35572-78-2Relevant articles and documents
ANALYTE DETECTION
-
, (2008/12/08)
The present invention relates to sensitive SE(R)RS based methods for detecting analytes such as explosives and drugs, which may be present in a sample at extremely low levels. The methods may be generally carried out in situ employing novel chemistry whic
Change in regioselectivity in the monoreduction of 2,4,6-trinitrotoluene with titanium(III) and vanadium(II) ions in the presence of iron(II) and copper(II) salts
Leibzon,Michalchenko,Leonova,Gultyai
, p. 1203 - 1207 (2007/10/03)
Small additives of iron(II) or copper(II) salts change the regioselectivity of 2,4,6-trinitrotoluene monoreduction with titanium(III) chloride affording predominantly less accessible 2-amino-4,6-dinitrotoluene over 4-amino-2,6-dinitrotoluene (from 25% when the reduction occurs in the absence of the iron and copper salts to 70% in the presence of these salts). A possible mechanism of the process is discussed.
The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene
Graham, Duncan,Kennedy, Alan R.,McHugh, Callum J.,Smith, W. Ewen,David, William I. F.,Shankland, Kenneth,Shankland, Norman
, p. 161 - 165 (2007/10/03)
The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene (TNT) have been determined by synchrotron X-ray powder diffraction (2-amino-4,6-dinitrotoluene) and single crystal X-ray diffraction (4-amino-2,6-dinitr
Treatment of trinitrotoluene by crude plant extracts
Medina, Victor F.,Larson, Steven L.,Agwaramgbo, Lovell,Perez, Waleska,Escalon, Lynn
, p. 725 - 732 (2008/12/21)
Crude plant extract solutions (spinach and parrotfeather) were prepared and spiked with 2,4,6-trinitrotoluene (TNT) (20 mgl-1). 90-h TNT removal by these solutions was compared to controls. Spinach and parrotfeather extract solutions removed 99
Diversity of Contaminant Reduction Reactions by Zerovalent Iron: Role of the Reductate
Miehr, Rosemarie,Tratnyek, Paul G.,Bandstra, Joel Z.,Scherer, Michelle M.,Alowitz, Michael J.,Bylaska, Eric J.
, p. 139 - 147 (2007/10/03)
The reactions of eight model contaminants with nine types of granular Fe(O) were studied in batch experiments using consistent experimental conditions. The model contaminants (herein referred to as "reductates" because they were reduced by the iron metal) included cations (Cu2+), anions (CrO42-, NO3-, and 5,5′,7,7′-indigotetrasulfonate), and neutral species (2-chloroacetophenone, 2,4,6-trinitrotoluene, carbon tetrachloride, and trichloroethene). The diversity of this range of reductates offers a uniquely broad perspective on the reactivity of Fe(O). Rate constants for disappearance of the reductates vary over as much as four orders of magnitude for particular reductates (due to differences in the nine types of iron) but differences among the reductates were even larger, ranging over almost seven orders of magnitude. Various ways of summarizing the data all suggest that relative reactivities with Fe(O) vary in the order Cu2+, 5,5′,7,7′ -indigotetrasulfonate > 2-chloroacetophenone, 2,4,6-trinitrotoluene > carbon tetrachloride, CrO42- > trichloroethene > NO3-. Although the reductate has the largest effect on disappearance kinetics, more subtle differences in reactivity due to the type of Fe(O) suggests that removal of CrO22- and NO 3- (the inorganic anions) involves adsorption to oxides on the Fe(O), whereas the disappearance kinetics of all other types of reductants is favored by reduction on comparatively oxide-free metal. Correlation analysis of the disappearance rate constants using descriptors of the reductates calculated by molecular modeling (energies of the lowest unoccupied molecular orbitals, LUMO, highest occupied molecular orbitals, HOMO, and HOMO-LUMO gaps) showed that reactivities generally decrease with increasing ELUMO and increasing EGAP (and, therefore, increasing chemical hardness η).
Selective functionalisation of TNT for sensitive detection by SERRS.
McHugh, Callum J,Keir, Ruth,Graham, Duncan,Smith, W Ewen
, p. 580 - 581 (2007/10/03)
Selective chemical functionalisation of 2,4,6-trinitrotoluene to a surface enhanced resonance Raman active species for sensitive detection.
Microbiotic synthesis of 14C-ringlabelled aminodinitrotoluenes (ADNT) and diaminonitrotoluenes (DANT)
Kroeger, Mario,Fels, Gregor
, p. 249 - 255 (2007/10/03)
The four 14C-ringlabelled TNT-metabolites 2-aminodinitrotoluene (2-ADNT), 4-aminodinitrotoluene (4-ADNT), 2,4-diaminonitrotoluene (2,4-DANT) and 2,6-diaminonitrotoluene (2,6-DANT) were synthesized in one step from TNT by reduction with baker's yeast (Saccharomyces cervisiae). Copyright
Effect of adsorption to elemental iron on the transformation of 2,4,6-trinitrotoluene and hexahydro-1,3,5-trinitro-1,3,5-triazine in solution
Oh, Seok-Young,Cha, Daniel K.,Kim, Byung J.,Chiu, Pei C.
, p. 1384 - 1389 (2007/10/03)
The effect of adsorption to elemental iron on the reductive transformation of 2,4,6-trinitrotoluene (TNT) and hexahydro-1,3,5-trinitro-1,3,5-triazine (royal demolition explosive [RDX]) in aqueous solution was studied with scrap iron and high-purity iron. In batch experiments with the same total iron surface area and a mixing rate of 100 rpm, TNT and RDX were removed from the solution within 30 min. With high-purity iron, adsorbed TNT was reduced to 2,4,6-triaminotoluene (TAT) rapidly, with little accumulation of intermediates at the surface. With scrap iron, the extent of adsorption of TNT and its daughter products was more significant and reduction of these adsorbed molecules to TAT was slower. Distribution of the intermediates indicated that the reaction with scrap iron occurred primarily through reduction of the ortho nitro group. Kinetic analysis suggests that mass transfer or adsorption of TNT controlled the overall rate of TNT reduction to TAT with pure iron, whereas with scrap iron, the rate of TAT formation was probably limited by other processes. Compared to TNT, transformation of adsorbed RDX was more rapid and less affected by iron type. The RDX was reduced to an unidentified, water-soluble intermediate and NH4+, which accounted for approximately 50% of the RDX nitrogen. No total organic carbon reduction was observed before and after RDX transformation with scrap iron.
Reaction of polynitrotoluenes with phthalic anhydride
Marshalkin,Brovko,Samet,Semenov
, p. 1244 - 1248 (2007/10/03)
2,4-Dinitro- and 2,4,6-trinitrotoluenes react with phthalic anhydride in boiling N,N-dimethylaniline to give nitro group reduction products.
