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    Effects of the hydration state on the mid-infrared spectra of urea and creatinine in relation to urine analyses

    Oliver, K.V. and Marechal, Amandine and Rich, P.R. (2016) Effects of the hydration state on the mid-infrared spectra of urea and creatinine in relation to urine analyses. Applied Spectroscopy 70 (6), pp. 983-994. ISSN 0003-7028.

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    When analysing solutes by FTIR spectroscopy in attenuated total reflection (ATR) mode, drying of samples onto the ATR crystal surface can greatly increase solute band intensities and, therefore, aid detection of minor components. However, analysis of such spectra is complicated by the existence of alternative partial hydration states of some substances that can significantly alter their infrared signatures. This is illustrated here with urea, which is a dominant component of urine. The effects of hydration state on its infrared spectrum were investigated both by incubation in atmospheres of fixed relative humidities and by recording serial spectra during the drying process. Significant changes of absorption band positions and shapes were observed. Decomposition of the CN antisymmetric stretching (νas) band in all states was possible with four components whose relative intensities varied with hydration state. These correspond to the solution (1468 cm-1) and dry (1464 cm-1) states and two intermediate (1454 cm-1 and 1443 cm-1) forms that arise from specific urea-water and/or urea-urea interactions. Such intermediate forms of other compounds can also be formed, as demonstrated here with creatinine. Recognition of these states and their accommodation in analyses of materials such as dried urine allows more precise decomposition of spectra so that weaker bands of diagnostic interest can be more accurately defined.


    Item Type: Article
    Keyword(s) / Subject(s): Attenuated total reflection Fourier transform infrared spectroscopy, ATR FT-IR, Mid-infrared spectroscopy, Mid-IR, Urea, Hydration, Creatinine, Medical diagnostics
    School: Birkbeck Faculties and Schools > Faculty of Science > School of Natural Sciences
    Depositing User: Dr Amandine Marechal
    Date Deposited: 22 Sep 2016 14:57
    Last Modified: 02 Aug 2023 17:18


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