Spectroscopic signatures of PETN: Part II. Detection in clay

Ballesteros-Rueda, Luz M.; Herrera-Sandoval, Gloria Marcela; Mina, Nairmen; Castro-Rosario, Miguel E.; Briano, Julio G.; Hernández‐Rivera, Samuel P.

doi:10.1117/12.666539

Cited by 4 publications

(3 citation statements)

References 1 publication

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“…Therefore, the PETN signals were overlapped by water vapor ro‐vibrational signals, preventing visual inspection and limiting the difference spectra representations to the spectral region of 700 to 1300 cm −1 . Comparing the vibrational LITE signatures with PETN reference bands confirms the NO 2 symmetric stretch mode at 1282 cm −1 , which is fairly close to the reference value of 1285 cm −1 reported in previous studies . Intense bands were present in most of the PETN spectra of the various substrates studied.…”

Section: Resultssupporting

confidence: 88%

Chemometrics‐enhanced laser‐induced thermal emission detection of PETN and other explosives on various substrates

Figueroa-Navedo

Galán-Freyle

Pacheco‐Londoño

et al. 2015

Journal of Chemometrics

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Infrared emissions (IREs) of samples of pentaerythritol tetranitrate (PETN) deposited as contamination residues on various substrates were measured to generate models for the detection and discrimination of the important nitrate ester from the emissions of the substrates. Mid-infrared emissions were generated by heating the samples remotely using laser-induced thermal emission (LITE). Chemometrics multivariate analysis techniques such as principal component analysis (PCA), soft independent modeling by class analogy (SIMCA), partial least squares-discriminant analysis (PLS-DA), support vector machines (SVMs), and neural network (NN) were employed to generate the models for the classification and discrimination of PETN IREs from substrate thermal emissions. PCA exhibited less variability for the LITE spectra of PETN/substrates. SIMCA was able to predict only 44.7% of all samples, while SVM proved to be the most effective statistical analysis routine, with a discrimination performance of 95%. PLS-DA and NN achieved prediction accuracies of 94% and 88%, respectively. High sensitivity and specificity values were achieved for five of the seven substrates investigated.

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Section: Resultssupporting

confidence: 88%

Chemometrics‐enhanced laser‐induced thermal emission detection of PETN and other explosives on various substrates

Figueroa-Navedo

Galán-Freyle

Pacheco‐Londoño

et al. 2015

Journal of Chemometrics

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“…Degradation of bulk PETN in the presence of UV light has been previously reported and has been proposed as a mechanism for remediation of contaminated surfaces and soils. [18,19] UV photo-decomposition has also been employed to enhance the detection of PETN off surfaces from standoff (> 10 m) distances. [20] Ozonolysis of PETN has not been previously reported under the conditions studied, and may have a minor contribution to the near 50 % loss observed in the O 3 environment (when O 3 and Lab conditions were compared).…”

Section: Resultsmentioning

confidence: 99%

Quantifying the stability of trace explosives under different environmental conditions using electrospray ionization mass spectrometry

Sisco

Najarro

Samarov

et al. 2017

Talanta

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This work investigates the stability of trace (tens of nanograms) deposits of six explosives: erythritol tetranitrate (ETN), pentaerythritol tetranitrate (PETN), cyclotrimethylenetrinitramine (RDX), cyclotetramethylenetetranitramine (HMX), 2,4,6-trinitrotoluene (TNT), and 2,4,6-trinitrophenylmethylnitramine (tetryl) to determine environmental stabilities and lifetimes of trace level materials. Explosives were inkjet printed directly onto substrates and exposed to one of seven environmental conditions (Laboratory, −4 °C, 30 °C, 47 °C, 90 % relative humidity, UV light, and ozone) up to 42 days. Throughout the study, samples were extracted and quantified using electrospray ionization mass spectrometry (ESI-MS) to determine the stability of the explosive as a function of time and environmental exposure. Statistical models were then fit to the data and used for pairwise comparisons of the environments. Stability was found to be exposure and compound dependent with minimal sample losses observed for HMX, RDX, and PETN while substantial and rapid losses were observed in all conditions except −4 °C for ETN and TNT and in all conditions for tetryl. The results of this work highlight the potential fate of explosive traces when exposed to various environments.

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“…2,2-bis[(nitrooxy)methyl]-1,3propanediol dinitrate (pentaerythritol tetranitrate (PETN), Figure 1) is the most commonly used nitrate ester for these applications. Often, PETN is used in mixture with hexahydro-1,3,5-triazine (RDX) to produce Semtex plastic explosive and improvised explosive devices (IEDs) (3) and it has been detected in postexplosion debris (4). Currently, PETN is not vigorously regulated and the threshold limit value (TLV) and maximum workplace concentration (MAK) have not been established.…”

Section: Introductionmentioning

confidence: 99%

Degradation of Pentaerythritol Tetranitrate (PETN) by Granular Iron

Gui

Gillham

2008

Environ. Sci. Technol.

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Pentaerythritol tetranitrate (PETN), a nitrate ester, is used primarily as an explosive. It is of environmental concern, posing a threat to aquatic organisms with an estimated EC50 five times greater than that of RDX. This study evaluated the kinetics and products of PETN degradation in the presence of granular iron. PETN transformation in columns containing 100% granular iron and 30% iron mixed with 70% silica sand followed pseudo first-order kinetics, with average half-lives of 0.26 and 1.58 min, respectively. The reduction pathway was proposed to be sequential denitration, in which PETN was stepwise reduced to pentaerythritol with the formation of pentaerythritol trinitrate and pentaerythritol dinitrate as intermediates. The intermediate of pentaerythritol mononitrate was not detected; however, the nearly 100% nitrogen mass recovery supported complete denitration. Nitrite was released in each denitration step and was subsequently reduced to ammonium by iron. Nitrate was not detected during the experiment suggesting that hydrolysis was not involved in PETN degradation. Batch experiments showed that when solid-phase PETN is present, dissolution is the rate-limiting factorfor PETN mass removal. Using 50% methanol as a cosolvent PETN solubility was enhanced and thus the removal efficiency was improved. The results demonstrate excellent potential of using iron to remediate PETN-contaminated water.

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Spectroscopic signatures of PETN: Part II. Detection in clay

Cited by 4 publications

References 1 publication

Chemometrics‐enhanced laser‐induced thermal emission detection of PETN and other explosives on various substrates

Chemometrics‐enhanced laser‐induced thermal emission detection of PETN and other explosives on various substrates

Quantifying the stability of trace explosives under different environmental conditions using electrospray ionization mass spectrometry

Degradation of Pentaerythritol Tetranitrate (PETN) by Granular Iron

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