Discriminant analysis of Raman spectra for body fluid identification for forensic purposes

Sensors

Volumn 10, Issue 4, 2010, Pages 2869-2884

  Sikirzhytski, Vitali ^a   Virkler, Kelly ^a   Lednev, Igor K ^a  

^a STATE UNIVERSITY OF NEW YORK   (United States)

Author keywords

Blood; Body fluids; Discriminant analysis; Forensic medicine; Human; Raman spectroscopy; Saliva; Semen; Spectroscopy; Spectrum analysis

Indexed keywords

CONFOCAL RAMAN MICROSCOPES; CONTROLLED LABORATORIES; DETECTION AND IDENTIFICATIONS; EXCITATION WAVELENGTH; FORENSIC MEDICINE; HUMAN; SALIVA; SEMEN;

BODY FLUIDS; DISCRIMINANT ANALYSIS; RAMAN SPECTROSCOPY; SPECTROSCOPY; SPECTRUM ANALYSIS;

BLOOD;

ARTICLE; BODY FLUID; CHEMISTRY; DISCRIMINANT ANALYSIS; FORENSIC MEDICINE; HUMAN; METHODOLOGY; RAMAN SPECTROMETRY; SALIVA; SPERM; THEORETICAL MODEL;

BODY FLUIDS; DISCRIMINANT ANALYSIS; FORENSIC MEDICINE; HUMANS; MODELS, THEORETICAL; SALIVA; SEMEN; SPECTRUM ANALYSIS, RAMAN;

EID: 77951704570     PISSN: 14248220     EISSN: None     Source Type: Journal    
DOI: 10.3390/s100402869     Document Type: Article

References (75)

1. Greenfield, A.; Sloan, M.M. Identification of biological fluids and stains. In Forensic Science: an Introduction to Scientific and Investigative Techniques; CRC Press: Boca Ratom, FL, USA, 2005; pp. 261-271.
2. Juusola, J.; Ballantyne, J. mRNA profiling for body fluid identification by multiplex quantitative RT-PCR. J. Forensic. Sci. 2007, 52, 1252-1262.
3. Crime Scene Investigation: A Guide for Law Enforcement. U.S. Department of Justice Office of Justice Programs: Washington, DC, USA, 2000.
4. Soukos, N.S.; Crowley, K.; Bamberg, M.P.; Gillies, R.; Doukas, A.G.; Evans, R.; Kollias, N.A rapid method to detect dried saliva stains swabbed from human skin using fluorescence spectroscopy. Forensic. Sci. Int. 2000, 114, 133-138.
5. Powers, L.S.; Lloyd, C.R. Method and apparatus for detecting and imaging the presence of biological materials. US Patent 7186990, March 6, 2007.
6. Estes, C.; Duncan, A.; Wade, B.; Lloyd, C.; Ellis, Jr., W.; Powers, L. Reagentless detection of microorganisms by intrinsic fluorescence. Biosens. Bioelectron. 2003, 18, 511-519
7. Virkler, K.; Lednev, I.K. Raman spectroscopic signature of semen and its potential application to forensic body fluid identification. Forensic. Sci. Int. 2009, 193, 56-62.
8. Virkler, K.; Lednev, I.K. Forensic body fluid identification: The Raman spectroscopic signature of saliva. Analyst 2010, DOI: 10.1039/b919393f.
9. Virkler, K.; Lednev, I.K. Raman spectroscopic signature of blood and its potential application to forensic body fluid identification. Anal. Bioanal. Chem. 2009, 396, 525-534.
10. Virkler, K.; Lednev, I.K. Raman spectroscopy offers great potential for the nondestructive confirmatory identification of body fluids. Forensic. Sci. Int. 2008, 181, e1-5.
11. Virkler, K.; Lednev, I.K. Analysis of body fluids for forensic purposes: from laboratory testing to non-destructive rapid confirmatory identification at a crime scene. Forensic. Sci. Int. 2009, 188, 1-17.
12. De Wael, K.; Lepot, L.; Gason, F.; Gilbert, B. In search of blood-detection of minute particles using spectroscopic methods. Forensic. Sci. Int. 2008, 180, 37-42.
13. Virkler, K.; Lednev, I.K. Blood species identification for forensic purposes using Raman spectroscopy combined with advanced statistical analysis. Anal. Chem. 2009, 81, 7773-7777.
14. Gebel, E. Species in a snap: Raman analysis of blood. Anal. Chem. 2009, 81, 7862.
15. Yu, N.T. Raman spectroscopy: a conformational probe in biochemistry. CRC Crit. Rev. Biochem. 1977, 4, 229-280.
16. Carey, P.R. Resonance Raman spectroscopy in biochemistry and biology. Q. Rev. Biophys. 1978, 11, 309-370.
17. Peticolas, W.L. Application of Raman spectroscopy to biological macromolecules. Biochimie 1975, 57, 417-428.
18. Shashilov, V.; Lednev, I.K. Deep-UV Raman spectroscopy directly probes a fibrillation nucleus. Laser Focus World 2007, 43, 87-90.
19. Shashilov, V.A.; Lednev, I.K. Two-dimensional correlation Raman spectroscopy for characterizing protein structure and dynamics. J. Raman Spectrosc. 2009, 40, 1749-1758.
20. Shashilov, V.; Xu, M.; Ermolenkov, V.V.; Fredriksen, L.; Lednev, I.K. Probing a fibrillation nucleus directly by deep ultraviolet Raman spectroscopy. J. Am. Chem. Soc. 2007, 129, 6972-6973.
21. Xu, M.; Shashilov, V.; Lednev, I.K. Probing the cross-beta core structure of amyloid fibrils by hydrogen-deuterium exchange deep ultraviolet resonance Raman spectroscopy. J. Am. Chem. Soc. 2007, 129, 11002-11003.
22. Xu, M.; Shashilov, V.A.; Ermolenkov, V.V.; Fredriksen, L.; Zagorevski, D.; Lednev, I.K. The first step of hen egg white lysozyme fibrillation, irreversible partial unfolding, is a two-state transition. Protein. Sci. 2007, 16, 815-832.
23. Shashilov, V.A.; Ermolenkov, V.V.; Lednev, I.K. Multiple bicyclic diamide-lutetium complexes in solution: chemometric analysis of deep-UV Raman spectroscopic data. Inorg. Chem. 2006, 45, 3606-3612.
24. Sikirzhytski, V.; Topilina, N.I.; Higashiya, S.; Welch, J.T.; Lednev, I.K. Genetic engineering combined with deep UV resonance Raman spectroscopy for structural characterization of amyloid-like fibrils. J. Am. Chem. Soc. 2008, 130, 5852-5853.
25. Shashilov, V.A.; Lednev, I.K. 2D correlation deep UV resonance raman spectroscopy of early events of lysozyme fibrillation: kinetic mechanism and potential interpretation pitfalls. J. Am. Chem. Soc. 2008, 130, 309-317.
26. Shashilov, V.A.; Xu, M.; Ermolenkov, V.V.; Lednev, I.K. Latent variable analysis of Raman spectra for structural characterization of proteins. J. Quant. Spectrosc. Radiat. Transfer 2006, 102, 46-61.
27. Shashilov, V.A.; Lednev, I.K. Bayesian Extraction of Deep UV Resonance Raman Signature of Fibrillar Cross-ß Sheet Core based on H-D Exchange Data Knuth, K.H., Caticha, A., Giffin, A., Rodríguez, C.C., Center, J.L.J., Eds; Saratoga Springs, New York, NY, USA, 2007; pp. 450-457.
28. De Gelder, J.; Gussem, K.D.; Vandenabeele, P.; Moens, L. Reference database of Raman spectra of biological molecules. J. Raman. Spectrosc. 2007, 38, 1133-1147.
29. Johnson, C.R.; Ludwig, M.; Asher, S.A. Ultraviolet resonance Raman characterization of photochemical transients of phenol, tyrosine, and tryptophan. J. Am. Chem. Soc. 1986, 108, 905-912.
30. Chikishev, A.Y.; Lucassen, G.W.; Koroteev, N.I.; Otto, C.; Greve, J. Polarization sensitive coherent anti-Stokes Raman scattering spectroscopy of the amide I band of proteins in solutions. Biophys. J. 1992, 63, 976-985.
31. Berjot, M.; Marx, J.; Alix, A.J.P. Determination of the secondary structure of proteins from the Raman amide I band: The reference intensity profiles method. J. Raman. Spectrosc. 2005, 18, 289-300
32. Mikhonin, A.V.; Bykov, S.V.; Myshakina, N.S.; Asher, S. A. Peptide secondary structure folding reaction coordinate: correlation between uv raman amide III frequency, Psi Ramachandran angle, and hydrogen bonding. J. Phys. Chem. B 2006, 110, 1928-1943.
33. Carter, E.A.; Edwards, H.G.M. Biological applications of Raman spectroscopy. In Infrared and Raman Spectroscopy of Biological Materials; Hans-Ulrich, G., Yan, B., Eds.; Marcel Dekker, Inc.: New York, NY, USA, 2001; Volume 24, pp. 421-475.
34. Liang, J.; Cheng, Y.; Han, H. Study on the interaction of bovine serum albumin and CdTe quantum dots with spectroscopic techniques. J. Mol. Struct. 2008, 892, 116-120.
35. Ivanov, A.I.; Zhbankov, R.G.; Korolenko, E.A.; Korolik, E.V.; Meleshchenko, L.A.; Marchewka, M.; Ratajczak, H. Infrared, Raman spectroscopic studies of the structure of human serum albumin under various ligand loads. J. Appl. Spectrosc. 1994, 60, 399-405.
36. Edsall, J.T. Raman spectra of amino acids and related compounds. VI. Sarcosine, ethanolamine, choline, betaine, and betaine derivatives. J. Am. Chem. Soc. 1943, 65, 1767-1770.
37. Koyama, Y.; Toda, S.; Kyogoku, Y. Raman spectra and conformation of the glycerophosphorylcholine headgroup. Chem. Phys. Lipids 1977, 19, 74-92.
38. Spiker, R.C., Jr.; Levin, I.W. Raman spectra and vibrational assignments for dipalmitoyl phosphatidylcholine and structurally related molecules. Biochim. Biophys. Acta 1975, 388, 361-373.
39. Bertoluzza, A.; Fagnano, C.; Finelli, P.; Morelli, M.A.; Simoni, R.; Tosi, R. Raman and infrared spectra of spermidine and spermine and their hydrochlorides and phosphates as a basis for the study of the interactions between polyamines and nucleic acids. J. Raman. Spectrosc. 1983, 14, 385-394.
40. Eapen, A.; Joe, I.H.; Aruldhas, G. Vibrational and SERS spectra of spermine phosphate hexahydrate. Spectrosc. Lett. 1997, 30, 751-770.
41. Sato, H.; Chiba, H.; Tashiro, H.; Ozaki, Y. Excitation wavelength-dependent changes in Raman spectra of whole blood and hemoglobin: comparison of the spectra with 514.5-, 720-, and 1064-nm excitation. J. Biomed. Opt. 2001, 6, 366-370.
42. Venkatesh, B.; Ramasamy, S.; Mylrajan, M.; Asokan, R.; Manoharan, P.T.; Rifkind, J.M. Fourier transform Raman approach to structural correlation in hemoglobin derivatives. Spectrochim. Acta A Mol. Biomol. Spectrosc. 1999, 55A, 1691-1697.
43. Asher, S.A.; Vickery, L.E.; Schuster, T.M.; Sauer, K. Resonance Raman spectra of methemoglobin derivatives. Selective enhancement of axial ligand vibrations and lack of an effect of inositol hexaphosphate. Biochemistry 1977, 16, 5849-5856.
44. Blood. Encyclopaedia Britannica; 14th ed.; Hutchins, R.M., Ed.; Encyclopaedia Britannica, Inc.: Chicago, IL, USA, 1970; Volume 3, p. 796.
45. Adar, F.; Gouterman M; Aronowitz, S. Fluorescence, resonance Raman, and radiationless decay in several hemoproteins. J. Phys. Chem. 1976, 80, 2184-2191.
46. Marx, J.; Hudry-Clergeon, G.; Capet-Antonini, F.; Bernard, L. Laser Raman spectroscopy study of bovine fibrinogen and fibrin. Biochim. Biophys. Acta 1979, 578, 107-115.
47. Vanni, S. Raman chemical imaging provides rapid, non-invasive and reagentless biothreat detection. In Proceedings of 19th Annual NDIA Security Symposium & Exhibition, ChemImage Corporation: Pittsburgh, PA, USA, 2003.
48. Kalasinsky, K.S.; Hadfield, T.; Shea, A.A.; Kalasinsky, V.F.; Nelson, M.P.; Neiss, J.; Drauch, A.J.; Vanni, G.S.; Treado, P.J. Raman chemical imaging spectroscopy reagentless detection and identification of pathogens: signature development and evaluation. Anal. Chem. 2007, 79, 2658-2673.
49. FT-IR Raman spectrum of propyl acetate. In Sigma-Aldrich Co: St. Louis, MO, USA, 2009.
50. FT-IR Raman spectrum of dodecyl acetate. In Sigma-Aldrich Co: St. Louis, MO, USA, 2009.
51. FT-IR Raman spectrum of amyl acetate. In Sigma-Aldrich Co: St. Louis, MO, USA, 2009.
52. Barrett, T.W. Laser Raman spectra of mono-, oligo-and polysaccharides in solution. Spectrochim. Acta A Mol. Spectrosc. 1981, 37, 233-239.
53. Habuchi, O. Diversity and functions of glycosaminoglycan sulfotransferases. Biochim. Biophys. Acta 2000, 1474, 115-127.
54. Walsh, M.C.; Brennan, L.; Malthouse, J.P.; Roche, H.M.; Gibney, M.J. Effect of acute dietary standardization on the urinary, plasma, and salivary metabolomic profiles of healthy humans. Am. J. Clin. Nutr. 2006, 84, 531-539.
55. Effros, R.M.; Casaburi, R.; Su, J.; Dunning, M.; Torday, J.; Biller, J.; Shaker, R. The effects of volatile salivary acids and bases on exhaled breath condensate pH. Am. J. Respir. Crit. Care Med. 2006, 173, 386-392.
56. Mariey, L.; Signolle, J.P.; Amiel, C.; Travert, J. Discrimination, classification, identification of microorganisms using FTIR spectroscopy and chemometrics. Vib. Spectrosc. 2001, 26, 151-159.
57. Coomans, D.; Smyth, C.; Lee, I.; Hancock, T.; Yang, J. Unsupervised data mining: introduction. In Comprehensive chemometrics: chemical and biochemical data analysis; Brown, S.D., Tauler, R., Walczak, B., Eds.; Elsevier B.V.: Amsterdam, the Netherlands, 2009; Volume 2, pp. 559-576.
58. Orav, E.J.; Louis, T.A.; Palmer, R.H.; Wright, E.A. Variance components and their implications for statistical information in medical data. Stat. Med. 1991, 10, 599-616.
59. Beljebbar, A.; Bouche, O.; Diebold, M.D.; Guillou, P.J.; Palot, J.P.; Eudes, D.; Manfait, M. Identification of Raman spectroscopic markers for the characterization of normal and adenocarcinomatous colonic tissues. Crit. Rev. Oncol. Hematol. 2009, 72, 255-264.
60. Miller, D.J.; Wang, Y.; Kesidis, G. Emergent unsupervised clustering paradigms with potential application to bioinformatics. Front. Biosci. 2008, 13, 677-690.
61. Ester, M.; Kriegel, H.-P.; Xu, X. In A density-based algorithm for discovering clusters in large spatial databases with noise; AAAI Press: Menlo Park, CA, USA, 1996; pp. 226-231.
62. Krafft, C.; Steiner, G.; Beleites, C.; Salzer, R. Disease recognition by infrared and Raman spectroscopy. J. Biophotonics 2009, 2, 13-28.
63. Ivosev, G.; Burton, L.; Bonner, R. Dimensionality reduction and visualization in principal component analysis. Anal. Chem. 2008, 80, 4933-4944.
64. Baxter, M.J. A review of supervised and unsupervised pattern recognition in archaeometry. Archaeometry 2006, 48, 671-694.
65. Larranaga, P.; Calvo, B.; Santana, R.; Bielza, C.; Galdiano, J.; Inza, I.; Lozano, J.; Armananzas, R.; Santafe, G.; Perez, A.; Robles, V. Machine learning in bioinformatics. Briefings Bioinformatics 2006, 7, 86-112.
66. Lavine, B.K.; Rayens, W.S. Statistical discriminant analysis. In Comprehensive chemometrics: chemical and biochemical data analysis; Brown, S.D., Tauler, R., Walczak, B., Eds.; Elsevier B.V.: Amsterdam, Netherlands, 2009; Volume 3, pp. 517-540.
67. Coomans, D.; Massart, D. L.; Kaufman, L. Optimization by statistical linear discriminant analysis in analytical chemistry. Anal. Chim. Acta 1979, 112, 97-122.
68. Huang, J.; Yuen, P.C.; Chen W.-S.; Lai, J.H. Choosing parameters of kernel subspace LDA for recognition of face images under pose and illumination variations. IEEE Trans. Syst. Man. Cybern. Part B Cybern. 2007, 37, 847-862.
69. Yu, H.; Yang, J. A direct LDA algorithm for high-dimensional data with application to face recognition. Pattern. Recognit. 2001, 34, 2067-2070.
70. Loog, M.; Duin, R.P.W. Linear dimensionality reduction via a heteroscedastic extension of LDA: the Chernoff criterion. IEEE Trans. Pattern. Anal. Mach. Intell. 2004, 26, 732-739.
71. Zhu, M.; Martinez, A.M. Subclass discriminant analysis. IEEE Trans. Pattern. Anal. Mach. Intell. 2006, 28, 1274-1286.
72. Dunn, W.J.I.; Wold, S. SIMCA pattern recognition and classification. Meth. Princip. Med. Chem. 1995, 2, 179-193.
73. Goerlitz, L.; Menze, B.H.; Kelm, B.M.; Hamprecht, F.A. Processing spectral data. Surf. Interface Anal. 2009, 41, 636-644.
74. Everitt, B.S. Analysis of longitudinal data. Beyond MANOVA. Br. J. Psychiatry. 1998, 172, 7-10.
75. Barker, M.; Rayens, W. Partial least squares for discrimination. J. Chemom. 2003, 17, 166-173.