scholarly journals Measurement and Correlation for Solubility of Some Pyrimidine Derivatives in Different Solvents

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Kapil Bhesaniya ◽  
Shipra Baluja
Keyword(s):  
Atmospheric Pressure ◽  
Solubility Data ◽  
Dissolution Enthalpy ◽  
Mass Spectral Data ◽  
Pyrimidine Derivatives ◽  
Mass Spectral ◽  
Apelblat Equation ◽  
Modified Apelblat Equation ◽  
Experimental Solubility Data ◽  
Experimental Solubility

Some new pyrimidine derivatives have been synthesized and their characterization was done by IR, NMR, and mass spectral data. The solubility of these synthesized compounds has been studied in methanol, N,N dimethylformamide (DMF), and carbon tetrachloride (CCl4) by gravimetrical method from 298.15 to 328.15 K under atmospheric pressure and the solubility data were correlated against temperature. The solubility is found to increase with temperature and order of solubility is DMF > methanol > CCl4. The experimental solubility data is correlated with the modified Apelblat equation. Some thermodynamic parameters such as dissolution enthalpy, Gibbs energy of dissolution, and entropy of mixing have also been calculated.

scholarly journals Determination of the Solubility, Dissolution Enthalpy, and Entropy of Icariin in Acetone, Acetoacetate, Chloroform, and Light Petroleum

2020 ◽  
Vol 15 (11) ◽  
pp. 1934578X2097149
Author(s):  
Jiao Xie ◽  
Kanghuai Zhang ◽  
Haitao Wang ◽  
Xin Yang ◽  
Wenbin Mao ◽  
...  
Keyword(s):  
Light Petroleum ◽  
Solubility Data ◽  
Dissolution Enthalpy ◽  
Visible Spectrophotometry ◽  
Solubility Behavior ◽  
Apelblat Equation ◽  
Modified Apelblat Equation ◽  
Enthalpy And Entropy ◽  
The Difference

The solubility of icariin in acetone, acetoacetate, chloroform, and light petroleum in the 283.2‐318.2 K range was measured by ultraviolet-visible spectrophotometry. As the temperature increased, the solubility of icariin in the 4 solvents gradually increased. The solubility data correlated with the modified Apelblat equation. The dissolution enthalpy and entropy of icariin were determined using van’t Hoff plots. The dissolution enthalpy and entropy of icariin in the 4 solvents increases as acetone >acetoacetate >chloroform >light petroleum, which can be explained by the difference of the polarity indices between them. The polarity indices of the solvents affect the solubility behavior.

Measurement and Correlation of Solubility of Fructose Diphosphate Sodium in Ethanol + Water Mixtures

2014 ◽  
Vol 614 ◽  
pp. 65-69
Author(s):  
Yan Fei Wang ◽  
Yu Xiang Zhu ◽  
Xiao Yu Zhao ◽  
Shi Jie Xu ◽  
Lin Shan Hu ◽  
...  
Keyword(s):  
Atmospheric Pressure ◽  
Empirical Models ◽  
Binary Solvent ◽  
Experimental Solubility Data ◽  
Laser Monitoring ◽  
Experimental Solubility ◽  
Experimental Values ◽  
Semi Empirical ◽  
Laser Monitoring Observation Technique ◽  
Good Agreement

Using a laser monitoring observation technique, the solubility of fructose diphosphate sodium in binary solvent of ethanol + water mixtures was experimentally measured in the temperature ranging from 298.15 K to 333.15 K at atmospheric pressure. The solubility of fructose diphosphate sodium increased with an increase of temperature and quality percentage of water. Experimental solubility data were correlated with semi-empirical models; and the calculated solubilities of fructose diphosphate sodium show good agreement with the experimental values.

scholarly journals Solubility of Acetophenone in Supercritical Carbon Dioxide

2016 ◽  
Vol 10 (1) ◽  
pp. 18-28 ◽  
Author(s):  
Maria Y. Dwi ◽  
Jessica Julian ◽  
Jindrayani N. Putro ◽  
Adi T. Nugraha ◽  
Yi-Hsu Ju ◽  
...  
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Equation Of State ◽  
Supercritical Carbon Dioxide ◽  
Static Method ◽  
Solubility Data ◽  
Experimental Solubility Data ◽  
Experimental Solubility ◽  
Robinson Equation ◽  
Supercritical Carbon

The solubility data of acetophenone in supercritical carbon dioxide (scCO2) were measured using a static method at several temperatures (313.15, 323.15, 333.15, and 343.15K) and pressures ranging from10 MPa to 28 MPa. The density based models (Chrastil and Del valle– Aguilera models) and the Peng-Robinson equation of state (PR-EOS) with quadratic and Stryjek-Vera combining rules were employed to correlate the experimental data. Good correlations between the calculated and experimental solubility data were obtained. The sum of squared errors (SSE) are 0.38 % and 0.37 % for Chrastil and Del Valle – Aguilera models, respectively; and 9.07 % for Peng-Robinson equation of state with quadratic combining rule and 4.00 % for Peng-Robinson equation of state with Stryjek-Vera combining rule.

scholarly journals The importance of the accuracy of the experimental data for the prediction of solubility

2010 ◽  
Vol 75 (4) ◽  
pp. 483-495 ◽  
Author(s):  
Slavica Eric ◽  
Marko Kalinic ◽  
Aleksandar Popovic ◽  
Halid Makic ◽  
Elvisa Civic ◽  
...  
Keyword(s):  
Experimental Data ◽  
Computational Models ◽  
Linear Regression Analysis ◽  
Heuristic Method ◽  
Parameter Analysis ◽  
Solubility Data ◽  
Data Sets ◽  
Data Set ◽  
Experimental Solubility Data ◽  
Experimental Solubility

Aqueous solubility is an important factor influencing several aspects of the pharmacokinetic profile of a drug. Numerous publications present different methodologies for the development of reliable computational models for the prediction of solubility from structure. The quality of such models can be significantly affected by the accuracy of the employed experimental solubility data. In this work, the importance of the accuracy of the experimental solubility data used for model training was investigated. Three data sets were used as training sets - Data Set 1 containing solubility data collected from various literature sources using a few criteria (n = 319), Data Set 2 created by substituting 28 values from Data set 1 with uniformly determined experimental data from one laboratory (n = 319) and Data Set 3 created by including 56 additional components, for which the solubility was also determined under uniform conditions in the same laboratory, in the Data Set 2 (n = 375). The selection of the most significant descriptors was performed by the heuristic method, using one-parameter and multi-parameter analysis. The correlations between the most significant descriptors and solubility were established using multi-linear regression analysis (MLR) for all three investigated data sets. Notable differences were observed between the equations corresponding to different data sets, suggesting that models updated with new experimental data need to be additionally optimized. It was successfully shown that the inclusion of uniform experimental data consistently leads to an improvement in the correlation coefficients. These findings contribute to an emerging consensus that improving the reliability of solubility prediction requires the inclusion of many diverse compounds for which solubility was measured under standardized conditions in the data set.

scholarly journals Microwave assisted synthesis and antimicrobial activity of some novel pyrimidine derivatives

2007 ◽  
Vol 72 (2) ◽  
pp. 109-117 ◽  
Author(s):  
S.J. Vaghasia ◽  
V.H. Shah
Keyword(s):  
Antimicrobial Activity ◽  
Antimicrobial Activities ◽  
Microwave Assisted Synthesis ◽  
Mass Spectral Data ◽  
Pyrimidine Derivatives ◽  
Plate Method ◽  
Mass Spectral ◽  
Microwave Assisted ◽  
New Compounds

The synthesis of thiazolo[5,4-d]pyrimidines can be achieved from different 5- thiazolidinones, 2-butyl-1H-imidazole-5-carbaldehyde and thiourea using microwave irradiation within 5 min. The structures of the products were supported by FTIR, PMR and mass spectral data. The in vitro antimicrobial activity of the synthesized thiazolo[5,4-d]pyrimidines 1a-j, having substituents at the 1- and 3-positions, were determined by the cup-plate method against several standard strains chosen to define the spectrum and potency of the new compounds. The antimicrobial activities of the thiazolo[5,4-d]pyrimidines 1a-j are compared with those of known chosen standard drugs, viz. ampicillin, chloramphenicol, ciprofloxacin, norfloxacin and griseofulvin. .

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