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1

Glaser, John A. "Chemical warfare agent simulants." Clean Technologies and Environmental Policy 10, no. 4 (September 2, 2008): 319–21. http://dx.doi.org/10.1007/s10098-008-0183-2.

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HERNÁNDEZ-RIVERA, SAMUEL P., LEONARDO C. PACHECO-LONDOÑO, OLIVA M. PRIMERA-PEDROZO, ORLANDO RUIZ, YADIRA SOTO-FELICIANO, and WILLIAM ORTIZ. "VIBRATIONAL SPECTROSCOPY OF CHEMICAL AGENTS SIMULANTS, DEGRADATION PRODUCTS OF CHEMICAL AGENTS AND TOXIC INDUSTRIAL COMPOUNDS." International Journal of High Speed Electronics and Systems 17, no. 04 (December 2007): 827–43. http://dx.doi.org/10.1142/s0129156407005016.

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This paper focuses on the measurement of spectroscopic signatures of Chemical Warfare Agent Simulants (CWAS), degradation products of chemical agents and Toxic Industrial Compounds (TIC) using vibrational spectroscopy. Raman Microscopy, Fourier Transform Infrared Spectroscopy in liquid and gas phase and Fiber Optics Coupled-Grazing Angle Probe-FTIR were used to characterize the spectroscopic information of target threat agents. Ab initio chemical calculations of energy minimization and FTIR spectra of Chemical Warfare Agents were accompanied by Cluster Analysis to correlate spectral information of real agents and simulants.
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3

Tušek, Dragutin, Danijela Ašperger, Ivana Bačić, Lidija Ćurković, and Jelena Macan. "Environmentally acceptable sorbents of chemical warfare agent simulants." Journal of Materials Science 52, no. 5 (November 9, 2016): 2591–604. http://dx.doi.org/10.1007/s10853-016-0552-x.

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4

Kittle, Joshua, Benjamin Fisher, Courtney Kunselman, Aimee Morey, and Andrea Abel. "Vapor Selectivity of a Natural Photonic Crystal to Binary and Tertiary Mixtures Containing Chemical Warfare Agent Simulants." Sensors 20, no. 1 (December 25, 2019): 157. http://dx.doi.org/10.3390/s20010157.

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Vapor sensing via light reflected from photonic crystals has been increasingly studied as a means to rapidly identify analytes, though few studies have characterized vapor mixtures or chemical warfare agent simulants via this technique. In this work, light reflected from the natural photonic crystals found within the wing scales of the Morpho didius butterfly was analyzed after exposure to binary and tertiary mixtures containing dimethyl methylphosphonate, a nerve agent simulant, and dichloropentane, a mustard gas simulant. Distinguishable spectra were generated with concentrations tested as low as 30 ppm and 60 ppm for dimethyl methylphosphonate and dichloropentane, respectively. Individual vapors, as well as mixtures, yielded unique responses over a range of concentrations, though the response of binary and tertiary mixtures was not always found to be additive. Thus, while selective and sensitive to vapor mixtures containing chemical warfare agent simulants, this technique presents challenges to identifying these simulants at a sensitivity level appropriate for their toxicity.
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5

Vorontsov, Alexandre V., Lev Davydov, Ettireddy P. Reddy, Claude Lion, Eugenii N. Savinov, and Panagiotis G. Smirniotis. "Routes of photocatalytic destruction of chemical warfare agent simulants." New Journal of Chemistry 26, no. 6 (June 6, 2002): 732–44. http://dx.doi.org/10.1039/b109837c.

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6

Kiddle, James J., and Stephen P. Mezyk. "Reductive Destruction of Chemical Warfare Agent Simulants in Water." Journal of Physical Chemistry B 108, no. 28 (July 2004): 9568–70. http://dx.doi.org/10.1021/jp047888o.

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7

Jenkins, R. A., M. V. Buchanan, R. Merriweather, R. H. Ilgner, T. M. Gayle, and A. P. Watson. "Movement of chemical warfare agent simulants through porous media." Journal of Hazardous Materials 37, no. 2 (May 1994): 303–25. http://dx.doi.org/10.1016/0304-3894(93)e0106-c.

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8

Li, Baoqiang, Jinglin Kong, Lin Zhang, Wenxiang Fu, Zhongyao Zhang, and Cuiping Li. "The ionization process of chemical warfare agent simulants in low temperature plasma ionization." European Journal of Mass Spectrometry 26, no. 5 (August 20, 2020): 341–50. http://dx.doi.org/10.1177/1469066720951943.

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The application of low-temperature plasma ionization technology in the chemical warfare agent detection was mostly focused on the research of rapid detection methods. Limited studies are available on the ionization process of chemical warfare agents in low temperature plasma. Through the intensity of protonated molecules of dimethyl methylphosphonate (DMMP) in different solvents including methanol, deuterated methanol (methanol-D4), pure water, and deuterium oxide (water-D2), it was concluded that the water molecule in the air provides the hydrogen ion (H+) needed for ionization. The product ion spectra and the collision-induced dissociation processes of protonated molecules of nerve agent simulants, including DMMP, diethyl methanephosphonate (DEMP), trimethyl phosphate (TMP), triethyl phosphate (TEP), tripropyl phosphate (TPP), and tributyl phosphate (TBP) were analyzed. Results revealed that H+ mostly combined with phosphorus oxygen double bond (P = O) in the low-temperature plasma ionization. By analyzing the peak intensity distribution of product ions of protonated molecules, the presence of proton and charge migration in the low temperature plasma ionization and collision-induced dissociation were researched. This study could provide technical guidance for the rapid and accurate detection of chemical warfare agents through low temperature plasma ionization-mass spectrometry.
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9

Tyndall, Nathan F., Todd H. Stievater, Dmitry A. Kozak, Kee Koo, R. Andrew McGill, Marcel W. Pruessner, William S. Rabinovich, and Scott A. Holmstrom. "Waveguide-enhanced Raman spectroscopy of trace chemical warfare agent simulants." Optics Letters 43, no. 19 (September 28, 2018): 4803. http://dx.doi.org/10.1364/ol.43.004803.

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10

Kim, Tae-Il, Shubhra Bikash Maity, Jean Bouffard, and Youngmi Kim. "Molecular Rotors for the Detection of Chemical Warfare Agent Simulants." Analytical Chemistry 88, no. 18 (August 26, 2016): 9259–63. http://dx.doi.org/10.1021/acs.analchem.6b02516.

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11

Ferguson-McPherson, Melinda K., Emily R. Low, Alan R. Esker, and John R. Morris. "Corner Capping of Silsesquioxane Cages by Chemical Warfare Agent Simulants." Langmuir 21, no. 24 (November 2005): 11226–31. http://dx.doi.org/10.1021/la051477x.

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12

Johnson, Rhoma P., and Craig L. Hill. "Polyoxometalate oxidation of chemical warfare agent simulants in fluorinated media." Journal of Applied Toxicology 19, S1 (December 1999): S71—S75. http://dx.doi.org/10.1002/(sici)1099-1263(199912)19:1+3.3.co;2-r.

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13

Kanu, Abu B., Paul E. Haigh, and Herbert H. Hill. "Surface detection of chemical warfare agent simulants and degradation products." Analytica Chimica Acta 553, no. 1-2 (November 2005): 148–59. http://dx.doi.org/10.1016/j.aca.2005.08.012.

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14

Griest, W. H., R. S. Ramsey, C. H. Ho, and W. M. Caldwell. "Supercritical fluid extraction of chemical warfare agent simulants from soil." Journal of Chromatography A 600, no. 2 (May 1992): 273–77. http://dx.doi.org/10.1016/0021-9673(92)85558-b.

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15

SAMUELS, ALAN C., DWIGHT L. WOOLARD, TATIANA GLOBUS, BORIS GELMONT, ELLIOTT R. BROWN, JAMES O. JENSEN, RICHARD SUENRAM, and WILLIAM R. LOEROP. "ENVIRONMENTAL SENSING OF CHEMICAL AND BIOLOGICAL WARFARE AGENTS IN THE THz REGION." International Journal of High Speed Electronics and Systems 12, no. 02 (June 2002): 479–89. http://dx.doi.org/10.1142/s0129156402001198.

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Discrimination between hazardous materials in the environment and ambient constituents is a fundamental problem in environmental sensing. The ubiquity of naturally occurring bacteria, plant pollen, fungi, and other airborne materials makes the task of sensing for biological warfare (BW) agents particularly challenging. The spectroscopic properties of the chemical warfare (CW) agents in the long wavelength infrared (LWIR) region are important physical properties that have been successfully exploited for environmental sensing. However, in the case of BW agents, the LWIR region affords less distinction between hazardous and ambient materials. Recent studies of the THz spectroscopic properties of biological agent simulants, particularly bacterial spores, have yielded interesting and potentially useful spectral signatures of these materials. It is anticipated that with the advent of new THz sources and detectors, a novel environmental sensor could be designed that exploits the peculiar spectral properties of the biological materials. We will present data on the molecular spectroscopy of several CW agents and simulants as well as some THz spectroscopy of the BW agent simulants that we have studied to date, and discuss the prospectus with regard to detection probabilities through the application of sensor system modeling.
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16

Weetman, Catherine, Stuart Notman, and Polly L. Arnold. "Destruction of chemical warfare agent simulants by air and moisture stable metal NHC complexes." Dalton Transactions 47, no. 8 (2018): 2568–74. http://dx.doi.org/10.1039/c7dt04805j.

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17

Dennison, Genevieve H., Mark R. Sambrook, and Martin R. Johnston. "Interactions of the G-series organophosphorus chemical warfare agent sarin and various simulants with luminescent lanthanide complexes." RSC Adv. 4, no. 98 (2014): 55524–28. http://dx.doi.org/10.1039/c4ra10700d.

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18

Lee, Seong-Yeon, Dong-Il Jang, Doh-Yoon Kim, Ki-Ju Yee, Huu-Quang Nguyen, Jeongkwon Kim, Youngku Sohn, and Heesoo Jung. "UV laser decontamination of chemical warfare agent simulants CEPS and malathion." Journal of Photochemistry and Photobiology A: Chemistry 406 (February 2021): 112989. http://dx.doi.org/10.1016/j.jphotochem.2020.112989.

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19

Kim, Eunhee, Hyunji Lee, Sun-Kyung Choi, Myung-Han Yoon, and Han Bin Oh. "MALDI-TOF Mass Spectrometric Analysis of Chemical Warfare Nerve Agent Simulants." Bulletin of the Korean Chemical Society 37, no. 3 (February 14, 2016): 316–20. http://dx.doi.org/10.1002/bkcs.10672.

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20

Yoon, Suhyun, and David Keller. "Developing Sensors of Chemical Warfare Agent Simulants with Fluorescent Dye Molecules." Biophysical Journal 110, no. 3 (February 2016): 509a. http://dx.doi.org/10.1016/j.bpj.2015.11.2718.

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21

Kim, Yun-Ki, Hyun-Sang Yoo, Min-Cheol Kim, Hyun-Chul Hwang, Sam-Gon Ryu, and Hae-Wan Lee. "Decontamination of Chemical Warfare Agent Simulants using Vapor-phase Hydrogen Peroxide." Korean Chemical Engineering Research 52, no. 3 (June 1, 2014): 360–65. http://dx.doi.org/10.9713/kcer.2014.52.3.360.

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22

Asha, P., Mekhola Sinha, and Sukhendu Mandal. "Effective removal of chemical warfare agent simulants using water stable metal–organic frameworks: mechanistic study and structure–property correlation." RSC Advances 7, no. 11 (2017): 6691–96. http://dx.doi.org/10.1039/c6ra28131a.

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23

Dumlao, Morphy C., Laura E. Jeffress, J. Justin Gooding, and William A. Donald. "Solid-phase microextraction low temperature plasma mass spectrometry for the direct and rapid analysis of chemical warfare simulants in complex mixtures." Analyst 141, no. 12 (2016): 3714–21. http://dx.doi.org/10.1039/c6an00178e.

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24

Pan, Yong, Tengxiao Guo, Genwei Zhang, Junchao Yang, Liu Yang, and Bingqing Cao. "Detection of organophosphorus compounds using a surface acoustic wave array sensor based on supramolecular self-assembling imprinted films." Analytical Methods 12, no. 17 (2020): 2206–14. http://dx.doi.org/10.1039/d0ay00211a.

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25

McKenna, Josiah, Elizabeth S. Dhummakupt, Theresa Connell, Paul S. Demond, Dennis B. Miller, J. Michael Nilles, Nicholas E. Manicke, and Trevor Glaros. "Detection of chemical warfare agent simulants and hydrolysis products in biological samples by paper spray mass spectrometry." Analyst 142, no. 9 (2017): 1442–51. http://dx.doi.org/10.1039/c7an00144d.

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26

Ha, Seonggyun, Minhe Lee, Hyun Ook Seo, Sun Gu Song, Kyung-su Kim, Chan Heum Park, Il Hee Kim, Young Dok Kim, and Changsik Song. "Structural Effect of Thioureas on the Detection of Chemical Warfare Agent Simulants." ACS Sensors 2, no. 8 (August 16, 2017): 1146–51. http://dx.doi.org/10.1021/acssensors.7b00256.

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27

Lagasse, Bryan A., Laura McCann, Timothy Kidwell, Matthew S. Blais, and Carlos D. Garcia. "Decomposition of Chemical Warfare Agent Simulants Utilizing Pyrolyzed Cotton Balls as Wicks." ACS Omega 5, no. 32 (July 24, 2020): 20051–61. http://dx.doi.org/10.1021/acsomega.0c01619.

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28

Sahni, Mayank, and Bruce R. Locke. "Degradation of chemical warfare agent simulants using gas–liquid pulsed streamer discharges." Journal of Hazardous Materials 137, no. 2 (September 21, 2006): 1025–34. http://dx.doi.org/10.1016/j.jhazmat.2006.03.029.

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29

Brown, Hilary M., Trevor J. McDaniel, Karan R. Doppalapudi, Christopher C. Mulligan, and Patrick W. Fedick. "Rapid, in situ detection of chemical warfare agent simulants and hydrolysis products in bulk soils by low-cost 3D-printed cone spray ionization mass spectrometry." Analyst 146, no. 10 (2021): 3127–36. http://dx.doi.org/10.1039/d1an00255d.

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A new ambient ionization method, 3D-printed cone spray ionization mass spectrometry (3D-PCSI-MS), is implemented for rapid profiling of chemical warfare agent (CWA) simulants in unprepared soil samples.
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30

Kim, Jinuk, Hyewon Park, Jihyun Kim, Byung-Il Seo, and Joo-Hyung Kim. "SAW Chemical Array Device Coated with Polymeric Sensing Materials for the Detection of Nerve Agents." Sensors 20, no. 24 (December 8, 2020): 7028. http://dx.doi.org/10.3390/s20247028.

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G nerve agents are colorless, odorless, and lethal chemical warfare agents (CWAs). The threat of CWAs, which cause critical damage to humans, continues to exist, e.g., in warfare or terrorist attacks. Therefore, it is important to be able to detect these agents rapidly and with a high degree of sensitivity. In this study, a surface acoustic wave (SAW) array device with three SAW sensors coated with different sensing materials and one uncoated sensor was tested to determine the most suitable material for the detection of nerve agents and related simulants. The three materials used were polyhedral oligomeric silsesquioxane (POSS), 1-benzyl-3-phenylthiourea (TU-1), and 1-ethyl-3-(4-fluorobenzyl) thiourea (TU-2). The SAW sensor coated with the POSS-based polymer showed the highest sensitivity and the fastest response time at concentrations below the median lethal concentration (LCt50) for tabun (GA) and sarin (GB). Also, it maintained good performance over the 180 days of exposure tests for dimethyl methylphosphonate (DMMP). A comparison of the sensitivities of analyte vapors also confirmed that the sensitivity for DMMP was similar to that for GB. Considering that DMMP is a simulant which physically and chemically resembles GB, the sensitivity to a real agent of the sensor coated with POSS could be predicted. Therefore, POSS, which has strong hydrogen bond acid properties and which showed similar reaction characteristics between the simulant and the nerve agent, can be considered a suitable material for nerve agent detection.
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31

Hiscock, Jennifer R., Mark R. Sambrook, Jayne A. Ede, Neil J. Wells, and Philip A. Gale. "Disruption of a binary organogel by the chemical warfare agent soman (GD) and common organophosphorus simulants." Journal of Materials Chemistry A 3, no. 3 (2015): 1230–34. http://dx.doi.org/10.1039/c4ta04834b.

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32

Pascal, Sarah, David Moussa, Eugen Hnatiuc, and Jean-Louis Brisset. "Plasma chemical degradation of phosphorous-containing warfare agents simulants." Journal of Hazardous Materials 175, no. 1-3 (March 2010): 1037–41. http://dx.doi.org/10.1016/j.jhazmat.2009.10.114.

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33

Lavoie, J., Sree Srinivasan, and R. Nagarajan. "Using cheminformatics to find simulants for chemical warfare agents." Journal of Hazardous Materials 194 (October 2011): 85–91. http://dx.doi.org/10.1016/j.jhazmat.2011.07.077.

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34

Kittle, Joshua D., Benjamin P. Fisher, Anthony J. Esparza, Aimee M. Morey, and Scott T. Iacono. "Sensing Chemical Warfare Agent Simulants via Photonic Crystals of the Morpho didius Butterfly." ACS Omega 2, no. 11 (November 21, 2017): 8301–7. http://dx.doi.org/10.1021/acsomega.7b01680.

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35

Shen, Zhihao, Gulu Sandhu, Dan Li, Christopher E. Bara, Stephen B. Waldrup, Shariq Siddiqui, Christy R. Dillon, Brian K. MacIver, and Mark A. McHugh. "Solubility of chemical warfare agent simulants in supercritical carbon dioxide: experiments and modeling." Journal of Supercritical Fluids 30, no. 3 (August 2004): 273–80. http://dx.doi.org/10.1016/j.supflu.2003.09.006.

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36

Bartelt-Hunt, Shannon L., Detlef R. U. Knappe, and Morton A. Barlaz. "A Review of Chemical Warfare Agent Simulants for the Study of Environmental Behavior." Critical Reviews in Environmental Science and Technology 38, no. 2 (January 18, 2008): 112–36. http://dx.doi.org/10.1080/10643380701643650.

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37

Matatagui, D., M. J. Fernández, J. Fontecha, J. P. Santos, I. Gràcia, C. Cané, and M. C. Horrillo. "Love-wave sensor array to detect, discriminate and classify chemical warfare agent simulants." Sensors and Actuators B: Chemical 175 (December 2012): 173–78. http://dx.doi.org/10.1016/j.snb.2012.02.061.

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38

Seo, Jin Young, Kie Yong Cho, Jung-Hyun Lee, Min Wook Lee, and Kyung-Youl Baek. "Continuous Flow Composite Membrane Catalysts for Efficient Decomposition of Chemical Warfare Agent Simulants." ACS Applied Materials & Interfaces 12, no. 29 (June 26, 2020): 32778–87. http://dx.doi.org/10.1021/acsami.0c08276.

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39

Otrisal, Pavel, Stanislav Florus, Ghita Barsan, and Danut Mosteanu. "Employment of Simulants for Testing Constructive Materials Designed for Body Surface Isolative Protection in Relation to Chemical Warfare Agents." Revista de Chimie 69, no. 2 (March 15, 2018): 300–304. http://dx.doi.org/10.37358/rc.18.2.6094.

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Employment of simulants, thus spare testing compounds always takes the bigger value in the area of testing garments designated for body surface protection against the effects of chemical warfare agents. The aim of simulants usage is mainly to remove problems related to manipulation with high toxic compounds and to enable testing to such working places that have not got the permission for the treatment with chemical warfare agents and other highly toxic compounds. The paper summarizes some achieved results of measurements of chemical resistance which have been performed based on simulants. These results are put into mutual connection with the sulfur mustard which is recently used as a standard testing chemical compound.
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40

Matar, Hazem, Shirley C. Price, and Robert P. Chilcott. "Temporal effects of disrobing on the skin absorption of chemical warfare agents and CW agent simulants." Toxicology 278, no. 3 (December 2010): 344–45. http://dx.doi.org/10.1016/j.tox.2010.08.088.

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41

Sambrook, Mark R., Jack C. Vincent, Jayne A. Ede, Ian A. Gass, and Peter J. Cragg. "Experimental and computational study of the inclusion complexes of β-cyclodextrin with the chemical warfare agent soman (GD) and commonly used simulants." RSC Advances 7, no. 60 (2017): 38069–76. http://dx.doi.org/10.1039/c7ra03328a.

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42

Chou, Chih-Cong, and S. Randolph Long. "Chemical ionization Fourier transform mass spectrometry of chemical warfare agent simulants using laser-produced metal ions." Applied Optics 29, no. 33 (November 20, 1990): 4981. http://dx.doi.org/10.1364/ao.29.004981.

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43

Picard, Baptiste, Isabelle Chataigner, Jacques Maddaluno, and Julien Legros. "Introduction to chemical warfare agents, relevant simulants and modern neutralisation methods." Organic & Biomolecular Chemistry 17, no. 27 (2019): 6528–37. http://dx.doi.org/10.1039/c9ob00802k.

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This short review presents the current main chemical warfare agents and their most relevant simulants, and the recent catalytic and selective methods for their soft neutralization, potentially usable in the future as an alternative to “heavy” methods for decontamination.
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44

D'Agostino, P. A., and L. R. Provost. "Gas chromatographic retention indices of chemical warfare agents and simulants." Journal of Chromatography A 331 (January 1985): 47–54. http://dx.doi.org/10.1016/0021-9673(85)80005-4.

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45

Hu, Guangxiao, Wei Xiong, Haiyan Luo, Hailiang Shi, Zhiwei Li, Jing Shen, Xuejing Fang, Biao Xu, and Jicheng Zhang. "Raman Spectroscopic Detection for Simulants of Chemical Warfare Agents Using a Spatial Heterodyne Spectrometer." Applied Spectroscopy 72, no. 1 (July 10, 2017): 151–58. http://dx.doi.org/10.1177/0003702817719453.

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Raman spectroscopic detection is one of the suitable methods for the detection of chemical warfare agents (CWAs) and simulants. Since the 1980s, many researchers have been dedicated to the research of chemical characteristic of CWAs and simulants and instrumental improvement for their analysis and detection. The spatial heterodyne Raman spectrometer (SHRS) is a new developing instrument for Raman detection that appeared in 2011. It is already well-known that SHRS has the characteristics of high spectral resolution, a large field-of-view, and high throughput. Thus, it is inherently suitable for the analysis and detection of these toxic chemicals and simulants. The in situ and standoff detection of some typical simulants of CWAs, such as dimethyl methylphosphonate (DMMP), diisopropyl methylphosphonate (DIMP), triethylphosphate (TEP), diethyl malonate (DEM), methyl salicylate (MES), 2-chloroethyl ethyl sulfide (CEES), and malathion, were tried. The achieved results show that SHRS does have the ability of in situ analysis or standoff detection for simulants of CWAs. When the laser power was set to as low as 26 mW, the SHRS still has a signal-to-noise ratio higher than 5 in in situ detection. The standoff Raman spectra detection of CWAs simulants was realized at a distance of 11 m. The potential feasibility of standoff detection of SHRS for CWAs simulants has been proved.
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46

Cao, Libo, Peter de B. Harrington, and Chang Liu. "Two-Dimensional Nonlinear Wavelet Compression of Ion Mobility Spectra of Chemical Warfare Agent Simulants." Analytical Chemistry 76, no. 10 (May 2004): 2859–68. http://dx.doi.org/10.1021/ac035488b.

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47

Matatagui, D., M. J. Fernández, J. Fontecha, J. P. Santos, I. Gràcia, C. Cané, and M. C. Horrillo. "Discrimination and classification of chemical warfare agent simulants using a Love-wave sensor array." Procedia Engineering 25 (2011): 23–26. http://dx.doi.org/10.1016/j.proeng.2011.12.006.

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48

Antonacci, Amina, Maya D. Lambreva, Fabiana Arduini, Danila Moscone, Giuseppe Palleschi, and Viviana Scognamiglio. "A whole cell optical bioassay for the detection of chemical warfare mustard agent simulants." Sensors and Actuators B: Chemical 257 (March 2018): 658–65. http://dx.doi.org/10.1016/j.snb.2017.11.020.

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49

Park, Eun Ji, and Young Dok Kim. "Adsorption and Desorption of Chemical Warfare Agent Simulants on Silica Surfaces with Hydrophobic Coating." Bulletin of the Korean Chemical Society 34, no. 7 (July 20, 2013): 1967–71. http://dx.doi.org/10.5012/bkcs.2013.34.7.1967.

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50

James, Thomas, Stacey Wyke, Tim Marczylo, Samuel Collins, Tom Gaulton, Kerry Foxall, Richard Amlôt, and Raquel Duarte-Davidson. "Chemical warfare agent simulants for human volunteer trials of emergency decontamination: A systematic review." Journal of Applied Toxicology 38, no. 1 (October 9, 2017): 113–21. http://dx.doi.org/10.1002/jat.3527.

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