STATISTICAL STUDY OF STABILITY CONSTANTS FOR SOME AZO IMINE PHENOLIC DYES THEORETICALLY BY USING PARAMETERIZED METHOD (PM3)
Journal Title: WORLD JOURNAL PHARMACY AND PHARMACEUTICAL SCIENCE - Year 2019, Vol 8, Issue 4
Abstract
In this study, the study included the calculation of nine Azo imine phenolic dyes, which included nine Schiff bases. The parameters of the stability of the compounds under study were calculated at absolute temperatures (283K, 293K, 303K, 313K and 323K) using molecular modeling programs. Methods that included semi-empirical calculations were Parameterized Method (PM3). The polarizable conductor calculation model (CPCM) was used to calculate the physical variables in the solution phase instead of the gas phase using ethanol as a solvent. The stability constants were calculated using multiple Linear regression (MLR) analysis and using various descriptive variables selected to test their representatively of the observed variation in stability constants (K) values. These variables include a charge of C1, charge of C5, charge(C1-C7), Bond OH1, dipole moment and hardness. These values were correlated with K values. In this relationship, the values of K were calculated theoretically. The results obtained showed that the Parameterized Method (PM3) were preferable to the EDP method, although the method were able to complete this type of calculation And with a good efficiency in describing the effect of substituents on K values at all temperatures, these results were clearly indicated by the high correlation coefficients (R2) obtained from the regression analysis and the correlation between the practical values of K and those calculated theoretically.
Authors and Affiliations
Assist. Prof. Dr. Mohammad Mahmoud Hussein Al-Niemi
Keywords
Related Articles
- EP ID EP667351
- DOI -
- Views 141
- Downloads 0
PREVALENCE AND POSSIBLE RISK FACTORS ASSOCIATED WITH OVERWEIGHT AND OBESITY AMONG ADULTS IN MAYO AREA IN KHARTOUM STATE-SUDAN
This is a descriptive cross - sectional community based study, was carried out among adults in Mayo area in Khartoum State - Sudan, aims to estimate the prevalence of and to identify the possible risk factors associated...
REVIEW ON BUCCUL PATCHES AS A NOVEL DRUG DELEVERY SYSTEM
Buccal drug delivery systems relate with the mucus layer casing the mucosal epithelial superficial, and mucin molecules and rise the residence time of the dosage form at the location of absorption. The objective of this...
CHEMO-SUPPRESSIVE ACTIVITIES OF CLOTRIMAZOLE AND GABAPENTIN IN A MURINE MALARIAL MODEL
AIM: To assess the chemo-suppressive activities of clotrimazole and gabapentin in a murine malarial model by four-day suppressive test. STUDY DURATION: This study was done between June and December, 2017. METHOD: Clotri...
PHARMACOLOGICAL IMPORTANCE OFCLITORIA TERNATEA –A REVIEW
Medicinal and aromatic plants have been used over the ages for its potency and minimal side effects. Due to this, the exploration is at its highest peak. Seeing this phenomenon the climbing plant Clitoria ternatea (CT) b...
EPIGENETICS
Epigenetics refer to the study of heritable changes in gene function that do not involve changes in the DNA sequence. It involves covalent modification of DNA, protein, or RNA, resulting in changes to the function and re...