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Log D analysis using dynamic approach.

ABSTRACT: Log D the logarithm ( log10 ) of the distribution coefficient ( D ), is one of the important parameters used in Lipinski's rule to assess the druggability of a molecule in pharmaceutical formulations. The distribution of a molecule between a hydrophobic organic phase and an aqueous buffer phase is influenced by the pH of the buffer system. In this work, we used both the conventional algebraic method and the generalized 'dynamic' approach to model the distribution coefficient of amphoteric, diamino-monoprotic molecule and monoprotic acid in the presence of salt or co-solvent. We have shown the equivalence of these methods by analysing the recently reported experimental data of amphoteric molecules such as nalidixic acid, mebendazole, benazepril and telmisartan.

SUBMITTER: Krishnamoorthy G

PROVIDER: S-EPMC6126412 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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Log D analysis using dynamic approach.

Krishnamoorthy Ganeshkumar G Alluvada Prashanth P Alemayehu Esayas E Mohammed Sherieff Shahul Hameed SH Addi Wasihun A WA Kwa Timothy T Krishnamoorthy Janarthanan J

Biochemistry and biophysics reports 20180903

Log D the logarithm ( log10 ) of the distribution coefficient ( D ), is one of the important parameters used in Lipinski's rule to assess the druggability of a molecule in pharmaceutical formulations. The distribution of a molecule between a hydrophobic organic phase and an aqueous buffer phase is influenced by the pH of the buffer system. In this work, we used both the conventional algebraic method and the generalized 'dynamic' approach to model the distribution coefficient of amphoteric, diami ...[more]

PMID: 30197931

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Project description:The world is gradually moving toward a severe energy crisis, with an ever-increasing demand for energy overstepping its supply. Therefore, the energy crisis in the world has shed important light on the need for enhanced oil recovery to provide an affordable energy supply. Inaccurate reservoir characterization may lead to the failure of enhanced oil recovery projects. Thus, the accurate establishment of reservoir characterization techniques is required to successfully plan and execute the enhanced oil recovery projects. The main objective of this research is to obtain an accurate approach that can be used to estimate rock types, flow zone indicators, permeability, tortuosity, and irreducible water saturation for uncored wells based on electrical rock properties that were obtained from only logging tools. The new technique is obtained by modifying the Resistivity Zone Index (RZI) equation that was presented by Shahat et al. by taking the tortuosity factor into consideration. When true formation resistivity (Rt) and inverse porosity (1/Φ) are correlated on a log-log scale, unit slope parallel straight lines are produced, where each line represents a distinct electrical flow unit (EFU). Each line's intercept with the y-axis at 1/Φ = 1 yields a unique parameter specified as the Electrical Tortuosity Index (ETI). The proposed approach was validated successfully by testing it on log data from 21 logged wells and comparing it to the Amaefule technique, which was applied to 1135 core samples taken from the same reservoir. Electrical Tortuosity Index (ETI) values show marked accuracy for representing reservoir compared with Flow Zone Indicator (FZI) values obtained by the Amaefule technique and Resistivity Zone Index (RZI) values obtained by the Shahat et al. technique, with correlation coefficients of determination (R2) values equal to 0.98 and 0.99, respectively. Hence, by using the new technique, the Flow Zone Indicator, permeability, tortuosity, and irreducible water saturation were estimated and then compared with the obtained results from the core analysis, which showed a great match with the R2-values of 0.98, 0.96, 0.98, and 0.99, respectively.

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Log D analysis using dynamic approach.

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Log D analysis using dynamic approach.

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