Experimental and theoretical polarized raman linear difference spectroscopy of small molecules with a new alignment method using stretched polyethylene film

Analytical Chemistry

Volumn 84, Issue 3, 2012, Pages 1394-1401

  Kowalska, Patrycja ^a   Cheeseman, James R ^b   Razmkhah, Kasra ^a   Green, Ben ^c   Nafie, Laurence A ^d   Rodger, Alison ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

^b GAUSSIAN INC   (United States)

^c UNIVERSITY OF WARWICK   (United Kingdom)

^d SYRACUSE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALIGNMENT METHODS; BIOLOGICAL SAMPLES; DIFFERENCE SPECTROSCOPY; MATRIX; MONOPHOSPHATES; POLARIZED RAMAN; POLYETHYLENE FILM; POWDER SAMPLES; SMALL MOLECULES; SPECTROSCOPIC INFORMATION; STRUCTURAL INFORMATION;

ALIGNMENT; ANTHRACENE; BIOMOLECULES; LIGHT POLARIZATION; QUARTZ; RAMAN SCATTERING; RAMAN SPECTROSCOPY; THERMOPLASTICS;

POLYETHYLENES;

EID: 84856714041     PISSN: 00032700     EISSN: None     Source Type: Journal    
DOI: 10.1021/ac202432e     Document Type: Article

References (37)

1. Vandenabeele, P.; Edwards, H. G. M.; Moens, L. A Decade of Raman Spectroscopy in Art and Archaeology Chem. Rev. 2007, 107, 675-686 (Pubitemid 46502368)
2. Svedberg, F.; Alaverdyan, Y.; Johansson, P.; Käll, M. Raman Spectroscopic Studies of Terthiophenes for Molecular Electronics J. Phys. Chem. B 2006, 110, 25671-25677 (Pubitemid 46133274)
3. Lefrant, S.; Baibarac, M.; Baltog, I. Raman and FTIR spectroscopy as valuable tools for the characterization of polymer and carbon nanotube based composites J. Mater. Chem. 2009, 19, 5690-5704
4. Thomas, G. J.; Benevides, J. M.; Overman, S. A.; Ueda, T.; Ushizawa, K.; Saitoh, M.; Tsuboi, M. Polarized Raman spectra of oriented fibers of A DNA and B DNA: anisotropic and isotropic local Raman tensors of base and backbone vibrations Biophys. J. 1995, 68, 1073-1088
5. Thomas, G. J. Raman Spectroscopy of protein and nucleic acid assemblies Annu. Rev. Biophys. Biomol. Struct. 1999, 28, 1-27
6. Barron, L. D.; Zhu, F.; Hecht, L.; Tranter, G. E.; Isaacs, N. W. Raman optical activity: An incisive probe of molecular chirality and biomolecular structure J. Mol. Struct. 2007, 834-836, 7-16 (Pubitemid 46497175)
7. Asakawa, K.; Masuda, S.; Takeuchi, H. Indole ring orientations of Trp189 in the ground and M intermediate states of bacteriorhodopsin as studied by polarized UV resonance Raman spectroscopy J. Raman Spectrosc. 2006, 37, 255-262
8. Rodger, A.; Rajendra, J.; Marrington, R.; Ardhammar, M.; Nordén, B.; Hirst, J. D.; Gilbert, A. T. B.; Dafforn, T. R.; Halsall, D. J.; Woolhead, C. A.; Robinson, C.; Pinheiro, T. J.; Kazlauskaite, J.; Seymour, M.; Perez, N.; Hannon, M. J. Flow oriented linear dichroism to probe protein orientation in membrane environments Phys. Chem. Chem. Phys. 2002, 4, 4051-4057
9. Dafforn, T. R.; Rajendra, J.; Halsall, D. J.; Serpell, L. C.; Rodger, A. Protein Fiber Linear Dichroism for Structure Determination and Kinetics in a Low-Volume, Low-Wavelength Couette Flow Cell Biophys. J. 2004, 86, 404-410 (Pubitemid 38067468)
10. Hicks, M. R.; Damianoglou, A.; Rodger, A.; Dafforn, T. R. Folding and membrane insertion of the pore-forming peptide gramicidin occur as a concerted process J. Mol. Biol. 2008, 383, 358-366
11. Rodger, A.; Sanders, K. J.; Hannon, M. J.; Meistermann, I.; Parkinson, A.; Vidler, D. S.; Haworth, I. S. DNA structure control by polycationic species: polyamines, cobalt ammines, and di-metallo transition metal chelates Chirality 2000, 12, 221-236 (Pubitemid 30253636)
12. Nordén, B.; Rodger, A.; Dafforn, T. Linear Dichroism and Circular Dichroism: A Textbook on Polarized Spectroscopy; Royal Society of Chemistry: Cambridge, U.K., 2010.
13. Bechinger, B.; Ruysschaert, J.-M.; Goormaghtigh, E. Membrane Helix Orientation from Linear Dichroism of Infrared Attenuated Total Reflection Spectra Biophys. J. 1999, 76, 552-563 (Pubitemid 29202483)
14. Surewicz, W. K.; Mantsch, H. H.; Chapman, D. Determination of Protein Secondary Structure by Fourier Transform Infrared Spectroscopy: A Critical Assessment Biochemistry 1993, 32, 389-394 (Pubitemid 23034873)
15. Lagerwall, J.; Scalia, G.; Haluska, M.; Dettlaff-Weglikowska, U.; Roth, S.; Giesselmann, F. Nanotube Alignment Using Lyotropic Liquid Crystals Adv. Mater. 2007, 19, 359-364 (Pubitemid 46925424)
16. Tsuboi, M.; Ikeda, T.; Shindo, H. A Velocity-Gradient Flow Cell for Raman and Emission Spectroscopy of a Deoxyribonucleic Acid-Drug Solution Chem. Pharm. Bull. 1987, 35, 4405-4409 (Pubitemid 18004996)
17. Takeuchi, H.; Matsuno, M.; Overman, S. A.; Thomas, G. J. Raman Linear Intensity Difference of Flow-Oriented Macromolecules: Orientation of the Indole Ring of Tryptophan-26 in Filamentous virus fd J. Am. Chem. Soc. 1996, 118, 3498-3507 (Pubitemid 26145105)
18. Patel, K. K.; Plummer, E. A.; Darwish, M.; Rodger, A.; Hannon, M. J. Aryl substituted ruthenium bisterpyridine complexes: intercalation and groove binding with DNA J. Inorg. Biochem. 2002, 91, 220-229 (Pubitemid 34727772)
19. Radziszewski, J. G.; Michl, J. Fourier-Transform Infrared Linear Dichroism: Stretched Polyethylene as a Solvent in IR Spectroscopy J. Am. Chem. Soc. 1986, 108, 3289-3297
20. Yogev, A.; Margulies, L.; Amar, D.; Mazur, Y. Studies in Linear Dichroism. I. Quantitative Evaluation of Linear Dichroic Properties of Molecules in Stretched Polyethylene Films J. Am. Chem. Soc. 1969, 91, 4558-4559
21. Thulstrup, E. W.; Thulstrup, P. W. Polarization Spectroscopic Studies of Ordered Samples Acta Chim. Slov 2005, 52, 371-383 (Pubitemid 43066966)
22. Ismail, M. A.; Sanders, K. J.; Fennel, G. C.; Latham, H. C.; Wormell, P.; Rodger, A. Spectroscopic studies of 9-hydroxyellipticine binding to DNA Biopolymers 1998, 46, 127-143
23. Wool, R. P.; Bretzlaff, R. S. Infrared and Raman Spectroscopy of Stressed Polyethylene J. Polym. Sci., Part B: Polym. Phys. 1986, 24, 1039-1066 (Pubitemid 16588010)
24. Fagnano, C.; Rossi, M.; Porter, R. S.; Ottani, S. A study on solid-state drawn fibers of polyethylene by confocal Raman microspectrometry: evaluation of the orientation profiles of amorphous and crystalline phases across the fiber section Polymer 2001, 42, 5871-5883 (Pubitemid 32267375)
25. Snyder, R. G.; Scherer, J. R.; Peterlin, A. Low-Frequency Raman Study of Drawn Polyethylene Macromolecules 1981, 14, 77-82
26. Chao, Y.; Jianming, Z.; Deyan, S.; Shouke, Y. Structure characterization of melt drawn polyethylene ultrathin films Chin. Sci. Bull. 2006, 51, 2844-2850
27. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T. J.; J. A. M., Peralta; J. E., Ogliaro; F., Bear-park; M., Heyd; J. J., Brothers; E., Kudin; K. N., Staroverov; V. N., Keith; T., Kobayashi; R., Normand; J., Raghavachari; K., Rendell; A., Burant; J. C., Lyengar; S. S., Tomasi; J., Cossi; M., Rega; N., Millam; J. M., Klene; M., Knox; J. E., Cross; J. B., Bakken; V., Adamo; C., Jara-millo; J., Gomperts; R., Stratmann; R. E., Yazyev; O., Austin; A. J., Cammi; R., Pomelli; C., Ochterski; J. W., Martin; R. L., Morokuma; K., Zakrzewski; V. G., Voth; G. A., Salvador; P., Dannenberg, J. J.; Dapprich, S.; Parandekar, P. V.; Mayhall, N. J.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian Development Version, revision H.12+; Gaussian, Inc.: Wallingford, CT, 2011.
28. Becke, A. D. Density-functional exchange-energy approximation with correct asymptotic-behavior Phys. Rev. A 1988, 38, 3098-3100
29. Becke, A. D. Density-functional thermo-chemistry. III. The role of exact exchange J. Chem. Phys. 1993, 98, 5648-5652
30. Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys. Rev. B 1988, 37, 785-789
31. Dunning, T. H., Jr. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen J. Chem. Phys. 1989, 90, 1007-1023
32. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions J. Chem. Phys. 1992, 96, 6796-6806
33. Ruud, K.; Thorvaldsen, A. J. Theoretical Approaches to the Calculation of Raman Optical Activity Spectra Chirality 2009, 21, E54-E67
34. Craig, D. P.; Thirunamachandran, T. Molecular Quantum Electrodynamics: An Introduction to Radiation-Molecule Interactions; Academic Press: London, 1984.
35. Schipper, P. E.; Rodger, A. Generalized selection rules: An augmentation procedure for the determination of symmetry invariants Chem. Phys. 1985, 98, 29-40
36. Bridge, N. J.; Vincent, D. J. Chem. Soc., Faraday Trans. 2 1972, 68, 1522-1535
37. Lord, R. C.; Thomas, G. J. Raman spectral studies of nucleic acids and related molecules-I Ribonucleic acid derivatives Spectrochim. Acta 1967, 23A, 2551-2591