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Melting properties of peptides and their solubility in water. Part 1: Dipeptides based on glycine or alanine

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dc.contributor.author Do H.
dc.contributor.author Chua Y.
dc.contributor.author Habicht J.
dc.contributor.author Klinksiek M.
dc.contributor.author Hallermann M.
dc.contributor.author Zaitsau D.
dc.contributor.author Schick C.
dc.contributor.author Held C.
dc.date.accessioned 2020-01-15T22:11:05Z
dc.date.available 2020-01-15T22:11:05Z
dc.date.issued 2019
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/156913
dc.description.abstract This journal is © The Royal Society of Chemistry. Melting properties (melting temperature, melting enthalpy and heat capacity difference between liquid and solid phase) of biomolecules are indispensable for natural and engineering sciences. The direct determination of these melting properties by using conventional calorimeters for biological compounds is often not possible due to decomposition during slow heating. In the current study this drawback is overcome by using fast scanning calorimetry (FSC) to directly measure the melting properties of five dipeptides (glycyl-glycine, glycyl-l-alanine, l-alanyl-glycine, l-alanyl-l-alanine and cyclo(l-alanyl-glycine)). The experimental melting properties were used as inputs into a thermodynamic solid-liquid equilibrium relation to predict solubility of the dipeptides in water. The required activity coefficients were predicted with PC-SAFT using solubility-independent model parameters. PC-SAFT predicted different solubility profiles (solubility vs. temperature) of isomers. The predictions were validated by new experimental solubility data, and the crystal structure of the dipeptides in saturated solution was verified by X-ray diffraction. The different water solubility profiles of isomers (glycyl-l-alanine and l-alanyl-glycine) were found to be caused by the big difference in the melting enthalpy of the two dipeptides. To conclude, combining the PC-SAFT and FSC methods allows for accurate prediction of dipeptide solubility in water in a wide temperature range without the need to fit any model parameters to experimental solubility data.
dc.title Melting properties of peptides and their solubility in water. Part 1: Dipeptides based on glycine or alanine
dc.type Article
dc.relation.ispartofseries-issue 56
dc.relation.ispartofseries-volume 9
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 32722
dc.source.id SCOPUS-2019-9-56-SID85073614895

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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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