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Over 20% (15)N Hyperpolarization in Under One Minute for Metronidazole, an Antibiotic and Hypoxia Probe
[Image: see text] Direct NMR hyperpolarization of naturally abundant (15)N sites in metronidazole is demonstrated using SABRE-SHEATH (Signal Amplification by Reversible Exchange in SHield Enables Alignment Transfer to Heteronuclei). In only a few tens of seconds, nuclear spin polarization P((15)N) o...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2016
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4937835/ https://www.ncbi.nlm.nih.gov/pubmed/27321159 http://dx.doi.org/10.1021/jacs.6b04784 |
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author | Barskiy, Danila A. Shchepin, Roman V. Coffey, Aaron M. Theis, Thomas Warren, Warren S. Goodson, Boyd M. Chekmenev, Eduard Y. |
author_facet | Barskiy, Danila A. Shchepin, Roman V. Coffey, Aaron M. Theis, Thomas Warren, Warren S. Goodson, Boyd M. Chekmenev, Eduard Y. |
author_sort | Barskiy, Danila A. |
collection | PubMed |
description | [Image: see text] Direct NMR hyperpolarization of naturally abundant (15)N sites in metronidazole is demonstrated using SABRE-SHEATH (Signal Amplification by Reversible Exchange in SHield Enables Alignment Transfer to Heteronuclei). In only a few tens of seconds, nuclear spin polarization P((15)N) of up to ∼24% is achieved using parahydrogen with 80% para fraction corresponding to P((15)N) ≈ 32% if ∼100% parahydrogen were employed (which would translate to a signal enhancement of ∼0.1-million-fold at 9.4 T). In addition to this demonstration on the directly binding (15)N site (using J(2)(H-(15)N)), we also hyperpolarized more distant (15)N sites in metronidazole using longer-range spin–spin couplings (J(4)(H-(15)N) and J(5)(H-(15)N)). Taken together, these results significantly expand the range of molecular structures and sites amenable to hyperpolarization via low-cost parahydrogen-based methods. In particular, hyperpolarized nitroimidazole and its derivatives have powerful potential applications such as direct in vivo imaging of mechanisms of action or hypoxia sensing. |
format | Online Article Text |
id | pubmed-4937835 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-49378352017-06-20 Over 20% (15)N Hyperpolarization in Under One Minute for Metronidazole, an Antibiotic and Hypoxia Probe Barskiy, Danila A. Shchepin, Roman V. Coffey, Aaron M. Theis, Thomas Warren, Warren S. Goodson, Boyd M. Chekmenev, Eduard Y. J Am Chem Soc [Image: see text] Direct NMR hyperpolarization of naturally abundant (15)N sites in metronidazole is demonstrated using SABRE-SHEATH (Signal Amplification by Reversible Exchange in SHield Enables Alignment Transfer to Heteronuclei). In only a few tens of seconds, nuclear spin polarization P((15)N) of up to ∼24% is achieved using parahydrogen with 80% para fraction corresponding to P((15)N) ≈ 32% if ∼100% parahydrogen were employed (which would translate to a signal enhancement of ∼0.1-million-fold at 9.4 T). In addition to this demonstration on the directly binding (15)N site (using J(2)(H-(15)N)), we also hyperpolarized more distant (15)N sites in metronidazole using longer-range spin–spin couplings (J(4)(H-(15)N) and J(5)(H-(15)N)). Taken together, these results significantly expand the range of molecular structures and sites amenable to hyperpolarization via low-cost parahydrogen-based methods. In particular, hyperpolarized nitroimidazole and its derivatives have powerful potential applications such as direct in vivo imaging of mechanisms of action or hypoxia sensing. American Chemical Society 2016-06-20 2016-07-06 /pmc/articles/PMC4937835/ /pubmed/27321159 http://dx.doi.org/10.1021/jacs.6b04784 Text en Copyright © 2016 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes. |
spellingShingle | Barskiy, Danila A. Shchepin, Roman V. Coffey, Aaron M. Theis, Thomas Warren, Warren S. Goodson, Boyd M. Chekmenev, Eduard Y. Over 20% (15)N Hyperpolarization in Under One Minute for Metronidazole, an Antibiotic and Hypoxia Probe |
title | Over
20% (15)N Hyperpolarization in Under
One Minute for Metronidazole, an Antibiotic and Hypoxia Probe |
title_full | Over
20% (15)N Hyperpolarization in Under
One Minute for Metronidazole, an Antibiotic and Hypoxia Probe |
title_fullStr | Over
20% (15)N Hyperpolarization in Under
One Minute for Metronidazole, an Antibiotic and Hypoxia Probe |
title_full_unstemmed | Over
20% (15)N Hyperpolarization in Under
One Minute for Metronidazole, an Antibiotic and Hypoxia Probe |
title_short | Over
20% (15)N Hyperpolarization in Under
One Minute for Metronidazole, an Antibiotic and Hypoxia Probe |
title_sort | over
20% (15)n hyperpolarization in under
one minute for metronidazole, an antibiotic and hypoxia probe |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4937835/ https://www.ncbi.nlm.nih.gov/pubmed/27321159 http://dx.doi.org/10.1021/jacs.6b04784 |
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