Journal of Raman Spectroscopy

Cover image for Vol. 47 Issue 6

Early View (Online Version of Record published before inclusion in an issue)

Impact Factor: 2.395

ISI Journal Citation Reports © Ranking: 2015: 15/43 (Spectroscopy)

Online ISSN: 1097-4555

  1. Mini reviews

    1. Plasmon-driven catalysis in aqueous solutions probed by SERS spectroscopy

      Lin Cui, Xin Ren, Xianzhong Yang, Peijie Wang, Yingqi Qu, Wenjie Liang and Mengtao Sun

      Version of Record online: 27 MAY 2016 | DOI: 10.1002/jrs.4939

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      We review plasmon-driven catalysis using surface-enhanced Raman spectroscopy (SERS) spectroscopy under aqueous conditions, including the home-made experimental device, the advantages of plasmon-driven catalysis using SERS spectroscopy under aqueous conditions than that in atmosphere environment. Also, we review recent experimental results under different experimental conditions under aqueous condition, which provides the possibility to reveal the mechanism surface plasmon catalysis during different reactions.

  2. Research articles

    1. Temperature-dependent Raman spectroscopic studies of microstructure present in dipotassium molybdate crystals and their melts

      Min Wang, Jinglin You, A. A. Sobol, Jian Wang, Jun Wu and Xiumei Lv

      Version of Record online: 27 MAY 2016 | DOI: 10.1002/jrs.4948

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      Basic structural units and the corresponding cluster forms in molten K2MonO3n+1 (n = 1, 2, 3) were studied by in situ high-temperature Raman spectroscopic studies and theoretical calculations. Structural units of [MoO4]2−, [Mo2O7]2−, and [Mo3O10]2− were shown to principally exist in molten K2MoO4, K2Mo2O7, and K2Mo3O10, respectively. The mechanisms of the microstructural evolution of K2MonO3n+1 (n = 1, 2, 3) crystals while being melted are schematically illustrated.

    2. SERS and Raman imaging as a new tool to monitor dyeing on textile fibres

      Sara Fateixa, Manon Wilhelm, Helena I. S. Nogueira and Tito Trindade

      Version of Record online: 25 MAY 2016 | DOI: 10.1002/jrs.4947

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      Surface enhanced Raman scattering and Raman imaging were used with advantage in the monitoring of antimicrobial textile fibre dyeing. Our results show that by using SERS imaging, it is possible to distinguish the local distribution of Ag nanoparticles in the fibres and have an enhanced detection of the organic dye (methylene blue) on the textile surface


  3. Short communications

    1. Defects band enhanced by resonance Raman effect in praseodymium doped CeO2

      Alexandre Westermann, Christophe Geantet, Philippe Vernoux and Stéphane Loridant

      Version of Record online: 25 MAY 2016 | DOI: 10.1002/jrs.4943

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      The origin of the Raman defects band at 570 cm−1 of praseodymium-doped ceria was revisited from in situ spectra using six different exciting lines between 458 and 785 nm at low temperatures after oxidizing or reducing treatment. The observation of overtones and the fast change of relative intensity with excitation wavelength were explained by a resonance effect around 514 nm, which involved a Pr4+ containing defect stabilized at the oxidized state.

  4. Rapid communications

    1. Characterizing the age of ancient Egyptian manuscripts through micro-Raman spectroscopy

      Sarah Goler, James T. Yardley, Angela Cacciola, Alexis Hagadorn, David Ratzan and Roger Bagnall

      Version of Record online: 6 MAY 2016 | DOI: 10.1002/jrs.4945

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      We report the first in-depth, systematic study of the Raman spectra of black pigments on ancient Egyptian papyri with well-specified dates from the 4th century bce to the 10th century ce. The observed spectra are all characteristic of carbon black, but the shapes of the spectra change systematically with the manuscript date. This investigation offers new insights into the ink materials used in ancient Egypt and provides a conceptual basis for a new nondestructive means for estimating the dates of ancient papyri.

  5. Research articles

    1. Raman study of thaumasite Ca3Si(OH)6(SO4)(CO3)⋅12H2O at high pressure

      S. V. Goryainov

      Version of Record online: 5 MAY 2016 | DOI: 10.1002/jrs.4936

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      Using Raman spectroscopy, thaumasite compressed in water–alcohol and KBr media at high pressure (up to ~7 GPa) was studied. Behavior of thaumasite in both media was similar: several phase transformations in thaumasite at high pressures (4.4, 4.9 and 5.4 GPa in water–alcohol and close transitions in KBr medium) were identified by abrupt changes in characteristic Raman bands, including the strong band at 1074 cm−1. These transitions are assumed to be polymorphic.

    2. Raman mode-selective spectroscopic imaging of coenzyme and enzyme redox states

      Min Gu and H. Peter Lu

      Version of Record online: 22 APR 2016 | DOI: 10.1002/jrs.4915

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      Surface-enhanced Raman scattering spectra of flavin mononucleotide (FMN) in different redox states, and in a redox active enzyme, nitric oxide synthase are studied. Incubated with silver nanoparticles coated with silica, spectra for oxidized and reduced FMN are obtained at different electrochemical potentials. Dominate Raman mode shifting belonging to typical redox-sensitive region of FMN is observed and analyzed.

    3. Composition and spectroscopic properties of historic Cr logwood inks

      Silvia A. Centeno, Maddalena Bronzato, Polonca Ropret, Alfonso Zoleo, Alfonso Venzo, Sara Bogialli and Denis Badocco

      Version of Record online: 20 APR 2016 | DOI: 10.1002/jrs.4938

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      Cr logwood inks prepared following variations of a mid-19th century recipe were characterized by Raman spectroscopy, Fourier transform infrared spectroscopy, liquid chromatography–diode array detection–quadrupole time-of-flight–mass spectrometry, and liquid chromatography–inductively coupled plasma–mass spectrometry to determine their composition and to obtain Raman spectra for their identification in artworks and in historic documents. The Raman spectral references were used to characterize the ink used by van Gogh in Street in Saintes-Maries-de-la-Mer.

    4. Micro-Raman spectroscopy investigation of the carbonation reaction in a lime paste produced with a traditional technology

      Radek Ševčík, Petra Mácová, Konstantinos Sotiriadis, Marta Pérez-Estébanez, Alberto Viani and Petr Šašek

      Version of Record online: 20 APR 2016 | DOI: 10.1002/jrs.4929

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      In order to investigate the carbonation reaction in a lime paste produced with a traditional technology, micro-Raman spectroscopy has been performed over transversal cross sections. The transformation of calcium hydroxide to calcium carbonate was visualised using Raman Imaging that allowed highly accurate description of the carbonation process in traditional lime systems. Micro-Raman maps of calcite intensities of the lime paste specimens aged for 1 (a), 3 (b), 5 (c) and 12 (d) weeks.

    5. Surface-enhanced Raman scattering characterization of monohydroxylated polymethoxyflavones

      Changchu Ma, Hang Xiao and Lili He

      Version of Record online: 20 APR 2016 | DOI: 10.1002/jrs.4932

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      The different positions of hydroxylation in the structure of polymethoxyflavones were critical for determining the spatial conformation of polymethoxyflavones on binding sites, resulting in different binding affinities and the saturation points, therefore their SERS behaviors. 5-Hydroxylnobiletin exhibited the highest binding affinity and the lowest saturation concentration mainly because of the stronger interaction to Ag through chelation. 3′-Hydroxylnobiletin produced the lowest binding affinity primarily resulted from highly disorder of molecular conformation.

    6. Molecular approach to phase transitions in a calamitic ester substituted aroylhydrazone liquid crystal

      Rajib Nandi, Sachin Kumar Singh, Hemant Kumar Singh, D. S. Shankar Rao, S. Krishna Prasad, Bachcha Singh and Ranjan K. Singh

      Version of Record online: 20 APR 2016 | DOI: 10.1002/jrs.4933

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      A temperature-dependent Raman spectroscopic study in conjunction with XRD and DFT calculations of an ester-substituted aryolhydrazone liquid crystal has been done to explore structural modification and molecular arrangement during phase transitions. The hydrogen bonds between the amide groups are weakened at crystal I [RIGHTWARDS ARROW] crystal II phase transition and reduce considerably with small residue at crystal II [RIGHTWARDS ARROW] SmC phase transition. The presence of hydrogen bonding between amide groups is responsible for tilting arrangement in SmC phase.

    7. The effect of disulfide bonds on protein folding, unfolding, and misfolding investigated by FT–Raman spectroscopy

      Chih-Hsien Wang, Chia-Chi Huang, Long-Liu Lin and Wenlung Chen

      Version of Record online: 20 APR 2016 | DOI: 10.1002/jrs.4935

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      Bovine serum albumin preserves its disulfide bonds and secondary structure in 8 M urea solution. However, in the mixture of urea and dithiothreitol, all disulfide bonds are completely reduced and the secondary structure changes from α-helix to a β-sheet dominant structure. The disulfide bonds and secondary structure of BSA serve as concrete frameworks to stabilize protein structure. As the frameworks collapse, the protein undergoes an irreversibly structural change and results in protein misfolding.

    8. Micro-Raman spectroscopy on Iberian archaeological materials

      José A. Tuñón, Alberto Sánchez, David J. Parras, Peter Vandenabeele and Manuel Montejo

      Version of Record online: 19 APR 2016 | DOI: 10.1002/jrs.4934

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      Micro-Raman spectroscopy together with energy dispersive X-ray fluorescence and X-ray diffraction were used to analyse Iberian coverings and ceramics dated between the 6th and the 3rd century BC located in Southern Spain. Gypsum, calcite, dolomite and quartz were identified as main raw materials used for coverings. As to decoration in ceramics, hematite and cinnabar were employed to obtain the red colour. The black decoration was made using manganese oxide and magnetite.

    9. You have full text access to this OnlineOpen article
      Raman spectroscopy as a tool for detecting mitochondrial fitness

      Nika Erjavec, Giulietta Pinato and Kerstin Ramser

      Version of Record online: 19 APR 2016 | DOI: 10.1002/jrs.4930

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      In the present work we demonstrate the use of Raman spectroscopy to discriminate between live yeast cells with reduced or increased mitochondrial fragmentation. In particular, phospholipids and [Fe-S] centers of OXPHOS Complexes follow a fragmentation-specific clustering by LDA, posing as likely biomarkers of mitochondrial fitness. Spectral clustering was supported by enzymatic and inhibition measurements. In addition, we identified NADH auto-fluorescence as another possible biomarker. The figure shows LDA clustering for 4 cell types with mitotracker images.

    10. Near-infrared Raman spectroscopic characterization of salivary metabolites in the discrimination of normal from oral premalignant and malignant conditions

      Pachaiappan Rekha, Prakasarao Aruna, Elumalai Brindha, Dornadula Koteeswaran, Munusamy Baludavid and Singaravelu Ganesan

      Version of Record online: 19 APR 2016 | DOI: 10.1002/jrs.4897

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      Raman spectroscopy has been employed in the discrimination of normal subjects from patients with oral submucous fibrosis and oral squamous cell carcinoma at 785-nm excitation using saliva. From the spectral signatures, prominent difference between normal and abnormal group because of variations in metabolic and pathological conditions of the subjects was observed. Principal component analysis coupled with linear discriminant analysis yielded an accuracy of 84.3 and 94.5% for normal from premalignant and malignant, respectively.

    11. Probing charge carrier compensation in high energy ion irradiated III–V semiconductor by Raman spectroscopy and Hall measurements

      Shramana Mishra, Budhi Singh, Sayantan Bhattacharya, J. K. Panda, D. Kabiraj, Anushree Roy and Subhasis Ghosh

      Version of Record online: 14 APR 2016 | DOI: 10.1002/jrs.4916

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      Raman spectroscopy and Hall measurements have been carried out to investigate the differences in near-surface charge carrier modulation in high energy silicon ion (Si8+) and oxygen ion (O7+) irradiated n-GaAs. For O ion, the observed carrier modulation with ion fluence could be explained by carrier trapping in point defect trap centers created because of nuclear energy loss mechanism. However, for Si ion irradiation, the additional trap centers (complex defects) are required to explain the modulation.

    12. Characterisation and classification of automotive clear coats with Raman spectroscopy and chemometrics for forensic purposes

      Mark Maric, Wilhelm van Bronswijk, Kari Pitts and Simon W. Lewis

      Version of Record online: 14 APR 2016 | DOI: 10.1002/jrs.4925

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      Automotive clear coats from 139 vehicles, covering a range of Australian and international vehicle manufacturers, were characterised using FT Raman spectroscopy. Principal component analysis (PCA) revealed 19 distinct classes, which were associated with the vehicles manufacturer and model and in the case of Australian manufacturers the years of manufacture. Linear discriminant analysis based of the PCA groupings gave excellent discrimination between the groups with 96.9% of the calibration set and 97.6% of the validation set being correctly classified.

    13. Integration of correlative Raman microscopy in a dualbeam FIB SEM

      F. J. Timmermans, B. Liszka, A. T. M. Lenferink, H. A. G. M. van Wolferen and C. Otto

      Version of Record online: 14 APR 2016 | DOI: 10.1002/jrs.4931

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      A pattern of squares is fabricated through focused ion beam (FIB) milling on a silicon waver in an integrated FIB-SEM-Raman microscope. Correlated Raman micro-spectroscopic analysis reveals a surface layer of amorphous silicon on the FIB treated locations. Raman microscopy shows the integrated intensity of the amorphous Si band. Multiple proof of principle experiments demonstrate the efficient workflow of FIB-SEM-Raman microscopy and the usefulness for in situ chemical-physical characterization.

    14. Irradiation effects in CaF2 probed by Raman scattering

      I. Alencar, J. Ruiz-Fuertes, K. Schwartz, C. Trautmann, L. Bayarjargal, E. Haussühl and B. Winkler

      Version of Record online: 13 APR 2016 | DOI: 10.1002/jrs.4927

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      The formation of metallic colloids and point defects after irradiation of CaF2 crystals with swift heavy ions was investigated by Raman spectroscopy. This work studies the dependence on total ion fluence, depth and illumination with lasers of different wavelengths, illustrating the suitability of Raman spectroscopy to examine the damage morphology and bleaching effects.

    15. Modeling red coral (Corallium rubrum) and African snail (Helixia aspersa) shell pigments: Raman spectroscopy versus DFT studies

      Teobald Kupka, Aneta Buczek, Małgorzata A. Broda, Roman Szostak, Hong-Ming Lin, Lu-Wei Fan, Roman Wrzalik and Leszek Stobiński

      Version of Record online: 8 APR 2016 | DOI: 10.1002/jrs.4922

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      Pigments from red coral (Corallium rubrum) and African snail (Helixia aspersa) shell were studied non-invasively using Raman spectroscopy with 1064-nm laser beam. The two observed bands because of organic pigments confined in biomineralized CaCO3 matrix at about 1500 and 1100 cm−1 were assigned to ν(C[DOUBLE BOND]C) and ν(C―C), respectively. Both signals originate from polyene(s) of largely unknown structure, containing several conjugated C[DOUBLE BOND]C bonds.

      To support analysis of the observed Raman spectra detailed calculations using density functional theory (DFT with B3LYP and BLYP density functionals) on structure and vibrations of model all-trans polyenes were undertaken.