Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine
1H and 13C NMR measurements were carried out to explore anticipated correlations between chemical shifts versus thiolate basicities and redox potentials of cysteamine, homocysteine, penicillamine, and their homodisulfides. All correlations were analyzed and statistically evaluated. The closest corre...
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| Format: | Article |
| Language: | English |
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Wiley
2022-01-01
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| Series: | Journal of Spectroscopy |
| Online Access: | http://dx.doi.org/10.1155/2022/9491360 |
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| author | Juliana Ferreira de Santana Arash Mirzahosseini Béla Noszál |
| author_facet | Juliana Ferreira de Santana Arash Mirzahosseini Béla Noszál |
| author_sort | Juliana Ferreira de Santana |
| collection | DOAJ |
| description | 1H and 13C NMR measurements were carried out to explore anticipated correlations between chemical shifts versus thiolate basicities and redox potentials of cysteamine, homocysteine, penicillamine, and their homodisulfides. All correlations were analyzed and statistically evaluated. The closest correlation was observed for the αCH nuclei concerning 1H and 13C NMR data. Since neither site-specific basicities nor site-specific redox potentials can be directly measured by any means in peptides and proteins containing several thiol and/or disulfide units, these data provide a simple method and predictive power to estimate the aforementioned site-specific physicochemical parameters for analogous sulfur-containing moieties in related biopolymers. |
| format | Article |
| id | doaj-art-32f0308b2dc34381b0edfa1a20d4d02a |
| institution | Kabale University |
| issn | 2314-4939 |
| language | English |
| publishDate | 2022-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Spectroscopy |
| spelling | doaj-art-32f0308b2dc34381b0edfa1a20d4d02a2025-08-20T03:55:17ZengWileyJournal of Spectroscopy2314-49392022-01-01202210.1155/2022/9491360Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and PenicillamineJuliana Ferreira de Santana0Arash Mirzahosseini1Béla Noszál2Department of Pharmaceutical ChemistryDepartment of Pharmaceutical ChemistryDepartment of Pharmaceutical Chemistry1H and 13C NMR measurements were carried out to explore anticipated correlations between chemical shifts versus thiolate basicities and redox potentials of cysteamine, homocysteine, penicillamine, and their homodisulfides. All correlations were analyzed and statistically evaluated. The closest correlation was observed for the αCH nuclei concerning 1H and 13C NMR data. Since neither site-specific basicities nor site-specific redox potentials can be directly measured by any means in peptides and proteins containing several thiol and/or disulfide units, these data provide a simple method and predictive power to estimate the aforementioned site-specific physicochemical parameters for analogous sulfur-containing moieties in related biopolymers.http://dx.doi.org/10.1155/2022/9491360 |
| spellingShingle | Juliana Ferreira de Santana Arash Mirzahosseini Béla Noszál Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine Journal of Spectroscopy |
| title | Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine |
| title_full | Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine |
| title_fullStr | Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine |
| title_full_unstemmed | Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine |
| title_short | Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine |
| title_sort | correlation between the nmr chemical shifts and thiolate protonation constants of cysteamine homocysteine and penicillamine |
| url | http://dx.doi.org/10.1155/2022/9491360 |
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