Analysis of the MODIST Sequence for Selective Proton–Proton Recoupling
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| Titel: | Analysis of the MODIST Sequence for Selective Proton–Proton Recoupling |
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| Autoren: | Evgeny Nimerovsky, Marianna Stampolaki, Abel Cherian Varkey, Stefan Becker, Loren B. Andreas |
| Weitere Verfasser: | Nimerovsky, Evgeny, Stampolaki, Marianna, Varkey, Abel Cherian, Becker, Stefan, Andreas, Loren B. |
| Quelle: | J Phys Chem A |
| Verlagsinformationen: | American Chemical Society (ACS), 2024. |
| Publikationsjahr: | 2024 |
| Beschreibung: | Theoretical and simulated analyses of selective homonuclear dipolar recoupling sequences serve as primary tools for understanding and determining the robustness of these sequences under various conditions. In this article, we investigate the recently proposed first-order dipolar recoupling sequence known as MODIST (Modest Offset Difference Internuclear Selective Transfer). We evaluate the MODIST transfer efficiency, assessing its dependence on rf-field strengths and the number of simulated spins, extending up to 10 spins. This helps to identify conditions that enhance polarization transfer among spins that are nearby in frequency, particularly among aliphatic protons. The exploration uncovers a novel effect for first-order selective recoupling sequences that we term "facilitated dipolar recoupling". This effect amplifies the recoupled dipolar interaction between distant spins due to the presence of additional strongly dipolar-coupled spins. Unlike the third spin-assisted recoupling mechanism, facilitated dipolar recoupling only requires a coupling to one of the two distant spins of interest. Experimental demonstration of MODIST, including at different rf-field strengths, was carried out with the membrane protein influenza A M2 in lipid bilayers using 55 kHz magic-angle spinning (MAS). Reducing MODIST rf-field strength by a factor of 2 unveils possibilities for detecting Hα-Hα and HMeth-HMeth correlations with a 3D (H)C(H)(H)CH experiment under fast MAS rates, all achievable without specific spin labeling. |
| Publikationsart: | Article Other literature type |
| Sprache: | English |
| ISSN: | 1520-5215 1089-5639 |
| DOI: | 10.1021/acs.jpca.4c05102 |
| Zugangs-URL: | https://pubmed.ncbi.nlm.nih.gov/39710965 https://resolver.sub.uni-goettingen.de/purl?gro-2/147113 |
| Rights: | CC BY URL: http://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (http://creativecommons.org/licenses/by/4.0/). |
| Dokumentencode: | edsair.doi.dedup.....c37ae471f5bc8085f21f97d8013fefa9 |
| Datenbank: | OpenAIRE |
Nájsť tento článok vo Web of Science | Abstract: | Theoretical and simulated analyses of selective homonuclear dipolar recoupling sequences serve as primary tools for understanding and determining the robustness of these sequences under various conditions. In this article, we investigate the recently proposed first-order dipolar recoupling sequence known as MODIST (Modest Offset Difference Internuclear Selective Transfer). We evaluate the MODIST transfer efficiency, assessing its dependence on rf-field strengths and the number of simulated spins, extending up to 10 spins. This helps to identify conditions that enhance polarization transfer among spins that are nearby in frequency, particularly among aliphatic protons. The exploration uncovers a novel effect for first-order selective recoupling sequences that we term "facilitated dipolar recoupling". This effect amplifies the recoupled dipolar interaction between distant spins due to the presence of additional strongly dipolar-coupled spins. Unlike the third spin-assisted recoupling mechanism, facilitated dipolar recoupling only requires a coupling to one of the two distant spins of interest. Experimental demonstration of MODIST, including at different rf-field strengths, was carried out with the membrane protein influenza A M2 in lipid bilayers using 55 kHz magic-angle spinning (MAS). Reducing MODIST rf-field strength by a factor of 2 unveils possibilities for detecting Hα-Hα and HMeth-HMeth correlations with a 3D (H)C(H)(H)CH experiment under fast MAS rates, all achievable without specific spin labeling. |
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| ISSN: | 15205215 10895639 |
| DOI: | 10.1021/acs.jpca.4c05102 |