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  • Author or Editor: M. Ganjali x
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Abstract  

Thermodynamics of the interaction between erbium(III) chloride, Er3+, with human serum albumin (HSA), was investigated at pH 7.0 and in phosphate buffer by isothermal titration calorimetry. Our recently, solvation model was used to reproduce the enthalpies of HSA interaction by Er3+ over a broad range of metal ion concentration. The solvation parameters recovered from our new model, attributed to the structural change of HSA and its biological activity. The binding parameters for the interaction of Er3+ and HSA indicate that the concentrations of Er3+ have no significant effects on the structure of HSA.

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Summary

Multiple linear regression (MLR) and partial least squares (PLS) analysis have been used to model gas chromatographic retention times (t R) of 77 components of the essential oil of Ottonia martiana. The genetic algorithm (GA) was used to select the variables that resulted in the best-fitting models. Appropriate models with low standard errors and high correlation coefficients were obtained. MLR and PLS analysis were performed to derive the best quantitative structure-retention relationship (QSRR) models. The predictive quality of the QSRR models was tested for an external prediction set of 15 compounds, randomly chosen from the 77 compounds. Surprisingly, the results were of approximately the same quality for MLR and PLS modeling [squared regression coefficients (R 2) of 0.964 and 0.968, respectively].

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