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Terahertz Spectral Properties of 5-Substituted Uracils
Applications of terahertz time-domain spectroscopy (THz-TDS) in the fields of chemistry and biomedicine have recently received increased attention. Specifically, THz-TDS is particularly effective for the identification of alkaloid molecules, because it can distinguish the vibration types of base mol...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8706476/ https://www.ncbi.nlm.nih.gov/pubmed/34960387 http://dx.doi.org/10.3390/s21248292 |
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author | Li, Kaixuan Li, Ding Zhang, Yan |
author_facet | Li, Kaixuan Li, Ding Zhang, Yan |
author_sort | Li, Kaixuan |
collection | PubMed |
description | Applications of terahertz time-domain spectroscopy (THz-TDS) in the fields of chemistry and biomedicine have recently received increased attention. Specifically, THz-TDS is particularly effective for the identification of alkaloid molecules, because it can distinguish the vibration types of base molecules in the THz band and provide a direct characteristic spectrum for the configuration and conformation of biomolecules. However, when THz-TDS technology is used to identify alkaloid molecules, most of them are concentrated in the 0.1–3.0 THz band, limiting the amount of information that can be obtained. In this work, a wide-spectrum THz-TDS system was independently built to explore the absorption spectra of uracil and its 5-substituents in the range of 1.3–6.0 THz. We found that, in the THz band, uracil and its 5-substituents have similar absorption peaks near 4.9 and 3.3 THz, while the 5-substituents have an additional absorption peak in the range of 1.5–2.5 THz. This absorption peak is red-shifted as the relative atomic mass of the 5-substituted atoms increases. Gaussian software was adopted to calculate the absorption spectra of the samples. The simulation conclusions were in good agreement with the experimental results, revealing that the vibration of the base molecule at low frequencies can be attributed to the inter-molecular vibration. This work demonstrates that THz-TDS technology can be used to accurately identify biomolecules with similar molecular structures, reflecting the importance of molecular structure in biological activity. |
format | Online Article Text |
id | pubmed-8706476 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-87064762021-12-25 Terahertz Spectral Properties of 5-Substituted Uracils Li, Kaixuan Li, Ding Zhang, Yan Sensors (Basel) Communication Applications of terahertz time-domain spectroscopy (THz-TDS) in the fields of chemistry and biomedicine have recently received increased attention. Specifically, THz-TDS is particularly effective for the identification of alkaloid molecules, because it can distinguish the vibration types of base molecules in the THz band and provide a direct characteristic spectrum for the configuration and conformation of biomolecules. However, when THz-TDS technology is used to identify alkaloid molecules, most of them are concentrated in the 0.1–3.0 THz band, limiting the amount of information that can be obtained. In this work, a wide-spectrum THz-TDS system was independently built to explore the absorption spectra of uracil and its 5-substituents in the range of 1.3–6.0 THz. We found that, in the THz band, uracil and its 5-substituents have similar absorption peaks near 4.9 and 3.3 THz, while the 5-substituents have an additional absorption peak in the range of 1.5–2.5 THz. This absorption peak is red-shifted as the relative atomic mass of the 5-substituted atoms increases. Gaussian software was adopted to calculate the absorption spectra of the samples. The simulation conclusions were in good agreement with the experimental results, revealing that the vibration of the base molecule at low frequencies can be attributed to the inter-molecular vibration. This work demonstrates that THz-TDS technology can be used to accurately identify biomolecules with similar molecular structures, reflecting the importance of molecular structure in biological activity. MDPI 2021-12-11 /pmc/articles/PMC8706476/ /pubmed/34960387 http://dx.doi.org/10.3390/s21248292 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Communication Li, Kaixuan Li, Ding Zhang, Yan Terahertz Spectral Properties of 5-Substituted Uracils |
title | Terahertz Spectral Properties of 5-Substituted Uracils |
title_full | Terahertz Spectral Properties of 5-Substituted Uracils |
title_fullStr | Terahertz Spectral Properties of 5-Substituted Uracils |
title_full_unstemmed | Terahertz Spectral Properties of 5-Substituted Uracils |
title_short | Terahertz Spectral Properties of 5-Substituted Uracils |
title_sort | terahertz spectral properties of 5-substituted uracils |
topic | Communication |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8706476/ https://www.ncbi.nlm.nih.gov/pubmed/34960387 http://dx.doi.org/10.3390/s21248292 |
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