A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and Temperatures
Accurate Calcium Oxalate Monohydrate (COM) solubility measurements are essential for elucidating the physiochemical mechanism behind the formation of kidney stones, nephrolithiasis. Yet the reported solubility values of COM in ultrapure water, arguably the simplest solvent relevant for nephrolithias...
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MDPI AG
2020-10-01
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| author | Fatma Ibis Priya Dhand Sanan Suleymanli Antoine E. D. M. van der Heijden Herman J. M. Kramer Huseyin Burak Eral |
| author_facet | Fatma Ibis Priya Dhand Sanan Suleymanli Antoine E. D. M. van der Heijden Herman J. M. Kramer Huseyin Burak Eral |
| author_sort | Fatma Ibis |
| collection | DOAJ |
| description | Accurate Calcium Oxalate Monohydrate (COM) solubility measurements are essential for elucidating the physiochemical mechanism behind the formation of kidney stones, nephrolithiasis. Yet the reported solubility values of COM in ultrapure water, arguably the simplest solvent relevant for nephrolithiasis, vary significantly depending on implemented method. To address this variation, we present an experimental study of the solubility of COM validated by a model based on the Debye–Hückel theory describing the solution chemistry and the complex formation. We also carefully monitor potential pseudopolymorphic/hydrate transitions during the solubility measurements with in-situ and ex-situ methods. Our results indicate that the solubility of COM in ultrapure water is a weak function of temperature. However, the measured solubility varies significantly in buffer solutions across physiologically relevant pH values at body temperature. The proposed model explains observed trends as a combined effect of ionic strength, protonation reactions, and soluble complex formation. Moreover, it predicts solubility of COM in buffer solutions remarkably well using our measurements in ultrapure water as input, demonstrating the consistency of presented approach. The presented study parleying experiments and modelling provides a solid stepping stone to extend the physiochemical understanding of nephrolithiasis to more realistic solutions laden with biological complexity. |
| first_indexed | 2024-03-10T15:42:02Z |
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| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-10T15:42:02Z |
| publishDate | 2020-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-0e38d79addbc4b3fa73e2a26949575642023-11-20T16:41:27ZengMDPI AGCrystals2073-43522020-10-01101092410.3390/cryst10100924A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and TemperaturesFatma Ibis0Priya Dhand1Sanan Suleymanli2Antoine E. D. M. van der Heijden3Herman J. M. Kramer4Huseyin Burak Eral5Intensified Reaction & Separation Systems, Process & Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft, The NetherlandsIntensified Reaction & Separation Systems, Process & Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft, The NetherlandsIntensified Reaction & Separation Systems, Process & Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft, The NetherlandsIntensified Reaction & Separation Systems, Process & Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft, The NetherlandsIntensified Reaction & Separation Systems, Process & Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft, The NetherlandsIntensified Reaction & Separation Systems, Process & Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft, The NetherlandsAccurate Calcium Oxalate Monohydrate (COM) solubility measurements are essential for elucidating the physiochemical mechanism behind the formation of kidney stones, nephrolithiasis. Yet the reported solubility values of COM in ultrapure water, arguably the simplest solvent relevant for nephrolithiasis, vary significantly depending on implemented method. To address this variation, we present an experimental study of the solubility of COM validated by a model based on the Debye–Hückel theory describing the solution chemistry and the complex formation. We also carefully monitor potential pseudopolymorphic/hydrate transitions during the solubility measurements with in-situ and ex-situ methods. Our results indicate that the solubility of COM in ultrapure water is a weak function of temperature. However, the measured solubility varies significantly in buffer solutions across physiologically relevant pH values at body temperature. The proposed model explains observed trends as a combined effect of ionic strength, protonation reactions, and soluble complex formation. Moreover, it predicts solubility of COM in buffer solutions remarkably well using our measurements in ultrapure water as input, demonstrating the consistency of presented approach. The presented study parleying experiments and modelling provides a solid stepping stone to extend the physiochemical understanding of nephrolithiasis to more realistic solutions laden with biological complexity.https://www.mdpi.com/2073-4352/10/10/924kidney stonenephrolithiasissolubility of calcium oxalate monohydratetemperature and pH effects on solubility of sparsely soluble saltsDebye–Hückelwhewellite |
| spellingShingle | Fatma Ibis Priya Dhand Sanan Suleymanli Antoine E. D. M. van der Heijden Herman J. M. Kramer Huseyin Burak Eral A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and Temperatures Crystals kidney stone nephrolithiasis solubility of calcium oxalate monohydrate temperature and pH effects on solubility of sparsely soluble salts Debye–Hückel whewellite |
| title | A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and Temperatures |
| title_full | A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and Temperatures |
| title_fullStr | A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and Temperatures |
| title_full_unstemmed | A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and Temperatures |
| title_short | A Combined Experimental and Modelling Study on Solubility of Calcium Oxalate Monohydrate at Physiologically Relevant pH and Temperatures |
| title_sort | combined experimental and modelling study on solubility of calcium oxalate monohydrate at physiologically relevant ph and temperatures |
| topic | kidney stone nephrolithiasis solubility of calcium oxalate monohydrate temperature and pH effects on solubility of sparsely soluble salts Debye–Hückel whewellite |
| url | https://www.mdpi.com/2073-4352/10/10/924 |
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