Journal of Raman Spectroscopy

Cover image for Journal of Raman Spectroscopy

January 2010

Volume 41, Issue 1

Pages 1–119

  1. Editorials

    1. Top of page
    2. Editorials
    3. Rapid Communications
    4. Research Articles
    1. New editorial structure and focus for the Journal (page 1)

      Laurence A. Nafie

      Article first published online: 13 JAN 2010 | DOI: 10.1002/jrs.2615

  2. Rapid Communications

    1. Top of page
    2. Editorials
    3. Rapid Communications
    4. Research Articles
    1. Study of the ‘Raman spectroscopic signature of life’ in mitochondria isolated from budding yeast (pages 2–3)

      Liang-da Chiu, Masahiro Ando and Hiro-o Hamaguchi

      Article first published online: 1 SEP 2009 | DOI: 10.1002/jrs.2425

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      The ‘Raman spectroscopic signature of life’ is found to exist and shows similar behaviors as in living yeast cells. Therefore, mitochondrial isolation is considered to be a useful technique in elucidating the origin of this mysterious Raman signal.

  3. Research Articles

    1. Top of page
    2. Editorials
    3. Rapid Communications
    4. Research Articles
    1. Use of atomic layer deposition to improve the stability of silver substrates for in situ, high-temperature SERS measurements (pages 4–11)

      Joshy F. John, Shannon Mahurin, Sheng Dai and Michael J. Sepaniak

      Article first published online: 18 AUG 2009 | DOI: 10.1002/jrs.2395

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      The uniform deposition of a thin, protective alumina film by atomic layer deposition onto a SERS-active silver substrate improves the temporal stability of the substrate increasing the usable shelf life. In addition, the coating enables SERS measurements at higher temperatures compared to bare silver films, which is useful in a variety of applications. As a demonstration, the coated silver was used to measure the dehydration of calcium nitrate tetrahydrate at high temperature.

    2. Surface-enhanced Raman micro-spectroscopy of DNA/RNA bases adsorbed on pyroxene rocks as a test of in situ search for life traces on Mars (pages 12–15)

      Maurizio Muniz-Miranda, Cristina Gellini, Pier Remigio Salvi and Marco Pagliai

      Article first published online: 25 AUG 2009 | DOI: 10.1002/jrs.2398

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      This paper proposes an application of SERS spectroscopy to the remote inquiry of life traces on Mars. Adenine, guanine and a microRNA chain have been analyzed as test ligands for identifying traces of nucleic acids in Martian rocks and sediments. The SERS activation is ensured by deposition of silver colloidal nanoparticles onto pyroxene/nucleobase substrates.

    3. Micro Raman spectroscopy for monitoring alterations between human skin keratinocytes HaCaT and their tumorigenic derivatives A5RT3—toward a Raman characterization of a skin carcinoma model (pages 16–26)

      P. Donfack, M. Rehders, K. Brix, P. Boukamp and A. Materny

      Article first published online: 9 SEP 2009 | DOI: 10.1002/jrs.2400

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      Raman scattering reveals intrinsic differences between non-tumorigenic HaCaT and tumorigenic A5RT3 cells. Differences interestingly scale linearly with the passage number of HaCaT, suggesting a correlation of tumorigenesis with their primarily genetic instabilities. HaCaT cells show greater lipid content and proteins mainly in ordered a-helical secondary structures, while A5RT3 have partly degraded and disordered proteins evidenced by the decreased signal intensity of the amide I, amide III and collagen α-helical marker bands, and exhibit changes in the phenylalanine ring-mode, indicating notable intracellular chemical environment modification partly due to modified lipid profiles.

    4. Micro-Raman spectroscopy and VP-SEM/EDS applied to the identification of mineral particles and fibres in histological sections (pages 27–32)

      Caterina Rinaudo, Mario Allegrina, Elisa Fornero, Maya Musa, Alessandro Croce and Donata Bellis

      Article first published online: 17 AUG 2009 | DOI: 10.1002/jrs.2403

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      Micro-Raman spectroscopy and VP-SEM/EDS are employed to characterise inorganic particles/fibres directly in histological sections used for the cytological diagnosis. The results demonstrate that micro-Raman spectroscopy is a powerful technique to recognise the mineral phases of the fibres/particles incorporated in the biological system. By coupling the two techniques, it is possible to study the structural-chemical modifications that take place in the inorganic phases in contact with the cellular system.

    5. Characterisation of FXTAS related isolated intranuclear protein inclusions using laser tweezers Raman spectroscopy (pages 33–39)

      Tobias J. Moritz, James A. Brunberg, Denise M. Krol, Sebastian Wachsmann-Hogiu, Stephen M. Lane and James W. Chan

      Article first published online: 1 SEP 2009 | DOI: 10.1002/jrs.2436

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      The vibrational modes of optically trapped, Fragile X-associated tremor/ataxia syndrome (FXTAS) related, isolated intra-nuclear protein inclusions are reported and analysed to determine protein composition and structure. The Raman spectroscopic results are correlated with previous mass spectrometry (MS) studies. Several potential spectroscopic markers for FXTAS are identified.

    6. Incorporation of Ag nanoparticles into membrane mimetic systems composed by phospholipid layer-by-layer (LbL) films to achieve surface-enhanced Raman scattering as a tool in drug interaction studies (pages 40–48)

      Pedro Henrique Benites Aoki, Priscila Alessio, Jose Antonio De Saja and Carlos José Leopoldo Constantino

      Article first published online: 21 AUG 2009 | DOI: 10.1002/jrs.2415

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      Combining both the anionic phospholipid DPPG and negative Ag nanoparticles (AgNP), it was possible to form multilayered layer-by-layer (LbL) films. This approach allowed us applying SERRS to investigate a phenothiazine pharmaceutical compound within LbL films, which work as a biological membrane mimetic system.

    7. Growth profile of stimulated Raman anti-Stokes scattering influenced by fluorescence seeding in liquid-core optical fiber (pages 49–52)

      Zhi-Wei Men, Wen-Hui Fang, Zuo-Wei Li, Xiu-Ping Sun, Shu-Qin Gao and Guo-Hui Lu

      Article first published online: 19 AUG 2009 | DOI: 10.1002/jrs.2416

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      It was demonstrated that the growth profile of stimulated Raman Stokes and anti-Stokes scattering of CS2 was influenced by the fluorescence seeding all-trans-β-carotene and rhodamine-B in liquid-core optical fibers. The intensity of the first-order Stokes signal was far away from the saturation intensity when the first-order anti-Stokes signal was built up, which was different from the neat CS2 because of the fluorescence enhancement effect. Simultaneously, the growth profile of the first-order Stokes and anti-Stokes signals was theoretically calculated with and without the fluorescence seeding by the coupled wave differential equations.

    8. Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 3-hydroxy-2-naphthoic acid hydrazide (pages 53–62)

      J. Karpagam, N. Sundaraganesan, S. Sebastian, S. Manoharan and M. Kurt

      Article first published online: 8 SEP 2009 | DOI: 10.1002/jrs.2408

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      A complete vibrational, HOMO, LUMO analysis of 3-hydroxy-2-naphthoic acid hydrazide was performed by combining the experimental and theoretical information using Pulay's density functional theory based quantum chemical approach.

    9. Lichen colonization of an active volcanic environment: a Raman spectroscopic study of extremophile biomolecular protective strategies (pages 63–67)

      Susana E. Jorge-Villar and Howell G. M. Edwards

      Article first published online: 23 FEB 2009 | DOI: 10.1002/jrs.2204

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      Lichen colonization in lava and wood substrata: Sixteen lichen specimens were analysed by Raman spectroscopy. Five protective pigments, whewellite and whedellite as well as chlorophyll and carotene were identified. The presence or absence of a particular pigment or oxalate is related with different protective strategies.

    10. Micro-Raman spectroscopy of decorated pottery from the Iberian archaeological site of Puente Tablas (Jaén, Spain, 7th–4th century B.C.) (pages 68–73)

      D. Parras, P. Vandenabeele, A. Sánchez, M. Montejo, L. Moens and N. Ramos

      Article first published online: 1 SEP 2009 | DOI: 10.1002/jrs.2405

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      Ceramic fragments of type Real (shown in the picture) and others recovered from the archaeological excavation in the oppidum Puente Tablas were examined by micro-Raman spectroscopy, allowing the identification of amorphous carbon, hematite and goethite as the pigments used for its decoration.

    11. Raman spectroscopic study of the arsenite mineral vajdakite [(Mo6+O2)2(H2O)2As3+2O5]·H2O (pages 74–77)

      Jiří Čejka, Silmarilly Bahfenne, Ray L. Frost and Jiří Sejkora

      Article first published online: 17 APR 2009 | DOI: 10.1002/jrs.2288

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      Raman spectra of vajdakite, [(MoO2)2(H2O)2(As2O3)]·H2O, were studied and interpreted in terms of the structure of the mineral. The presence of dimolybdenyl and diarsenite units and of hydrogen bonded water molecules was inferred from the Raman spectra.

    12. Raman spectroscopic study of synthetic reevesite and cobalt substituted reevesite (Ni,Co)6Fe2(OH)16(CO3)·4H2O (pages 78–83)

      Ray L. Frost, Kathleen H. Bakon and Sara J. Palmer

      Article first published online: 8 APR 2009 | DOI: 10.1002/jrs.2280

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      Raman spectroscopy, complemented with infrared spectroscopy of compounds, equivalent to reevesite of the formula (Ni,Co)6Fe2(OH)16 (CO3)·4H2O with the ratio of Ni/Co ranging from 0 to 1, and the spectra related to the molecular structure of the synthesised mineral have been obtained. Variation in the position of the carbonate anion stretching vibrations occurs and is dependent on the Ni/Co ratio.

    13. Raman tensor elements for multiferroic BiFeO3 with rhombohedral R3c symmetry (pages 84–87)

      Alessandro Alan Porporati, Keisuke Tsuji, Matjaz Valant, Anna-Karin Axelsson and Giuseppe Pezzotti

      Article first published online: 19 AUG 2009 | DOI: 10.1002/jrs.2394

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      A quantitative assessment of the Raman spectrum emitted from a coarse-grained polycrystal of multiferroic BiFeO3 has been carried out by means of a polarized Raman microprobe. The dependence of the intensity of Raman phonon modes has been first theoretically modeled as a function of crystal rotation. Then, the Raman tensor elements have been experimentally determined from the analysis of the Ag and Eg vibrational modes.

    14. Low-temperature synthesis and Raman scattering of Mn-doped ZnO nanopowders (pages 88–92)

      Boqian Yang, Ashok Kumar, Noel Upia, Peter Feng and R. S. Katiyar

      Article first published online: 15 SEP 2009 | DOI: 10.1002/jrs.2397

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      Nanocrystalline Mn-doped zinc oxides Zn1−xMnxO (x = 0–0.10) were synthesized by the sol–gel technique at low temperature. Temperature-dependent Raman spectra of ZnO nanopowder were carried out from 25 to 800 °C to check the presence of high luminescence at room-temperature Raman spectrum of ZnO powder. The suppression of luminescence at elevated temperature indicates that the surface-to-volume ratio of nanoparticles decreases with increase in temperature, which in turns increases the particle size above the critical limit.

    15. Crystal structures and phonon modes of Ba(Ca1/2W1/2)O3, Ba(Ca1/2Mo1/2)O3 and Ba(Sr1/2W1/2)O3 complex perovskites investigated by Raman scattering (pages 93–97)

      Anderson Dias, Kisla P. F. Siqueira and Roberto L. Moreira

      Article first published online: 18 AUG 2009 | DOI: 10.1002/jrs.2399

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      Raman analysis of Ba2SrWO6 double perovskites fired at 1300 °C. The spectrum shows 12 Raman-active bands, compatible with a monoclinic I2/m structure.

    16. Experimental vibrational spectra (Raman, infrared) and DFT calculations on monomeric and dimeric structures of 2- and 6-bromonicotinic acid (pages 98–105)

      Mehmet Karabacak, Mehmet Cinar, Sahin Ermec and Mustafa Kurt

      Article first published online: 3 AUG 2009 | DOI: 10.1002/jrs.2386

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      Experimental and theoretical studies on molecular structures of 2-bromonicotinic acid and 6-bromonicotinic acid are presented. The FT-IR (4000–400 cm−1 region) and FT-Raman (3500–50 cm−1 region) spectra have been recorded and the detailed vibrational assignments are reported for the first time. The most stable monomer conformers of the compounds were determined and according to these results the dimer conformations were analyzed with DFT/B3LYP using 6-311++G(d,p) level of theory. Reliable vibrational assignments were made on the basis of total energy distribution (TED), calculated with a scaled quantum mechanical (SQM) method.

    17. Cadmium–carbon wavenumber analysis using B3LYP level theory calculations in investigations of dimethylcadmium decomposition (pages 106–112)

      Young Seok Kim, Yong Sun Won, Nicoló Omenetto and Timothy J. Anderson

      Article first published online: 18 NOV 2009 | DOI: 10.1002/jrs.2402

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      The basis set selection for the decomposition chemistry of Cd(CH3)2 was examined. Analyses demonstrated that the SDD/STO-3G/3-21G combination for Cd/C/H atoms best reproduces experimentally reported Cd-C vibrational stretchings of Cd(CH3)2 and •CdCH3. The selected basis set was used to examine other possible reactions, and Raman experiments successfully detected one of the suggested intermediates (CdCH3)2.

    18. Vibrational spectroscopic studies and ab initio calculations of phenyl phosphate disodium salt (pages 113–119)

      P. L. Anto, Ruby John Anto, Hema Tresa Varghese, C. Yohannan Panicker and Daizy Philip

      Article first published online: 19 AUG 2009 | DOI: 10.1002/jrs.2406

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      The FT-IR and FT-Raman spectra of phenyl phosphate disodium salt were recorded and analyzed. The surface-enhanced Raman scattering spectrum was recorded in silver colloid. The vibrational wavenumbers of the title compound were computed using the Hartree-Fock/6-31G* basis and compared with the experimental data. The molecule is adsorbed on the silver surface with the benzene ring in a tilted orientation.

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