Dependence of Eutectic - Composition on Densities of Components of Binary Eutectic Mixtures of Solid Carboxylic Acids

Sharma, Sandeep

doi:10.9790/5736-0311822

Cited by 2 publications

(2 citation statements)

References 9 publications

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“…According to our literature survey, among all mixtures, 58 systems are immiscible in the solid state. This subclass comprises simple eutectics of all considered types of phenolic acids including their precursors, namely, benzoic acid ,− and cinnamic acid ,, and their hydroxylated analogues. ,− ,− Although in simple eutectics the nonsubstituted benzoic acids are dominant, there are, however, some interesting exclusions. Indeed, examples of solid state associates formed by these coformers include many pharmaceutically relevant complexes, such as a carbamazepine-cinnamic acid molecular complex and benzoic acid cocrystals with many various APIs and drug-like compounds such as aromatic amides (isonicotinamide, 4-(1 H -pyrazol-1-ylmethyl)benzamide), amines (1,2-diaminobenzene, 1,2-diaminobenzene), diazepams (nevirapine), methylxanthines (caffeine, etofylline), and other heterocycles (trimethroprim, flucytosine).…”

Section: Resultsmentioning

confidence: 99%

Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers

Przybyłek

Cysewski

2018

Crystal Growth & Design

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The multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used for model generation comprised literature data enriched with our new experimental results. From all 1445 descriptors computable in PaDEL, only 13 orthogonal descriptors with the highest predicting power were taken into account. The analysis revealed the importance of the parameters characterizing atom types (naaN, SHsOH, SsssN, nHeteroRing, maxHBint6, C1SP2), autocorrelation functions (ATSC1i, AATSC1v, MATS8m, GATS1i), and also other molecule structure measures (WTPT-5, MLFER_A, MDEN-22). The proposed approach is very simple and requires only information about the structure encoded in canonical SMILES string. The inversion of the problem of cocrystal screening and focusing on the homogeneous group of coformers for cocrystallization with a variety of drugs rather than seeking coformers for a particular active pharmaceutical ingredient proved to be very efficient. This led to very valuable clues for selection of pairs for cocrystallization with a probability of about 80%.

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Section: Resultsmentioning

confidence: 99%

Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers

Przybyłek

Cysewski

2018

Crystal Growth & Design

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“…In addition to binary alloy systems, binary systems of organic compounds have been described, such as phenol– p -toluidine, triphenylmethane–stilbene, naphthalene–biphenyl, , and naphthalene– p -dichlorobenzene . The eutectic temperatures of a variety of binary polycyclic aromatic compounds, aromatic compounds and carboxylic acids have also been studied. However, the complex binary phase diagrams with congruent or incongruent melting points, which are more common than the simple eutectic ones, are still seldom observed in laboratory teaching.…”

mentioning

confidence: 99%

Binary Solid–Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

Wang

2014

J. Chem. Educ.

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The determination of the solid–liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid–liquid phase diagrams are more common. In this article, the cooling curves of phenol–t-butanol mixtures are measured and the phase diagram of this system is found to give three eutectic points and two congruent melting points. The laboratory provides the students a practical way to investigate a complex system with their own efforts and teamwork spirit.

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Dependence of Eutectic - Composition on Densities of Components of Binary Eutectic Mixtures of Solid Carboxylic Acids

Cited by 2 publications

References 9 publications

Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers

Distinguishing Cocrystals from Simple Eutectic Mixtures: Phenolic Acids as Potential Pharmaceutical Coformers

Binary Solid–Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

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