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Determination of toxicity of the new organophosphorus and nuclear magnetic resonance of acetylcholine chloride

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Author(s):
Estela Munhoz Sega
Total Authors: 1
Document type: Master's Dissertation
Press: Campinas, SP.
Institution: Universidade Estadual de Campinas (UNICAMP). Faculdade de Ciências Médicas
Defense date:
Examining board members:
Nelci Fenalti Höehr; Wanda Pereira Almeida; Ernani Abicht Basso
Advisor: Nelci Fenalti Höehr; Roberto Rittner Neto
Abstract

This study analyzed the properties of the news organophosphorus. Experiments had been carried through to evaluate the inhibition of acetylcholinesterase of these organophosphorus, in vitro, through the modified EUman's method. In order to determine its cytotoxicity cells PC 12 had been used, with which we evaluate the cellular viability after contact with the organophosphorus and determined the IC50, different values were found for the diverse organophosphorus. Studies of acute toxicity had been carried through with mice, following the methodology recommended by the OECD in which determine the DL50 for three of the organophosphorus studied, being that one presented moderate toxicity. Coupling constants values ( Jhh and Jnc) obtained from the 'H and 13 C NMR spectra of acetylcholine chloride (ACh) in several solvents with a wide range of dielectric constants (e) are remarkably invariant, indicating an absence of solvent effects in the conformational equilibrium of this compound. Those values show that the OCH2CH2N+ system occurs in a synclinal conformation. The Jnh and Jnc are observable in most solvents, but not in chlorine-containing solvents and are not dependent on solvent viscosity. This behavior was explained using data from Ti measurements. The measurement of NMR diffusion coefficients show that ACh has a greater tendency to aggregate when dissolved in chlorinated solvents, a fact that could explain the observed differences in 14N T1 (AU)