Articolele autorului Simona Funar-Timofei
Link la profilul stiintific al lui Simona Funar-Timofei

A tentative quantitative structure-toxicity relationship study of benzodiazepine drugs

Benzodiazepines belong to a large family of drugs, being used as hypnotics, anxiolytics, tranquillizers, anticonvulsants, in pre-medication and intravenous sedation. Several quantitative structure–toxicity (lethal oral dose for mouse) relationship (QSTR) models for 54 benzodiazepine derivatives have been developed. The molecular structure of these compounds was energetically optimized by molecular mechanics calculations. To the lowest energy conformations

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Hydractinia echinata test system. II. SAR toxicity study of some anilide derivatives of Naphthol-AS type

In this paper, a toxicity study for a series of anilides of Naphthol-AS type is presented. The toxicity of the model compounds was determined by using the Hydractinia echinata (Hydrozoa) test system. Conformational analysis of Naphthol-AS derivatives was performed to elucidate the possible enzymatic hydrolysis mechanism of these compounds. This mechanism occurs with different rates and always leads to a stoichiometric mixture of reaction products,

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Optimization of synthesis parameters in interfacial polycondensation using design of experiments

The reaction of phenylphosphonic dichloride with 4,4'-cyclohexylidenebisphenol by a gas-liquid interfacial polycondensation was investigated. The design of experiments (DoE) method is used for determination of the best reaction conditions. The correlation of simultaneous influence of the parameters (reaction time, reaction temperature, alkaline medium, reagents molar ratio) on yield and inherent viscosity was studied.

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