Chagas disease is one of the leading public health problems. More than 8 million people are affected by the disease, endemic in 21 countries in Latin America, generating an average...
Phosphate ester was investigated as a corrosion inhibitor for AISI 1018 carbon steel in carbon dioxide‐saturated chloride solutions at different temperatures and pressures. The corrosion tests were realized by electrochemical techniques, weight loss measurements, bubble tests, and a high‐pressure/high‐temperature autoclave system. The corrosion tests demonstrated that the investigated molecule is an excellent corrosion inhibitor. The inhibiting effect is even bigger at high pressure and temperature than at atmospheric pressure and room temperature. The thermodynamic parameters were calculated and determined to obey the Langmuir isotherm. Polarization studies revealed that the evaluated inhibitor is a mixed type.
This is an initial study using infrared (IR) in silico data as a standard database in preliminary method for new synthetic seized drugs.For this purpose, ten of the most common synthetic illicit seized substances on the Brazilian market were compared and computational chemistry was used as a tool for theoretical standard database. Infrared data from standard electronic library, experimental data from seized samples and data simulated by Density Functional Theory (DFT) were evaluated. The feasibility of the method was based on the degree of correlation of evaluated data. The results suggest that the computational methodology can be a viable way to analyze the structures of new synthetic drugs and obtain preliminary infrared profiles. Correlations data indicated a presumptive identification of the analyzed samples and it was also possible to observe a preliminary identification of drugs in five classes. However, it was observed that some synthetic cathinones and phenylethylamines were confused with amphetamines. Therefore, new studies must be developed to optimize the use of these data, because the simulated IR spectra can be advantageous to evaluate the profile of possible substances that may be synthesized in the future.
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