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44379.1-LSNeuropathy target esterase (NTE) is the target for neuropathic organophosphorus compounds (OPs) that produce delayed neurotoxicity (OPIDN). Inhibition/aging of brain NTE predicts the potential for OPIDN in animal models. Lymphocyte NTE has also found use as a biomarker of human exposure to neuropathic OPs. Recently, a sensitive NTE biosensor was developed using a tyrosinase carbon-paste electrode for amperometric (Amp) detection of phenol produced by hydrolysis of the substrate, phenyl valerate. The I50 (20 min at 37 °C) for N,N'-di-2 propylphosphorodiamidofluoridate (mipafox) against hen lymphocyte NTE was 6.94 ± 0.28 •uM (Amp) and 6.02 ± 0.71 uM colorimetrically (Col). For O,O-di-1-propyl O-2,2-dichlorvinyl phosphate (PrDChVP), the I50 against hen brain NTE was 39 ± 8 nM (Amp) and 42 ± 2 nM (Col). I50 values (Amp) for PrDChVP against hen and human blood NTE were 66 ± 3 and 70 ± 14 nM, respectively. NTE activities in brain, lymphocytes, and blood were measured 24 h after dosing hens with PrDChVP. NTE inhibition was highly correlated between brain and lymphocyte (r = 0.994) and brain and blood (r = 0.997). Biosensor NTE assay for whole blood could serve as a biomarker of exposure to neuropathic OPs.12 (excluding cover forms) Biosensor, Delayed neurotoxicity, Mipafox, Organophosphorus compounds (OPs), Neuropathy target esterase (NTE).
Within the generalized gradient aproximation of the Density Functional Theory (DFT) with the PBE exchange-correlation functional in the basis of localized atomic orbital of CRYSTAL14 program code, the study is conducted to evaluate the structural, electronic and oscillatory properties of zinc nitrate and its crystal hydrates Zn(NO3)2 • nH2O (n = 2,4,6), with its tested method using the zinc oxide. The first-principle structural study is performed at the full optimization of the lattice distance and atomic positions for the zinc nitrate in the cubic lattice and that of crystal hydrates - in monoclinic lattice. Elastic properties of the nitrate are studied and the mechanical stability is approved using the Born criteria. Electronic properties of rated structures are assessed by energetic (energy-band picture, full and partial density of states) and spatial electron distribution (electronic and deformation density, population density of atomic membranes and density of their overlapping). Crystal hydrates show the electrostatic pattern of nitrogroup interaction and water molecules, availability of localized valence bands and areas of vacant state of anion and cation origin. Oscillatory properties are studied by calculation of frequencies and intensity of IR-active normal long-wave oscillation. In crystal hydrates, the appearance of additional oscillation frequency O-H in terms of nitrate 3000 cm-1 above the IR-spectrum in water molecules and within the area 1200÷1600 cm-1 - of hybrid with nitrogroups.
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