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Explosives Analysis Using Thin-Layer Chromatography-Quantum Cascade Laser Spectroscopy.

John R Castro-Suarez1,2, Luis A Pérez-Almodóvar1, Doris M Laguer-Martínez1

  • 1Center for Chemical Sensors and Chemical Imaging and Surface Analysis Center, Department of Chemistry, University of Puerto Rico-Mayagüez, Mayagüez, PR 00681, USA.

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Summary
This summary is machine-generated.

A novel hyphenated technique combines thin-layer chromatography (TLC) with mid-infrared (MIR) laser spectroscopy for rapid, low-cost analysis of explosives. This method offers a practical and reproducible approach for identifying and quantifying nitroaromatic compounds.

Keywords:
mid-infrared laser spectroscopypartial least squares regression (PLS)principal components analysis (PCA)thin-layer chromatography (TLC)trinitrotoluene (TNT)

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Area of Science:

  • Analytical Chemistry
  • Spectroscopy
  • Chromatography

Background:

  • High explosives (HEs) are significant anthropogenic contaminants.
  • Accurate identification and quantification of HEs are crucial for safety and environmental monitoring.
  • Existing analytical methods can be time-consuming or require specialized equipment.

Purpose of the Study:

  • To present a new hyphenated technique combining thin-layer chromatography (TLC) and mid-infrared (MIR) laser spectroscopy.
  • To demonstrate the method's utility for rapid screening, identification, and quantification of nitroaromatic and aliphatic nitro high explosives (HEs).
  • To validate the technique by comparing results with established methods like attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy.

Main Methods:

  • Developed a hyphenated technique integrating TLC for analyte separation with MIR laser spectroscopy for detection.
  • Utilized 2,4,6-trinitrotoluene (TNT) as a model analyte for method validation.
  • Employed multivariate analysis, including Partial Least Squares (PLS) regression and PLS-Discriminant Analysis (PLS-DA), for data evaluation, quantification, and classification.

Main Results:

  • The TLC-MIR laser spectroscopy method provided rapid, robust, and reproducible analysis.
  • Characteristic TNT spectral bands were identified at approximately 1350 cm⁻¹ and 1550 cm⁻¹.
  • Achieved a detection limit of 84 ng and a quantification limit of 252 ng for TNT.
  • Multivariate analysis effectively processed spectroscopic data for quantification and classification.

Conclusions:

  • The new TLC-QCL technique offers a practical, low-cost, and fast approach for HE analysis.
  • The method is sensitive and precise, with potential for portability as MIR laser technology advances.
  • This technique is suitable for fieldwork and rapid screening of contaminants.