Chemical warfare agents simulants

Ma X. F., Zhu T., Xu H. Z., et ah. Rapid response behavior, at room temperature, of a nanofiber-structured TiOj sensor to selected simulant chemical-warfare agents, Anal. Bioanal. Chem., 390(4), 1133-1137, 2008. 

Production, Import/Export, Use, Release, and Disposal. The risk for exposure of the general population to substantial levels of diisopropyl methylphosphonate is quite low. GB (Sarin) and diisopropyl methylphosphonate have not been produced in the United States since 1957, and there is no indication that U.S. production of these chemicals will resume (EPA 1989). No information exists regarding the import or export of diisopropyl methylphosphonate. Diisopropyl methylphosphonate has no known commercial uses, but has been used by the military as a simulant for chemical warfare agents (Van Voris et al. 1987). 

Griest WH, Ramsey RS, Ho CH, et al. 1992. Supercritical fluid extraction of chemical warfare agent simulants from soil. J Chromatogr 600(2) 273-277.. 

The detector model is capable of simulating both vapour and liquid detection systems. So far, about a dozen different detector systems are available. The detector model input signal (see 2.1) consists of i) a time concentration profile, ii) the identity of the chemical warfare agent (HD, GB, VX or L) and iii) the relative air humidity (RH < 80% or RH > 80%). 

The Chemical Incident Simulator simulates the dispersion of chemical warfare agents, detector responses, the effects of protective equipment, and die human toxicological responses for large numbers of scenarios. The possibilities and potentials offered by the Chemical Incident Simulator are illustrated best with an example. 

ACN and DCM are also known to be chemical warfare agent (CWA) simulants. ACN is a known simulant for blood CWAs, while DCM is a simulant for choking CWAs49 50. For determinations of ACN and DCM as CWA simulants, the detection limits need to be improved51. Such improvements may be possible by the application of more stable light source and detector to reduce noise in the measured signal. 

Model compounds (simulants) are often used to estimate the reactivity of organophosphorus pesticides and warfare agents toward potential remediation technologies because of their availability and ease of handling [5-18]. The structures of select organophosphorus pesticides, chemical warfare agents, and model compounds (simulants) are presented in Fig. 1. 

Figure 1 Structures of chemical warfare agents (sarin and soman), simulants (dimethyl methylphosphonate and diisoproyl fluorophosphate), and pesticides (paratliion and diazinon).

MIPs were doped with Eu3+ for optical detection of methylated salicylates (MES), a chemical warfare agent simulant [55]. Eu3+ absorbs in the near UV region and doped MIP can, therefore, be excited with a commonly available laser diode at 375 nm. MIP doped with Eu3+ was prepared as a thin film on a quartz slide substrate. Both the MIP and NIP films were tested towards MES and a structurally similar compound, methylene-3,5-dimethylbenzoate (DMB), in hexane. For MES,... 

The basic experimental studies of the interactions between organophosphorus compounds and metal oxide surfaces have been carried out intensively during the last several years. Metal oxides, such as MgO, AI2O3, FeO, CaO, Ti02 a-Fe203, ZnO, and WO3, are currently under consideration as destructive adsorbents for the decontamination of chemical warfare agents [46, 47], For example, several studies have addressed adsorption of dimethyl methylphosphonate (DMMP) (a widely used model compound for the simulation of interactions of phosphate esters with a surface) on the surface of these metal oxides [48-60], In most of these works, the authors have observed that, at first, DMMP is adsorbed molecularly via hydrogen... 

P.A. D Agostino and L.R. Provost, Gas Chromatographic retention indices of chemical warfare agents and simulants, J. Chromatogr., 331, 47-54 (1985). 

Bartelt-Hunt, S.L., Knappe, D.R.U., Barlaz, M.A. (2008). A review of chemical warfare agent simulants for the study of environmental behavior. Crit. Rev. Environ. Sci. Tech. 38 112-36. 

A previously developed PBPK-PD model for the CWNA surrogate DFP was parameterized to simulate the concentration and effects of low-level chemical warfare agents (CWAs) in the guinea pig after exposure by inhalation and subcutaneous injection. The model code was written to account for absorption of CWAs from multiple sites (respiratory tract - lower and upper, dermal, ocular) after... 

Johnson, R.P., Hill, C.L. (1999). Polyoxometalate oxidation of chemical warfare agent simulants in fluorinated media. J. Appl. Toxicol. 19 S71-5. 

Using the same MD simulations, Pavel et al.66 designed monomers for MIPs specific for chemical warfare agents. They showed successful prediction of interaction energies, the closest approach, distances and the active site groups. 

Keywords Chemical Warfare Agents Simulants, degradation compounds, Toxic Industrial Compounds, Cluster Analysis... 

In this paper several Chemical Warfare Agents Simulants (CWAS), some of their hydrolysis and degradation products, and Toxic Indnstrial Compounds (TIC s) were analyzed nsing vibrational spectroscopy. The objective of this work is to characterize the spectroscopic signatures of these threat compounds and to demonstrate, at laboratory scale, the capability of Infrared and Raman spectroscopy for generating methodologies for detection of CWA and TIC s. 

The tables that follow contain information on the Chemical Warfare Agents Simulants (Table 2), degradation products of actual chemical agents (Table 3) and on the Toxic Industrial Compounds (Table 4) studied. Raman Spectroscopy and Fourier Transform Infrared Spectroscopy were used for the vibrational analysis. Spectra were compared to... 

A. B. Kanua, Paul E. Haigh and Herbert H. Hill. Surface detection of chemical warfare agent simulants and degradation products H a/. Chim. Acta., 553,148-159 (2005). 

Many pesticides and chemical warfare agents are organophosphorus based compounds which are potent cholinesterase inhibitors. They are structurally related, and undergo similar reactions. Diisopropylmethyl phosphonate (DIMP) and dimethylmethyl phosphonate (DMMP) have been used as simulants because of their relatively low... 

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