FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2774352840> ?p ?o ?g. }

• W2774352840 endingPage "278" @default.
• W2774352840 startingPage "265" @default.
• W2774352840 abstract "The assumptions and models for solubility modelling or prediction in systems using non-polar solvents, or water and complex triterpene and other active pharmaceutical ingredients as solutes aren't well studied. Furthermore, the assumptions concerning heat capacity effects (negligibility, experimental values or approximations) are explored, using non-polar solvents (benzene), or water as reference solvents, for systems with solute melting points in the range of 306–528 K and molecular weights in the range of 90–442 g/mol. New empirical estimation methods for the ΔfusCpi of APIs are presented which correlate the solute molecular masses and van der Waals surface areas with ΔfusCpi. Separate empirical parameters were required for oxygenated and non-oxygenated solutes. Subsequently, the predictive capabilities of the various approaches to solubility modelling for complex pharmaceuticals, for which data is limited, are analysed. The solute selection is based on a principal component analysis, considering molecular weights, fusion temperatures, and solubilities in a non-polar solvent, alcohol, and water, where data was available. New NRTL-SAC parameters were determined for selected steroids, by regression. The original UNIFAC, modified UNIFAC (Dortmund), COSMO-RS (OL), and COSMO-SAC activity coefficient predictions are then conducted, based on the availability of group constants and sigma profiles. These are undertaken to assess the predictive capabilities of these models when each assumption concerning heat capacity is employed. The predictive qualities of the models are assessed, based on the mean square deviation and provide guidelines for model selection, and assumptions concerning phase equilibrium, when designing solid–liquid separators for the pharmaceutical industry on process simulation software. The most suitable assumption regarding ΔfusCpi was found to be system specific, with modified UNIFAC (Dortmund) performing well in benzene as a solvent system, while original UNIFAC performs better in aqueous systems. Original UNIFAC outperforms other predictive models tested in the triterpene/steroidal systems, with no significant influence from the assumptions regarding ΔfusCpi." @default.
• W2774352840 created "2017-12-22" @default.
• W2774352840 creator A5042192677 @default.
• W2774352840 creator A5070089086 @default.
• W2774352840 creator A5073337058 @default.
• W2774352840 date "2018-05-01" @default.
• W2774352840 modified "2023-10-12" @default.
• W2774352840 title "Model evaluation for the prediction of solubility of active pharmaceutical ingredients (APIs) to guide solid–liquid separator design" @default.
• W2774352840 cites W179229969 @default.
• W2774352840 cites W1963513806 @default.
• W2774352840 cites W1967357378 @default.
• W2774352840 cites W1969144042 @default.
• W2774352840 cites W1973816054 @default.
• W2774352840 cites W1976883040 @default.
• W2774352840 cites W1977118315 @default.
• W2774352840 cites W1982533081 @default.
• W2774352840 cites W1983107047 @default.
• W2774352840 cites W1983714934 @default.
• W2774352840 cites W1983767993 @default.
• W2774352840 cites W1987038728 @default.
• W2774352840 cites W1987856304 @default.
• W2774352840 cites W1992902665 @default.
• W2774352840 cites W1994726616 @default.
• W2774352840 cites W1997059007 @default.
• W2774352840 cites W2000246436 @default.
• W2774352840 cites W2003670938 @default.
• W2774352840 cites W2009768990 @default.
• W2774352840 cites W2013918877 @default.
• W2774352840 cites W2018695359 @default.
• W2774352840 cites W2025264598 @default.
• W2774352840 cites W2027413989 @default.
• W2774352840 cites W2027674790 @default.
• W2774352840 cites W2030222575 @default.
• W2774352840 cites W2030841140 @default.
• W2774352840 cites W2032930874 @default.
• W2774352840 cites W2034624701 @default.
• W2774352840 cites W2038795762 @default.
• W2774352840 cites W2039762122 @default.
• W2774352840 cites W2041278780 @default.
• W2774352840 cites W2053599153 @default.
• W2774352840 cites W2056043108 @default.
• W2774352840 cites W2058504160 @default.
• W2774352840 cites W2060482516 @default.
• W2774352840 cites W2061851998 @default.
• W2774352840 cites W2065200020 @default.
• W2774352840 cites W2068309081 @default.
• W2774352840 cites W2073328513 @default.
• W2774352840 cites W2076715063 @default.
• W2774352840 cites W2084199137 @default.
• W2774352840 cites W2092514335 @default.
• W2774352840 cites W2093627206 @default.
• W2774352840 cites W2094246322 @default.
• W2774352840 cites W2111270105 @default.
• W2774352840 cites W2126367100 @default.
• W2774352840 cites W2127369447 @default.
• W2774352840 cites W2134783601 @default.
• W2774352840 cites W2140639022 @default.
• W2774352840 cites W2146267084 @default.
• W2774352840 cites W2171250148 @default.
• W2774352840 cites W2321914278 @default.
• W2774352840 cites W2549829838 @default.
• W2774352840 cites W2614563649 @default.
• W2774352840 cites W4236075548 @default.
• W2774352840 doi "https://doi.org/10.1016/j.ajps.2017.12.004" @default.
• W2774352840 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7032238" @default.
• W2774352840 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32104400" @default.
• W2774352840 hasPublicationYear "2018" @default.
• W2774352840 type Work @default.
• W2774352840 sameAs 2774352840 @default.
• W2774352840 citedByCount "14" @default.
• W2774352840 countsByYear W27743528402019 @default.
• W2774352840 countsByYear W27743528402020 @default.
• W2774352840 countsByYear W27743528402021 @default.
• W2774352840 countsByYear W27743528402022 @default.
• W2774352840 countsByYear W27743528402023 @default.
• W2774352840 crossrefType "journal-article" @default.
• W2774352840 hasAuthorship W2774352840A5042192677 @default.
• W2774352840 hasAuthorship W2774352840A5070089086 @default.
• W2774352840 hasAuthorship W2774352840A5073337058 @default.
• W2774352840 hasBestOaLocation W27743528401 @default.
• W2774352840 hasConcept C121332964 @default.
• W2774352840 hasConcept C126061179 @default.
• W2774352840 hasConcept C1276947 @default.
• W2774352840 hasConcept C154881586 @default.
• W2774352840 hasConcept C155574463 @default.
• W2774352840 hasConcept C161790260 @default.
• W2774352840 hasConcept C170961132 @default.
• W2774352840 hasConcept C178790620 @default.
• W2774352840 hasConcept C184651966 @default.
• W2774352840 hasConcept C185592680 @default.
• W2774352840 hasConcept C187434265 @default.
• W2774352840 hasConcept C2775973084 @default.
• W2774352840 hasConcept C2780471494 @default.
• W2774352840 hasConcept C29705727 @default.
• W2774352840 hasConcept C32909587 @default.
• W2774352840 hasConcept C40117563 @default.
• W2774352840 hasConcept C43617362 @default.
• W2774352840 hasConcept C61978335 @default.

• next