Hydration Shells of DNA from the Point of View of Terahertz Time-Domain Spectroscopy
Hydration plays a fundamental role in DNA structure and functioning. However, the hydration shell has been studied only up to the scale of 10–20 water molecules per nucleotide. In the current work, hydration shells of DNA were studied in a solution by terahertz time-domain spectroscopy. The THz spec...
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MDPI AG
2021-10-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/22/20/11089 |
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| author | Nadezda A. Penkova Mars G. Sharapov Nikita V. Penkov |
| author_facet | Nadezda A. Penkova Mars G. Sharapov Nikita V. Penkov |
| author_sort | Nadezda A. Penkova |
| collection | DOAJ |
| description | Hydration plays a fundamental role in DNA structure and functioning. However, the hydration shell has been studied only up to the scale of 10–20 water molecules per nucleotide. In the current work, hydration shells of DNA were studied in a solution by terahertz time-domain spectroscopy. The THz spectra of three DNA solutions (in water, 40 mm MgCl<sub>2</sub> and 150 mM KCl) were transformed using an effective medium model to obtain dielectric permittivities of the water phase of solutions. Then, the parameters of two relaxation bands related to bound and free water molecules, as well as to intermolecular oscillations, were calculated. The hydration shells of DNA differ from undisturbed water by the presence of strongly bound water molecules, a higher number of free molecules and an increased number of hydrogen bonds. The presence of 40 mM MgCl<sub>2</sub> in the solution almost does not alter the hydration shell parameters. At the same time, 150 mM KCl significantly attenuates all the found effects of hydration. Different effects of salts on hydration cannot be explained by the difference in ionic strength of solutions, they should be attributed to the specific action of Mg<sup>2+</sup> and K<sup>+</sup> ions. The obtained results significantly expand the existing knowledge about DNA hydration and demonstrate a high potential for using the THz time-domain spectroscopy method. |
| first_indexed | 2024-03-10T06:30:58Z |
| format | Article |
| id | doaj.art-a33c2656c04c4ed2896a74a0f420b872 |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-10T06:30:58Z |
| publishDate | 2021-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-a33c2656c04c4ed2896a74a0f420b8722023-11-22T18:33:40ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672021-10-0122201108910.3390/ijms222011089Hydration Shells of DNA from the Point of View of Terahertz Time-Domain SpectroscopyNadezda A. Penkova0Mars G. Sharapov1Nikita V. Penkov2Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, 142290 Pushchino, RussiaInstitute of Cell Biophysics RAS, Federal Research Center “Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences”, 142290 Pushchino, RussiaInstitute of Cell Biophysics RAS, Federal Research Center “Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences”, 142290 Pushchino, RussiaHydration plays a fundamental role in DNA structure and functioning. However, the hydration shell has been studied only up to the scale of 10–20 water molecules per nucleotide. In the current work, hydration shells of DNA were studied in a solution by terahertz time-domain spectroscopy. The THz spectra of three DNA solutions (in water, 40 mm MgCl<sub>2</sub> and 150 mM KCl) were transformed using an effective medium model to obtain dielectric permittivities of the water phase of solutions. Then, the parameters of two relaxation bands related to bound and free water molecules, as well as to intermolecular oscillations, were calculated. The hydration shells of DNA differ from undisturbed water by the presence of strongly bound water molecules, a higher number of free molecules and an increased number of hydrogen bonds. The presence of 40 mM MgCl<sub>2</sub> in the solution almost does not alter the hydration shell parameters. At the same time, 150 mM KCl significantly attenuates all the found effects of hydration. Different effects of salts on hydration cannot be explained by the difference in ionic strength of solutions, they should be attributed to the specific action of Mg<sup>2+</sup> and K<sup>+</sup> ions. The obtained results significantly expand the existing knowledge about DNA hydration and demonstrate a high potential for using the THz time-domain spectroscopy method.https://www.mdpi.com/1422-0067/22/20/11089THz-TDShydration shellsDNA hydrationwater structuredielectric properties |
| spellingShingle | Nadezda A. Penkova Mars G. Sharapov Nikita V. Penkov Hydration Shells of DNA from the Point of View of Terahertz Time-Domain Spectroscopy International Journal of Molecular Sciences THz-TDS hydration shells DNA hydration water structure dielectric properties |
| title | Hydration Shells of DNA from the Point of View of Terahertz Time-Domain Spectroscopy |
| title_full | Hydration Shells of DNA from the Point of View of Terahertz Time-Domain Spectroscopy |
| title_fullStr | Hydration Shells of DNA from the Point of View of Terahertz Time-Domain Spectroscopy |
| title_full_unstemmed | Hydration Shells of DNA from the Point of View of Terahertz Time-Domain Spectroscopy |
| title_short | Hydration Shells of DNA from the Point of View of Terahertz Time-Domain Spectroscopy |
| title_sort | hydration shells of dna from the point of view of terahertz time domain spectroscopy |
| topic | THz-TDS hydration shells DNA hydration water structure dielectric properties |
| url | https://www.mdpi.com/1422-0067/22/20/11089 |
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