bednárová, Lucie; Palacký, J.; Bauerová, Václava; Hrušková-Heidingsfeldová, Olga; Pichová, Iva; Mojzeš, P.

    2012-01-01

    Roč. 27, 5-6 (2012), s. 503-507 ISSN 0712-4813 R&D Projects: GA ČR GAP208/10/0376; GA ČR GA310/09/1945 Institutional research plan: CEZ:AV0Z40550506 Keywords : Raman microspectroscopy * living cell * yeast * vacuole * chemical composition * polyphospate * Candida albicans Subject RIV: CE - Biochemistry Impact factor: 0.530, year: 2012

  7. Raman Spectroelectrochemical Investigations of Immobilized Redox Proteins

    OpenAIRE

    Grochol, Jana

    2007-01-01

    Das Interesse an auf Elektroden immobilisierten Redoxproteinen ist in den letzten Jahren stark gestiegen. Die oberflächenverstärkte Resonanz-Raman- (SERR) Spektroelektrochemie eignet sich hervorragend zum Studium des heterogenen Elektronentransfers, da sie selektiv das Schwingungsspektrum der Redoxzentren der immobilisierten Spezies abfragt. SERR Spektroskopie kombiniert die Vorteile der Oberflächen- und Resonanz-Verstärkung, indem Hämproteine auf rauen Silberelektroden adsorbiert und in der ...

  8. In vivo Raman spectroscopy of cervix cancers

    Science.gov (United States)

    Rubina, S.; Sathe, Priyanka; Dora, Tapas Kumar; Chopra, Supriya; Maheshwari, Amita; Krishna, C. Murali

    2014-03-01

    Cervix-cancer is the third most common female cancer worldwide. It is the leading cancer among Indian females with more than million new diagnosed cases and 50% mortality, annually. The high mortality rates can be attributed to late diagnosis. Efficacy of Raman spectroscopy in classification of normal and pathological conditions in cervix cancers on diverse populations has already been demonstrated. Our earlier ex vivo studies have shown the feasibility of classifying normal and cancer cervix tissues as well as responders/non-responders to Concurrent chemoradiotherapy (CCRT). The present study was carried out to explore feasibility of in vivo Raman spectroscopic methods in classifying normal and cancerous conditions in Indian population. A total of 182 normal and 132 tumor in vivo Raman spectra, from 63 subjects, were recorded using a fiberoptic probe coupled HE-785 spectrometer, under clinical supervision. Spectra were acquired for 5 s and averaged over 3 times at 80 mW laser power. Spectra of normal conditions suggest strong collagenous features and abundance of non-collagenous proteins and DNA in case of tumors. Preprocessed spectra were subjected to Principal Component-Linear Discrimination Analysis (PCLDA) followed by leave-one-out-cross-validation. Classification efficiency of ~96.7% and 100% for normal and cancerous conditions respectively, were observed. Findings of the study corroborates earlier studies and suggest applicability of Raman spectroscopic methods in combination with appropriate multivariate tool for objective, noninvasive and rapid diagnosis of cervical cancers in Indian population. In view of encouraging results, extensive validation studies will be undertaken to confirm the findings.

  9. Raman exfoliative cytology for oral precancer diagnosis

    Science.gov (United States)

    Sahu, Aditi; Gera, Poonam; Pai, Venkatesh; Dubey, Abhishek; Tyagi, Gunjan; Waghmare, Mandavi; Pagare, Sandeep; Mahimkar, Manoj; Murali Krishna, C.

    2017-11-01

    Oral premalignant lesions (OPLs) such as leukoplakia, erythroplakia, and oral submucous fibrosis, often precede oral cancer. Screening and management of these premalignant conditions can improve prognosis. Raman spectroscopy has previously demonstrated potential in the diagnosis of oral premalignant conditions (in vivo), detected viral infection, and identified cancer in both oral and cervical exfoliated cells (ex vivo). The potential of Raman exfoliative cytology (REC) in identifying premalignant conditions was investigated. Oral exfoliated samples were collected from healthy volunteers (n=20), healthy volunteers with tobacco habits (n=20), and oral premalignant conditions (n=27, OPL) using Cytobrush. Spectra were acquired using Raman microprobe. Spectral acquisition parameters were: λex: 785 nm, laser power: 40 mW, acquisition time: 15 s, and average: 3. Postspectral acquisition, cell pellet was subjected to Pap staining. Multivariate analysis was carried out using principal component analysis and principal component-linear discriminant analysis using both spectra- and patient-wise approaches in three- and two-group models. OPLs could be identified with ˜77% (spectra-wise) and ˜70% (patient-wise) sensitivity in the three-group model while with 86% (spectra-wise) and 83% (patient-wise) in the two-group model. Use of histopathologically confirmed premalignant cases and better sampling devices may help in development of improved standard models and also enhance the sensitivity of the method. Future longitudinal studies can help validate potential of REC in screening and monitoring high-risk populations and prognosis prediction of premalignant lesions.

  10. Raman probe. Innovative technology summary report

    International Nuclear Information System (INIS)

    1999-07-01

    The Raman probe is deployed in high-level waste tanks with the cone penetrometer (CPT). These technologies are engineered and optimized to work together. All of the hardware is radiation hardened, designed for and tested in the high-radiation, highly caustic chemical environment of US Department of Energy's (DOE's) waste storage tanks. When deployed in tanks, the system is useful for rapidly assessing the species and concentrations of organic-bearing tank wastes. The CPT was originally developed for geological and groundwater applications, with sensors that measure physical parameters such as soil moisture, temperature, and pH. When deployed, it is hydraulically forced directly into the ground rather than using boring techniques utilized by rotary drilling systems. There is a separate Innovative Technology Summary Report for the CPT, so this report will focus on the changes made specifically to support the Raman probe. The most significant changes involve adapting the Raman probe for in-tank and subsurface field use and developing meaningful real-time data analysis. Testing of the complete LLNL system was conducted in a hot cell in the 222-S Laboratory at the Hanford site in summer 1997. Both instruments were tested in situ on solvent-contaminated soils (TCE and PCE) at the Savannah River Site in February and June 1998. This report describes the technology, its performance, its uses, cost, regulatory and policy issues, and lessons learned

  11. Raman spectrum of natural and synthetic stishovite

    Science.gov (United States)

    Hemley, R.J.; Mao, Ho-kwang; Chao, E.C.T.

    1986-01-01

    Raman spectra of natural and synthetic samples of stishovite have been measured with a micro-optical spectrometer system. These spectra have a pattern that is characteristic of rutile-structured oxides. The spectrum of synthetic stishovite is characterized by well-resolved bands at 231, 589, 753, and 967 cm-1, which are assigned as the B1g, Eg, A1g, and B2g fundamentals, respectively, of the first-order Raman spectrum of the ideal, ordered structure. Natural stishovite obtained from Meteor Crater, Arizona has a first-order Raman spectrum that is fully consistent with that of the synthetic material. The observed spectrum of the natural sample, however, is weaker and has bands in addition to those identified as fundamentals in the spectrum of the synthetic material. A broad band at ???475 cm-1 may be indicative of glass or contaminants derived from the extraction procedure. Alternatively, this band may arise from multiphonon scattering that is enhanced by poor crystallinity or structural disorder in the natural shocked sample. ?? 1986 Springer-Verlag.

  12. Microscopic modeling of the Raman diffusion

    International Nuclear Information System (INIS)

    Benisti, D.; Morice, O.; Gremillet, L.; Strozzi, D.

    2010-01-01

    In the typical conditions of density and electronic temperature of the Laser Megajoule (LMJ), a quantitative assessment of the Raman reflectivity requires an accurate calculation of the non-linear movement of each electron submitted to the waves propagating in the plasma. The interaction of a laser beam with a plasma generates an electronic wave shifted in frequency (that can be back-scattered) and an electron plasma wave (OPE). The OPE can give to the electrons a strongly non-linear movement by trapping them in a potential well. This non-linearity of microscopic origin has an impact on the plasma electronic density. We have succeeded in computing this plasma electronic density in a very accurate way by combining the principles of a perturbative approach with those of an adiabatic theory. Results show that the Raman diffusion can grow on temperature and density ranges more important than expected. We have predicted the threshold and the behavior of the Raman diffusion above this threshold as accurately as we had done it with a Vlasov code but by being 10000 times more rapid. (A.C.)

  13. A Raman-Based Portable Fuel Analyzer

    Science.gov (United States)

    Farquharson, Stuart

    2010-08-01

    Fuel is the single most import supply during war. Consider that the US Military is employing over 25,000 vehicles in Iraq and Afghanistan. Most fuel is obtained locally, and must be characterized to ensure proper operation of these vehicles. Fuel properties are currently determined using a deployed chemical laboratory. Unfortunately, each sample requires in excess of 6 hours to characterize. To overcome this limitation, we have developed a portable fuel analyzer capable of determine 7 fuel properties that allow determining fuel usage. The analyzer uses Raman spectroscopy to measure the fuel samples without preparation in 2 minutes. The challenge, however, is that as distilled fractions of crude oil, all fuels are composed of hundreds of hydrocarbon components that boil at similar temperatures, and performance properties can not be simply correlated to a single component, and certainly not to specific Raman peaks. To meet this challenge, we measured over 800 diesel and jet fuels from around the world and used chemometrics to correlate the Raman spectra to fuel properties. Critical to the success of this approach is laser excitation at 1064 nm to avoid fluorescence interference (many fuels fluoresce) and a rugged interferometer that provides 0.1 cm-1 wavenumber (x-axis) accuracy to guarantee accurate correlations. Here we describe the portable fuel analyzer, the chemometric models, and the successful determination of these 7 fuel properties for over 100 unknown samples provided by the US Marine Corps, US Navy, and US Army.

  14. Diagnosing breast cancer by using Raman spectroscopy

    Science.gov (United States)

    Haka, Abigail S.; Shafer-Peltier, Karen E.; Fitzmaurice, Maryann; Crowe, Joseph; Dasari, Ramachandra R.; Feld, Michael S.

    2005-08-01

    We employ Raman spectroscopy to diagnose benign and malignant lesions in human breast tissue based on chemical composition. In this study, 130 Raman spectra are acquired from ex vivo samples of human breast tissue (normal, fibrocystic change, fibroadenoma, and infiltrating carcinoma) from 58 patients. Data are fit by using a linear combination model in which nine basis spectra represent the morphologic and chemical features of breast tissue. The resulting fit coefficients provide insight into the chemical/morphological makeup of the tissue and are used to develop diagnostic algorithms. The fit coefficients for fat and collagen are the key parameters in the resulting diagnostic algorithm, which classifies samples according to their specific pathological diagnoses, attaining 94% sensitivity and 96% specificity for distinguishing cancerous tissues from normal and benign tissues. The excellent results demonstrate that Raman spectroscopy has the potential to be applied in vivo to accurately classify breast lesions, thereby reducing the number of excisional breast biopsies that are performed. Author contributions: M.F., J.C., R.R.D., and M.S.F. designed research; A.S.H. and K.E.S.-P. performed research; A.S.H. and M.F. analyzed data; and A.S.H. wrote the paper.This paper was submitted directly (Track II) to the PNAS office.Abbreviations: DEH, ductal epithelial hyperplasia; ROC, receiver operating characteristic; N/C, nuclear-to-cytoplasm.

  15. Raman study of opal at high pressure

    Science.gov (United States)

    Farfan, G.; Wang, S.; Mao, W. L.

    2011-12-01

    More commonly known for their beauty and lore as gemstones, opals are also intriguing geological materials which may have potential for materials science applications. Opal lacks a definite crystalline structure, and is composed of an amorphous packing of hydrated silica (SiO2) spheroids, which provides us with a unique nano-scaled mineraloid with properties unlike those of other amorphous materials like glass. Opals from different localities were studied at high pressure using a diamond anvil cell to apply pressure and Raman spectroscopy to look at changes in bonding as pressure was increased. We first tested different samples from Virgin Valley, NV, Spencer, ID, Juniper Ridge, OR, and Australia, which contain varying amounts of water at ambient conditions, using Raman spectroscopy to determine if they were opal-CT (semicrystalline cristobalite-trydimite volcanic origin) or opal-A (amorphous sedimentary origin). We then used x-ray diffraction and Raman spectroscopy in a diamond anvil cell to see how their bonding and structure changed under compression and to determine what effect water content had on their high pressure behavior. Comparison of our results on opal to other high pressure studies of amorphous materials like glass has implications from a geological and materials science standpoint.

  16. Field Raman Spectrograph for Environmental Analysis

    International Nuclear Information System (INIS)

    Sylvia, J.M.; Haas, J.W.; Spencer, K.M.; Carrabba, M.M.; Rauh, R.D.; Forney, R.W.; Johnston, T.M.

    1998-01-01

    The widespread contamination found across the US Department of Energy (DOE) complex has received considerable attention from the government and public alike. A massive site characterization and cleanup effort has been underway for several years and is expected to continue for several decades more. The scope of the cleanup effort ranges from soil excavation and treatment to complete dismantling and decontamination of whole buildings. To its credit, DOE has supported research and development of new technologies to speed up and reduce the cost of this effort. One area in particular has been the development of portable instrumentation that can be used to perform analytical measurements in the field. This approach provides timely data to decision makers and eliminates the expense, delays, and uncertainties of sample preservation, transport, storage, and laboratory analysis. In this program, we have developed and demonstrated in the field a transportable, high performance Raman spectrograph that can be used to detect and identify contaminants in a variety of scenarios. With no moving parts, the spectrograph is rugged and can perform many Raman measurements in situ with flexible fiber optic sampling probes. The instrument operates under computer control and a software package has been developed to collect and process spectral data. A collection of Raman spectra for 200 contaminants of DOE importance has been compiled in a searchable format to assist in the identification of unknown contaminants in the field

  17. UTI diagnosis and antibiogram using Raman spectroscopy

    Science.gov (United States)

    Kastanos, Evdokia; Kyriakides, Alexandros; Hadjigeorgiou, Katerina; Pitris, Constantinos

    2009-07-01

    Urinary tract infection diagnosis and antibiogram require a 48 hour waiting period using conventional methods. This results in ineffective treatments, increased costs and most importantly in increased resistance to antibiotics. In this work, a novel method for classifying bacteria and determining their sensitivity to an antibiotic using Raman spectroscopy is described. Raman spectra of three species of gram negative Enterobacteria, most commonly responsible for urinary tract infections, were collected. The study included 25 samples each of E.coli, Klebsiella p. and Proteus spp. A novel algorithm based on spectral ratios followed by discriminant analysis resulted in classification with over 94% accuracy. Sensitivity and specificity for the three types of bacteria ranged from 88-100%. For the development of an antibiogram, bacterial samples were treated with the antibiotic ciprofloxacin to which they were all sensitive. Sensitivity to the antibiotic was evident after analysis of the Raman signatures of bacteria treated or not treated with this antibiotic as early as two hours after exposure. This technique can lead to the development of new technology for urinary tract infection diagnosis and antibiogram with same day results, bypassing urine cultures and avoiding all undesirable consequences of current practice.

  18. Toward better understanding of the support effect: test cases for CO dissociation on Fe n /TiO 2 (110), n=4,5

    KAUST Repository

    Jedidi, Abdesslem

    2017-06-17

    The Fischer-Tropsch reaction is initiated by direct CO dissociation for Iron catalyst even though a H-assisted mechanism may be easier on other metals. In the gas phase, the CO dissociation is only favorable for Fe-clusters composed by more than 11 atoms. We show here the remarkable effect of the support TiO2(110), making this dissociation exothermic for Fe4 and Fe5 clusters. The main factor for the CO activation is the electron transfer to the reducible support. The role of the TiO2(110) support is to transform the neutral cluster into a positively charged one for which CO dissociation is easier.

  19. Fusion Nuclear Data activities at FNL, IPR

    OpenAIRE

    P. M. Prajapati; B. Pandey; S. Jakhar; C.V. S. Rao; T. K. Basu; B. K. Nayak; S. V. Suryanarayana; A. Saxena

    2015-01-01

    This paper briefly describes the current fusion nuclear data activities at Fusion Neutronics Laboratory, Institute for Plasma Research. It consist of infrastructure development for the cross-section measurements of structural materials with an accelerator based 14 MeV neutron generator and theoretical study of the cross-section using advanced nuclear reaction modular codes EMPIRE and TALYS. It will also cover the proposed surrogate experiment to measure 55Fe (n, p) 55Mn using BARC-TIFR Pel...

  20. Highly sensitive high resolution Raman spectroscopy using resonant ionization methods

    International Nuclear Information System (INIS)

    Owyoung, A.; Esherick, P.

    1984-05-01

    In recent years, the introduction of stimulated Raman methods has offered orders of magnitude improvement in spectral resolving power for gas phase Raman studies. Nevertheless, the inherent weakness of the Raman process suggests the need for significantly more sensitive techniques in Raman spectroscopy. In this we describe a new approach to this problem. Our new technique, which we call ionization-detected stimulated Raman spectroscopy (IDSRS), combines high-resolution SRS with highly-sensitive resonant laser ionization to achieve an increase in sensitivity of over three orders of magnitude. The excitation/detection process involves three sequential steps: (1) population of a vibrationally excited state via stimulated Raman pumping; (2) selective ionization of the vibrationally excited molecule with a tunable uv source; and (3) collection of the ionized species at biased electrodes where they are detected as current in an external circuit

  1. Scanning Angle Raman spectroscopy in polymer thin film characterization

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Vy H.T. [Iowa State Univ., Ames, IA (United States)

    2015-12-19

    The focus of this thesis is the application of Raman spectroscopy for the characterization of thin polymer films. Chapter 1 provides background information and motivation, including the fundamentals of Raman spectroscopy for chemical analysis, scanning angle Raman scattering and scanning angle Raman scattering for applications in thin polymer film characterization. Chapter 2 represents a published manuscript that focuses on the application of scanning angle Raman spectroscopy for the analysis of submicron thin films with a description of methodology for measuring the film thickness and location of an interface between two polymer layers. Chapter 3 provides an outlook and future directions for the work outlined in this thesis. Appendix A, contains a published manuscript that outlines the use of Raman spectroscopy to aid in the synthesis of heterogeneous catalytic systems. Appendix B and C contain published manuscripts that set a foundation for the work presented in Chapter 2.

  2. Combined raman spectrometer/laser-induced breakdown spectrometer design concept

    Science.gov (United States)

    Bazalgette Courrèges-Lacoste, Gregory; Ahlers, Berit; Boslooper, Erik; Rull-Perez, Fernando; Maurice, Sylvestre

    2017-11-01

    Amongst the different instruments that have been preselected to be on-board the Pasteur payload on ExoMars is the Raman/ Laser Induced Breakdown Spectroscopy (LIBS) instrument. Raman spectroscopy and LIBS will be integrated into a single instrument sharing many hardware commonalities. An international team under the lead of TNO has been gathered to produce a design concept for a combined Raman Spectrometer/ LIBS Elegant Bread-Board (EBB). The instrument is based on a specifically designed extremely compact spectrometer with high resolution over a large wavelength range, suitable for both Raman spectroscopy and LIBS measurements. Low mass, size and resources are the main drivers of the instrument's design concept. The proposed design concept, realization and testing programme for the combined Raman/ LIBS EBB is presented as well as background information on Raman and LIBS.

  3. UV Resonant Raman Spectrometer with Multi-Line Laser Excitation

    Science.gov (United States)

    Lambert, James L.; Kohel, James M.; Kirby, James P.; Morookian, John Michael; Pelletier, Michael J.

    2013-01-01

    A Raman spectrometer employs two or more UV (ultraviolet) laser wavel engths to generate UV resonant Raman (UVRR) spectra in organic sampl es. Resonant Raman scattering results when the laser excitation is n ear an electronic transition of a molecule, and the enhancement of R aman signals can be several orders of magnitude. In addition, the Ra man cross-section is inversely proportional to the fourth power of t he wavelength, so the UV Raman emission is increased by another fact or of 16, or greater, over visible Raman emissions. The Raman-scatter ed light is collected using a high-resolution broadband spectrograph . Further suppression of the Rayleigh-scattered laser light is provi ded by custom UV notch filters.

  4. Sensitivity of Raman spectroscopy to normal patient variability

    Science.gov (United States)

    Vargis, Elizabeth; Byrd, Teresa; Logan, Quinisha; Khabele, Dineo; Mahadevan-Jansen, Anita

    2011-11-01

    Many groups have used Raman spectroscopy for diagnosing cervical dysplasia; however, there have been few studies looking at the effect of normal physiological variations on Raman spectra. We assess four patient variables that may affect normal Raman spectra: Race/ethnicity, body mass index (BMI), parity, and socioeconomic status. Raman spectra were acquired from a diverse population of 75 patients undergoing routine screening for cervical dysplasia. Classification of Raman spectra from patients with a normal cervix is performed using sparse multinomial logistic regression (SMLR) to determine if any of these variables has a significant effect. Results suggest that BMI and parity have the greatest impact, whereas race/ethnicity and socioeconomic status have a limited effect. Incorporating BMI and obstetric history into classification algorithms may increase sensitivity and specificity rates of disease classification using Raman spectroscopy. Studies are underway to assess the effect of these variables on disease.

  5. Ultrafast stimulated Raman spectroscopy in the near-infrared region

    International Nuclear Information System (INIS)

    Takaya, Tomohisa

    2016-01-01

    A number of electronic transitions in the near-infrared wavelength region are associated with migration or delocalization of electrons in large molecules or molecular systems. Time-resolved near-infrared Raman spectroscopy will be a powerful tool for investigating the structural dynamic of samples with delocalized electrons. However, the sensitivity of near-infrared spontaneous Raman spectrometers is significantly low due to an extremely small probability of Raman scattering and a low sensitivity of near-infrared detectors. Nonlinear Raman spectroscopy is one of the techniques that can overcome the sensitivity problems and enable us to obtain time-resolved Raman spectra in resonance with near-IR transitions. In this article, the author introduces recent progress of ultrafast time-resolved near-infrared stimulated Raman spectroscopy. Optical setup, spectral and temporal resolution, and applications of the spectrometer are described. (author)

  6. Raman spectra of ordinary and deuterated liquid ammonias; Spectres Raman des ammoniacs ordinaire et deuteries liquides

    Energy Technology Data Exchange (ETDEWEB)

    Ceccaldi, M; Leicknam, J P [Commissariat a l' Energie Atomique, 91 - Saclay (France). Centre d' Etudes Nucleaires, direction des materiaux et des combustibles nucleaires, departement de physico-chimie, service des isotopes stables, service de spectrometrie de masse

    1968-12-01

    The three deuterated ammonia molecules, as well as ordinary ammonia, have been examined in the liquid state by Raman spectroscopy using a high-pressure cell described elsewhere. This work thus completes the infrared spectrometry studies. We have examined the NH and ND valency absorption regions. The polarization measurements and isotope effect considerations make it possible to confirm most of the attributions recently proposed for interpreting the infrared spectra of the four isotopic molecules: the apparent disagreement between the NH{sub 3} and ND{sub 3} spectra obtained in this region by infrared and Raman spectroscopy is discussed: by the first technique the number of bands in the spectra corresponds well to the theoretically expected number, and the relative intensities conform more or less to expectations; the Raman spectra however have a strong supplementary band in the same region, produced by a Fermi resonance; it is possible to explain, from theoretical considerations, why this resonance appears so easily in the Raman spectrum, whereas it is detected in the infrared only by a very detailed analysis of the effects of solvents on the ammonia. (authors) [French] Les trois ammoniacs deuteries, ainsi que l'ammoniac ordinaire, sont examines a l'etat liquide par spectrometrie Raman, a l'aide d'une cuve haute pression decrite par ailleurs. Ce travail complete donc les etudes effectuees par spectrometrie infra-rouge. Nous avons examine les regions d'absorption de valence NH et ND. Les mesures de polarisation et des considerations sur les effets isotopiques permettent de confirmer la plupart des attributions proposees recemment pour interpreter les spectres infra-rouges des quatre molecules isotopiques: on discute egalement l'apparent desaccord entre les spectres de NH{sub 3} et de ND{sub 3} obtenus dans cette region par infra-rouge et Raman: par la premiere technique le nombre de bandes relevees sur les spectres correspond bien au nombre theoriquement attendu et

  7. Combining surface enhanced Raman scattering (SERS) and high-performance thin-layer chromatography (HPTLC)

    Science.gov (United States)

    Koglin, E.

    A new method for preparing SERS active surfaces using silver colloidal spheres deposited on HPTLC plates, used for thin-layer chromatography, is discussed in detail. The sensitivity of these activated HPTLC plates is so high that in-situ vibrational investigations of chromatogram spots are possible at the nanogram level. The HPTLC/SERS spectra of purine, benzoic acid and 1-nitro-pyrene adsorbed on silver colloidal activated silica gel plates are measured in the nanogram region. In addition we also report in this paper on the results of a feasibility study performed to evaluate the analytical potential of micro-Raman spectroscopy (triple monochromator, multichannel detection system) in SERS/HPTLC spot characterization. It permits the acquisition of Raman spectra from HPTLC spots down to 1 μm in size or other forms of microsamples approaching the picogram level in mass.

  8. Rationale for single molecule detection by means of Raman spectroscopy

    International Nuclear Information System (INIS)

    Gaponenko, S.V.; Guzatov, D.V.

    2009-01-01

    A consistent quantum electrodynamical description is proposed of Raman scattering of light by a molecule in a medium with a modified photon density of states. Enhanced local density of states near a metal nanobody is shown to increase a scattering rate by several orders of magnitude, thus providing a rationale for experimental detection of single molecules by means of Raman spectroscopy. For an ellipsoidal particle 10 14 -fold enhancement of the Raman scattering cross-section is obtained. (authors)

  9. Preventing Raman Lasing in High-Q WGM Resonators

    Science.gov (United States)

    Savchenkov, Anatoliy; Matsko, Andrey; Strekalov, Dmitry; Maleki, Lute

    2007-01-01

    A generic design has been conceived to suppress the Raman effect in whispering- gallery-mode (WGM) optical resonators that have high values of the resonance quality factor (Q). Although it is possible to exploit the Raman effect (even striving to maximize the Raman gain to obtain Raman lasing), the present innovation is intended to satisfy a need that arises in applications in which the Raman effect inhibits the realization of the full potential of WGM resonators as frequency-selection components. Heretofore, in such applications, it has been necessary to operate high-Q WGM resonators at unattractively low power levels to prevent Raman lasing. (The Raman-lasing thresholds of WGM optical resonators are very low and are approximately proportional to Q(sup -2)). Heretofore, two ways of preventing Raman lasting at high power levels have been known, but both entail significant disadvantages: A resonator can be designed so that the optical field is spread over a relatively large mode volume to bring the power density below the threshold. For any given combination of Q and power level, there is certain mode volume wherein Raman lasing does not start. Unfortunately, a resonator that has a large mode volume also has a high spectral density, which is undesirable in a typical photonic application. A resonator can be cooled to the temperature of liquid helium, where the Raman spectrum is narrower and, therefore, the Raman gain is lower. However, liquid-helium cooling is inconvenient. The present design overcomes these disadvantages, making it possible to operate a low-spectral-density (even a single-mode) WGM resonator at a relatively high power level at room temperature, without risk of Raman lasing.

  10. Investigations of a Dual Seeded 1178 nm Raman Laser System

    Science.gov (United States)

    2016-01-14

    was obtained by Raman amplification of a distributed feedback diode laser in a variably strained polarization- maintaining fiber with a record-high...Calia, D.B., “50W CW visible laser source at 589 nm obtained via frequency doubling of three coherently combined narrow-band Raman fiber amplifiers...AFRL-RD-PS- TP-2016-0009 AFRL-RD-PS- TP-2016-0009 INVESTIGATIONS OF A DUAL SEEDED 1178 NM RAMAN LASER SYSTEM Leanne Henry, et al. 14 January

  11. Raman Spectrometer for the Characterization of Advanced Materials and Nanomaterials

    Science.gov (United States)

    2016-04-18

    SECURITY CLASSIFICATION OF: The grant focused on the purchase of a Renishaw InVia Raman microscope to support and enhance the research in...laser. The system includes an accessory for polarization (for 785 nm) and an optical cable that allows external Raman measurements. The manufacturer...UU 18-04-2016 1-Feb-2015 31-Jan-2016 Final Report: Raman Spectrometer for the Characterization of Advanced Materials and Nanomaterials The views

  12. Raman scattering in condensed media placed in photon traps

    Science.gov (United States)

    Goncharov, A. P.; Gorelik, V. S.; Krawtsow, A. V.

    2007-11-01

    A new type of resonator cells (photon traps) has been worked out, which ensures the Raman opalescence regime (i.e., the conditions under which the relative Raman scattering intensity at the outlet of the cells increases significantly as compared to the exciting line intensity. The Raman scattering spectra of a number of organic and inorganic compounds placed in photon traps are studied under pulse-periodic excitation by a copper-vapor laser.

  13. Raman microspectroscopy of nanodiamond-induced structural changes in albumin.

    Science.gov (United States)

    Svetlakova, Anastasiya S; Brandt, Nikolay N; Priezzhev, Alexander V; Chikishev, Andrey Yu

    2015-04-01

    Nanodiamonds (NDs) are promising agents for theranostic applications due to reported low toxicity and high biocompatibility, which is still being extensively tested on cellular, tissue, and organism levels. It is presumed that for experimental and future clinical applications, NDs will be administered into the organism via the blood circulation system. In this regard, the interaction of NDs with blood components needs to be thoroughly studied. We studied the interaction of carboxylated NDs (cNDs) with albumin, one of the major proteins of blood plasma. After 2-h long in vitro incubation in an aqueous solution of the protein, 100-nm cNDs were dried and the dry samples were studied with the aid of Raman microspectroscopy. The spectroscopic data indicate significant conformational changes that can be due to cND–protein interaction. A possible decrease in the functional activity of albumin related to the conformational changes must be taken into account in the in vivo applications.

  14. Raman microspectroscopy of nanodiamond-induced structural changes in albumin

    Science.gov (United States)

    Svetlakova, Anastasiya S.; Brandt, Nikolay N.; Priezzhev, Alexander V.; Chikishev, Andrey Yu.

    2015-04-01

    Nanodiamonds (NDs) are promising agents for theranostic applications due to reported low toxicity and high biocompatibility, which is still being extensively tested on cellular, tissue, and organism levels. It is presumed that for experimental and future clinical applications, NDs will be administered into the organism via the blood circulation system. In this regard, the interaction of NDs with blood components needs to be thoroughly studied. We studied the interaction of carboxylated NDs (cNDs) with albumin, one of the major proteins of blood plasma. After 2-h long in vitro incubation in an aqueous solution of the protein, 100-nm cNDs were dried and the dry samples were studied with the aid of Raman microspectroscopy. The spectroscopic data indicate significant conformational changes that can be due to cND-protein interaction. A possible decrease in the functional activity of albumin related to the conformational changes must be taken into account in the in vivo applications.

  15. Raman scattering and band-gap variations of Al-doped ZnO nanoparticles synthesized by a chemical colloid process

    International Nuclear Information System (INIS)

    Lo, Shih-Shou; Huang, Dison; Tu, Chun Hsiang; Hou, Chia-Hung; Chen, Chii-Chang

    2009-01-01

    This study synthesizes Al-doped ZnO (AZO) nanoparticles using a chemical colloid process. Raman scattering analysis shows that Al doping increases the lattice defects and induces Raman vibration modes of 651 cm -1 . The Raman shift of the active mode E 2 (high) of AZO nanoparticles shows the presence and increase in the stress in nanoparticles when the Al dopant concentration increases. Room-temperature photoluminescence (RT-PL) spectra of synthesized AZO nanoparticles exhibit strong UV emissions near the band edges. The RT-PL peak shifts to a higher photon energy region as the Al concentration increases, indicating a broadening of the band gap.

  16. Glucose oxidase probe as a surface-enhanced Raman scattering sensor for glucose.

    Science.gov (United States)

    Qi, Guohua; Wang, Yi; Zhang, Biying; Sun, Dan; Fu, Cuicui; Xu, Weiqing; Xu, Shuping

    2016-10-01

    Glucose oxidase (GOx) possessing a Raman-active chromophore (flavin adenine dinucleotide) is used as a signal reporter for constructing a highly specific "turn off" surface-enhanced Raman scattering (SERS) sensor for glucose. This sensing chip is made by the electrostatic assembly of GOx over silver nanoparticle (Ag NP)-functionalized SERS substrate through a positively charged polyelectrolyte linker under the pH of 6.86. To trace glucose in blood serum, owing to the reduced pH value caused by the production of gluconic acid in the GOx-catalyzed oxidation reaction, the bonding force between GOx and polyelectrolyte weakens, making GOx drop off from the sensing chip. As a result, the SERS intensity of GOx on the chip decreases along with the concentration of glucose. This glucose SERS sensor exhibits excellent selectivity based on the specific GOx/glucose catalysis reaction and high sensitivity to 1.0 μM. The linear sensing range is 2.0-14.0 mM, which also meets the requirement on the working range of the human blood glucose detection. Using GOx as a probe shows superiority over other organic probes because GOx almost has no toxicity to the biological system. This sensing mechanism can be applied for intracellular in vivo SERS monitoring of glucose in the future. Graphical abstract Glucose oxidase is used as a Raman signal reporter for constructing a highly specific glucose surface-enhanced Raman scattering (SERS) sensor.

  17. Study of nanophase TiO2 grain boundaries by Raman spectroscopy

    International Nuclear Information System (INIS)

    Melendres, C.A.; Narayanasamy, A.; Maroni, V.A.; Siegel, R.W.

    1989-01-01

    Raman spectra have been recorded for as-consolidated nanophase TiO 2 samples with differing grain sizes and on samples annealed in air at a variety of temperatures up to 1273 K. The nanophase samples with the smallest grain size, about 12 nm average diameter, could have 15-30% of their atoms in grain boundaries; nevertheless, the strong Raman-active lines representative of the rutile structure were found to dominate all of the observed spectra, independent of grain size and annealing treatment. These lines were quite broad in the as-consolidated nanophase samples, equally in 12 nm and 100 nm grain-size compacts, but sharpened considerably upon annealing at elevated temperatures. The Raman data give no indication of grain-boundary structures in nanophase TiO 2 that are significantly different from those in conventional polycrystals. However, defect structures within the grains, which anneal out at elevated temperatures, are evidenced by changes in the Raman spectra. 15 refs., 2 figs

  18. Theranostic Gold Nanoantennas for Simultaneous Multiplexed Raman Imaging of Immunomarkers and Photothermal Therapy.

    Science.gov (United States)

    Webb, Joseph A; Ou, Yu-Chuan; Faley, Shannon; Paul, Eden P; Hittinger, Joseph P; Cutright, Camden C; Lin, Eugene C; Bellan, Leon M; Bardhan, Rizia

    2017-07-31

    In this study, we demonstrate the theranostic capability of actively targeted, site-specific multibranched gold nanoantennas (MGNs) in triple-negative breast cancer (TNBC) cells in vitro. By utilizing multiplexed surface-enhanced Raman scattering (SERS) imaging, enabled by the narrow peak widths of Raman signatures, we simultaneously targeted immune checkpoint receptor programmed death ligand 1 (PDL1) and the epidermal growth factor receptor (EGFR) overexpressed in TNBC cells. A 1:1 mixture of MGNs functionalized with anti-PDL1 antibodies and Raman tag 5,5-dithio-bis-(2-nitrobenzoic acid) (DTNB) and MGNs functionalized with anti-EGFR antibodies and Raman tag para -mercaptobenzoic acid ( p MBA) were incubated with the cells. SERS imaging revealed a cellular traffic map of MGN localization by surface binding and receptor-mediated endocytosis, enabling targeted diagnosis of both biomarkers. Furthermore, cells incubated with anti-EGFR- p MBA-MGNs and illuminated with an 808 nm laser for 15 min at 4.7 W/cm 2 exhibited photothermal cell death only within the laser spot (indicated by live/dead cell fluorescence assay). Therefore, this study not only provides an optical imaging platform that can track immunomarkers with spatiotemporal control but also demonstrates an externally controlled light-triggered therapeutic approach enabling receptor-specific treatment with biocompatible theranostic nanoprobes.

  19. Surface enhanced Raman spectroscopy platform based on graphene with one-year stability

    Energy Technology Data Exchange (ETDEWEB)

    Tite, Teddy [Univ Lyon, UJM-Saint-Etienne, CNRS, Laboratoire Hubert Curien UMR 5516, 18 rue Professeur Benoit Lauras, F-42000 Saint-Etienne (France); Barnier, Vincent [Ecole Nationale Supérieure des Mines, CNRS, Laboratoire Georges Friedel UMR 5307, 158 cours Fauriel, F-42023 Saint-Etienne (France); Donnet, Christophe, E-mail: Christophe.Donnet@univ-st-etienne.fr [Univ Lyon, UJM-Saint-Etienne, CNRS, Laboratoire Hubert Curien UMR 5516, 18 rue Professeur Benoit Lauras, F-42000 Saint-Etienne (France); Loir, Anne–Sophie; Reynaud, Stéphanie; Michalon, Jean–Yves; Vocanson, Francis; Garrelie, Florence [Univ Lyon, UJM-Saint-Etienne, CNRS, Laboratoire Hubert Curien UMR 5516, 18 rue Professeur Benoit Lauras, F-42000 Saint-Etienne (France)

    2016-04-01

    We report the synthesis, characterization and use of a robust surface enhanced Raman spectroscopy platform with a stable detection for up to one year of Rhodamine R6G at a concentration of 10{sup −6} M. The detection of aminothiophenol and methyl parathion, as active molecules of commercial insecticides, is further demonstrated at concentrations down to 10{sup −5}–10{sup −6} M. This platform is based on large scale textured few-layer (fl) graphene obtained without any need of graphene transfer. The synthesis route is based on diamond-like carbon films grown by pulsed laser deposition, deposited onto silicon substrates covered by a Ni layer prior to diamond-like carbon deposition. The formation of fl-graphene film, confirmed by Raman spectroscopy and mapping, is obtained by thermal annealing inducing the diffusion of Ni atoms and the concomitant formation of nickel silicide compounds, as identified by Raman and Auger electron spectroscopies. The textured fl-graphene films were decorated with gold nanoparticles to optimize the efficiency of the SERS device to detect organic molecules at low concentrations. - Highlights: • Synthesis of graphene film from amorphous carbon by pulsed laser deposition with nickel catalyst • Large scale textured graphene with nanoscale roughness obtained through nickel silicide formation • Films used for surface enhanced Raman spectroscopy detection of organophosphate compounds • Stability of the SERS platforms over up to one year.

  20. Excited-state structure and electronic dephasing time of Nile blue from absolute resonance Raman intensities

    Science.gov (United States)

    Lawless, Mary K.; Mathies, Richard A.

    1992-06-01

    Absolute resonance Raman cross sections are measured for Nile blue 690 perchlorate dissolved in ethylene glycol with excitation at 514, 531, and 568 nm. These values and the absorption spectrum are modeled using a time-dependent wave packet formalism. The excited-state equilibrium geometry changes are quantitated for 40 resonance Raman active modes, seven of which (590, 1141, 1351, 1429, 1492, 1544, and 1640 cm-1 ) carry 70% of the total resonance Raman intensity. This demonstrates that in addition to the prominent 590 and 1640 cm-1 modes, a large number of vibrational degrees of freedom are Franck-Condon coupled to the electronic transition. After exposure of the explicit vibrational progressions, the residual absorption linewidth is separated into its homogeneous [350 cm-1 half-width at half-maximum (HWHM)] and inhomogeneous (313 cm-1 HWHM) components through an analysis of the absolute Raman cross sections. The value of the electronic dephasing time derived from this study (25 fs) compares well to previously published results. These data should be valuable in multimode modeling of femtosecond experiments on Nile blue.