Effects of various strengths of acids on the electrophoretic behavior of weak bases in a non-aqueous solvent

Background: In this study, we used a hierarchical approach to develop quantitative structureactivity relationship (QSAR) models for modeling lipophilicity of a set of 81 aniline derivatives containing some pharmaceutical compounds. Objective: The multiple linear regression (MLR), principal component regression (PCR) and partial least square regression (PLSR) methods were utilized to construct QSAR models. Materials & Methods: Quantum mechanical calculations at the density functional theory level and 6- 311++G** basis set were carried out to obtain the optimized geometry and then, the comprehensive set of molecular descriptors was computed by using the Dragon software. Genetic algorithm (GA) was applied to select suitable descriptors which have the most correlation with lipophilicity of the studied compounds. Results: It was identified that such descriptors as Barysz matrix (SEigZ), hydrophilicity factor (Hy), Moriguchi octanol-water partition coefficient (MLOGP), electrophilicity (ω/eV) van der Waals volume (vWV) and lethal concentration (LC50/molkg-1) are the best descriptors for QSAR modeling. The high correlation coefficients and the low prediction errors for MLR, PCR and PLSR methods confirmed good predictability of the three models. Conclusion: In present study, the high correlation between experimental and predicted logP values of aniline derivatives indicated the validation and the good quality of the resulting three regression methods, but MLR regression procedure was a little better than the PCR and PLSR methods. It was concluded that the studied aniline derivatives are not hydrophilic compounds and this means these compounds hardly dissolve in water or an aqueous solvent.

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Study of Photocatalytic Dergradation, Kinetics and Microbial Activities of Copper (ii) Soya Urea Complex in Non Aqueous Media

Letters in Organic Chemistry ◽

10.2174/1570178617999200711175559 ◽

2020 ◽

Vol 17 ◽

Author(s):

Vandana Sukhadia ◽

Rashmi Sharma ◽

Asha Meena

Keyword(s):

Staphylococcus Aureus ◽

Photocatalytic Degradation ◽

Degradation Kinetics ◽

Waste Water Treatment ◽

Aqueous Media ◽

Research Work ◽

Solvent Polarity ◽

Urea Complex ◽

Pseudo First Order Reaction ◽

Aqueous Solvent

Aims: The aim of this research work is to synthesise, study and analyse photocatalytic degradation, kinetics and microbial activity of new surfactant Copper (II) soya urea complex(CSU). Background: Photocatalytic degradation has attracted the attention of scientific community throughout the world due to its multiple applications in environment, energy, waste water treatment, pollution control, green chemistry, etc. Copper (II) soya urea complex has been synthesized and characterized through FT-IR, NMR, ESR studies. Objective: Present work deals with the study of photocatalytic degradation of Copper (II) soya urea complex by using ZnO as semiconductor. This study employs a semiconductor catalyst using non polar and non aqueous solvent in photocatalytic degradation. Reaction rate is chosen as the photocatalytic activity, which has been governed by several factors. Antibacterial activities of Copper (II) complex have also been studied against Staphylococcus aureus. Method: Optical density (O.D.) was measured after different time intervals spectrophotometrically to measure the degradation of complex. Mueller-Hinton agar medium was used for antimicrobial activity of synthesized compound at different concentrations by disk/ well diffusion susceptibility testing. Result: Plot of 2+log O.D. (absorbance) versus time was plotted and found linear. The heterogeneous photocatalysis followed pseudo-first-order reaction kinetics.The present study suggests that Copper (II) soya urea (CSU) complex shows antibacterial activity against Staphylococcus aureus at different concentrations. Conclusion: The results were used to determine the rate of photocatalytic degradation of CSU complex .It has been found that rate of degradation varies with different parameters like concentration of complex, amount of catalyst, light intensity, solvent polarity etc. CSU complex derived from soyabean oil has been shown an inhibitory effect on the growth of S. aureus which may causes skin disease.

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Effect of dimethyl sulfoxide, urea, guanidine hydrochloride, and sodium chloride on hydrophobic interactions. Heats of dilution of tetrabutylammonium bromide and lithium bromide in mixed aqueous solvent systems

The Journal of Physical Chemistry ◽

10.1021/j100665a025 ◽

1972 ◽

Vol 76 (21) ◽

pp. 3050-3057 ◽

Cited By ~ 44

Author(s):

Martin J. Mastroianni ◽

M. J. Pikal ◽

Siegfried Lindenbaum

Keyword(s):

Sodium Chloride ◽

Dimethyl Sulfoxide ◽

Hydrophobic Interactions ◽

Guanidine Hydrochloride ◽

Tetrabutylammonium Bromide ◽

Lithium Bromide ◽

Heats Of Dilution ◽

Aqueous Solvent ◽

Solvent Systems

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ON THE RATE OF EXTRACTION OF A PROTEIN (SALMINE) FROM DESICCATED TISSUE BY AN AQUEOUS SOLVENT

Journal of Biological Chemistry ◽

10.1016/s0021-9258(18)88595-7 ◽

1913 ◽

Vol 14 (3) ◽

pp. 237-240

Author(s):

T.Brailsford Robertson

Keyword(s):

Aqueous Solvent ◽

Rate Of Extraction

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An In Vivo Predictive Dissolution Methodology (iPD Methodology) with a BCS Class IIb Drug Can Predict the In Vivo Bioequivalence Results: Etoricoxib Products

Pharmaceutics ◽

10.3390/pharmaceutics13040507 ◽

2021 ◽

Vol 13 (4) ◽

pp. 507

Author(s):

Isabel Gonzalez-Alvarez ◽

Marival Bermejo ◽

Yasuhiro Tsume ◽

Alejandro Ruiz-Picazo ◽

Marta Gonzalez-Alvarez ◽

...

Keyword(s):

Plasma Concentrations ◽

In Vitro Dissolution ◽

Case Examples ◽

Dissolution Studies ◽

Weak Bases ◽

Transit Times ◽

Class Iib ◽

The Impact

The purpose of this study was to predict in vivo performance of three oral products of Etoricoxib (Arcoxia® as reference and two generic formulations in development) by conducting in vivo predictive dissolution with GIS (Gastro Intestinal Simulator) and computational analysis. Those predictions were compared with the results from previous bioequivalence (BE) human studies. Product dissolution studies were performed using a computer-controlled multicompartmental dissolution device (GIS) equipped with three dissolution chambers, representing stomach, duodenum, and jejunum, with integrated transit times and secretion rates. The measured dissolved amounts were modelled in each compartment with a set of differential equations representing transit, dissolution, and precipitation processes. The observed drug concentration by in vitro dissolution studies were directly convoluted with permeability and disposition parameters from literature to generate the predicted plasma concentrations. The GIS was able to detect the dissolution differences among reference and generic formulations in the gastric chamber where the drug solubility is high (pH 2) while the USP 2 standard dissolution test at pH 2 did not show any difference. Therefore, the current study confirms the importance of multicompartmental dissolution testing for weak bases as observed for other case examples but also the impact of excipients on duodenal and jejunal in vivo behavior.

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