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                            Library & Multimedia
 Quantification of Cocaine in Ternary Mixtures Using Partial Least Squares Regression Applied to Raman and Fourier Transform Infrared Spectroscopy
NCJ Number
              253360
Journal

*Journal of Raman Spectroscopy* Volume: 48 Issue: 12 Dated: 2017 Pages: 1732-1743
Author(s)
          Ciro Penido;
                        Marcos T. Pacheco;
                        Etelvino H. Novotny;
                        Igor K. Lednev;
                        Landulfo Silveira Jr.
Date Published

August 2017
Length
              12 pages
Annotation
              Since the use of vibrational spectroscopy, such as Raman spectroscopy and Fourier transform infrared spectroscopy (FTIR), enables the quick identification of toxic substances without using reagents or markers, the current study applied these techniques in the long term to identify and quantify substances found at the locations of suicide attempts, poisonings, and even drug consumption sites, including crack samples containing a cocaine base and adulterants commonly seized in drug busts, such as caffeine, lidocaine, and sodium carbonate.
Abstract
              The use of chemicals is often related to suicide attempts and acute poisoning, which account for a significant number of hospital admissions. The differential diagnosis of patients exposed to poisoning is intricate and varies according to the substance used. The identification of drugs and drug abuse in cases of poisoning often requires time-consuming and complex techniques, such as chromatography. In the current study, Raman and FTIR spectra of ternary mixtures of crack with caffeine and sodium carbonate and crack with lidocaine and sodium carbonate were obtained. These spectra were used for building multivariate models based on partial least squares (PLS) for determining the composition of the samples quantitatively. High correlation coefficients (r > 0.98) and small cross-validation prediction errors (< 6 percent) were obtained for both Raman and FTIR spectral models. The results show that PLS regression enables crack quantification in ternary mixtures, using both Raman and FTIR spectroscopy, allowing for quick medical intervention or determination of the cause of death in cases of cocaine toxicity. (publisher abstract modified)
      
  
          Additional Details
Grant Number(s)
        2014-DN-BX-K016


  
  
        
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        NIJ-Sponsored


  
  
        
  Publication Type
        Research (Applied/Empirical)
                                Report (Study/Research)
                                Report (Grant Sponsored)
                                Program/Project Description


  
  
        
  Award
        Raman spectroscopy for analyzing body fluid traces: Moving towards a practical forensic application
    
  
  
Date Published: August 1, 2017
    
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      PatentsRelated Topics
        
                Cocaine
        Drug detection
        Drug overdose
        Infrared techniques
        Mathematical Modeling



  
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