Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish
Chemical exchange saturation transfer (CEST) at about 2.8 ppm downfield from water is characterized besides other compounds by exchanging amine protons of relatively high concentration amino acids and is determined by several physiologic al (pH, T) a nd experimental ( B 0 , B 1 , t sat ) parameters....
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crwiley:10.1002/nbm.4622 2024-06-02T08:13:29+00:00 Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish Wermter, Felizitas C. Bock, Christian Dreher, Wolfgang Deutsche Forschungsgemeinschaft 2021 http://dx.doi.org/10.1002/nbm.4622 https://onlinelibrary.wiley.com/doi/pdf/10.1002/nbm.4622 https://onlinelibrary.wiley.com/doi/full-xml/10.1002/nbm.4622 en eng Wiley http://creativecommons.org/licenses/by/4.0/ NMR in Biomedicine volume 35, issue 2 ISSN 0952-3480 1099-1492 journal-article 2021 crwiley https://doi.org/10.1002/nbm.4622 2024-05-03T11:08:50Z Chemical exchange saturation transfer (CEST) at about 2.8 ppm downfield from water is characterized besides other compounds by exchanging amine protons of relatively high concentration amino acids and is determined by several physiologic al (pH, T) a nd experimental ( B 0 , B 1 , t sat ) parameters. Although the weighting of the CEST effect observed in vivo can be attributed mainly to one compound depending on the organism and organ, there are still several other amino acids, proteins and molecules that also contribute. These contributions in turn exhibit dependences and thus can lead to possible misinterpretation of the measured changes in the CEST effect. With this in mind, this work aimed to determine the exchange rates of six important amino acids as a function of pH and temperature, and thus to create multi‐pool models that allow the accurate analysis of the CEST effect concerning different physiological and experimental parameters for a wide variety of organisms. The results show that small changes in the above parameters have a significant impact on the CEST effect at about 2.8 ppm for the chosen organisms, i.e. the human brain (37 °C) and the brain of polar cod (1.5 °C), furthermore, the specificity of the CEST effect observed in vivo can be significantly affected. Based on the exchange rates k sw (pH, T) determined for six metabolites in this study, it is possible to optimize the intensity and the specificity for the CEST effect of amino acids at about 2.8 ppm for different organisms with their specific physiological characteristics. By adjusting experimental parameters accordingly, this optimization will help to avoid possible misinterpretations of CEST measurements. Furthermore, the multi‐pool models can be utilized to further optimize the saturation. Article in Journal/Newspaper polar cod Wiley Online Library NMR in Biomedicine 35 2 |
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Open Polar |
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Wiley Online Library |
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crwiley |
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English |
description |
Chemical exchange saturation transfer (CEST) at about 2.8 ppm downfield from water is characterized besides other compounds by exchanging amine protons of relatively high concentration amino acids and is determined by several physiologic al (pH, T) a nd experimental ( B 0 , B 1 , t sat ) parameters. Although the weighting of the CEST effect observed in vivo can be attributed mainly to one compound depending on the organism and organ, there are still several other amino acids, proteins and molecules that also contribute. These contributions in turn exhibit dependences and thus can lead to possible misinterpretation of the measured changes in the CEST effect. With this in mind, this work aimed to determine the exchange rates of six important amino acids as a function of pH and temperature, and thus to create multi‐pool models that allow the accurate analysis of the CEST effect concerning different physiological and experimental parameters for a wide variety of organisms. The results show that small changes in the above parameters have a significant impact on the CEST effect at about 2.8 ppm for the chosen organisms, i.e. the human brain (37 °C) and the brain of polar cod (1.5 °C), furthermore, the specificity of the CEST effect observed in vivo can be significantly affected. Based on the exchange rates k sw (pH, T) determined for six metabolites in this study, it is possible to optimize the intensity and the specificity for the CEST effect of amino acids at about 2.8 ppm for different organisms with their specific physiological characteristics. By adjusting experimental parameters accordingly, this optimization will help to avoid possible misinterpretations of CEST measurements. Furthermore, the multi‐pool models can be utilized to further optimize the saturation. |
author2 |
Deutsche Forschungsgemeinschaft |
format |
Article in Journal/Newspaper |
author |
Wermter, Felizitas C. Bock, Christian Dreher, Wolfgang |
spellingShingle |
Wermter, Felizitas C. Bock, Christian Dreher, Wolfgang Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish |
author_facet |
Wermter, Felizitas C. Bock, Christian Dreher, Wolfgang |
author_sort |
Wermter, Felizitas C. |
title |
Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish |
title_short |
Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish |
title_full |
Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish |
title_fullStr |
Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish |
title_full_unstemmed |
Characterization of amine proton exchange for analyzing the specificity and intensity of the CEST effect: from humans to fish |
title_sort |
characterization of amine proton exchange for analyzing the specificity and intensity of the cest effect: from humans to fish |
publisher |
Wiley |
publishDate |
2021 |
url |
http://dx.doi.org/10.1002/nbm.4622 https://onlinelibrary.wiley.com/doi/pdf/10.1002/nbm.4622 https://onlinelibrary.wiley.com/doi/full-xml/10.1002/nbm.4622 |
genre |
polar cod |
genre_facet |
polar cod |
op_source |
NMR in Biomedicine volume 35, issue 2 ISSN 0952-3480 1099-1492 |
op_rights |
http://creativecommons.org/licenses/by/4.0/ |
op_doi |
https://doi.org/10.1002/nbm.4622 |
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NMR in Biomedicine |
container_volume |
35 |
container_issue |
2 |
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1800737016404508672 |