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                            Library & Multimedia
 Statistical methods and library search approaches for fast and reliable identification of dyes using surface-enhanced Raman spectroscopy (SERS)
NCJ Number
              304230
Journal

*Analytical Methods* Issue: 5 Dated: 2013 Pages: 4205-4212
Author(s)
          Federica Pozzi;
                        Simone Porcinai;
                        John R. Lombardi;
                        Marco Leona
Date Published

2013
Length
              13 pages
Annotation
              This article reports on a project that assembled the core of a comprehensive library which contains 100 Raman and surface-enhanced Raman spectroscopy (SERS) reference spectra of natural and synthetic organic colorants.
Abstract
              The identification of organic colorants is of high importance in the cultural heritage field, where they are found as paint components and textile dyes, and in forensic science, because of their use in inks and paints, food colorants and textile dyes. Surface-enhanced Raman spectroscopy (SERS) has emerged as a promising technique for the detection of these materials, yet concerns over the sensitivity of SERS spectra of dyes to chemical and instrumental variables (such as pH, choice of SERS substrates and/or aggregants, and excitation wavelength) have prevented its widespread use in analytical applications. Over the last few years, the development of several microanalytical approaches has considerably increased the chances of success in the identification of minute amounts of dyes by SERS. However, the need for searchable databases is still largely to be fulfilled. In the current project, experiments to classify 20 query SERS spectra of dyes from a variety of museum objects were conducted using principal component analysis (PCA) and the correlation coefficient (CC) algorithm. The effect of spectral transformations such as baseline correction, selecting a standard frequency range, normalization, smoothing, as well as carrying out the search on the second derivative of the spectra, was systematically evaluated. This study demonstrates that SERS spectra of organic colorants can be reliably matched against a well-constructed spectral library regardless of the instrumentation and the colloids used, as well as of the pH conditions at which the measurements were conducted. (publisher abstract modified)
      
  
          Additional Details
Grant Number(s)
        2006-DN-BX-K034


  
  
        
  Agencies
        NIJ-Sponsored


  
  
        
  Award
        Development of Advanced Raman Spectroscopy Methods and Databases for the Evaluation of Trace Evidence and the Examination of Questioned Documents
    
  
  
Date Published: January 1, 2013
    
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