Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments
Chloride ions play important roles in many chemical and biological processes. This paper investigates the possibility of localizing ³⁵Cl nuclei using solid-state NMR. It demonstrates that distances shorter than 3.8 Å, between ¹³C atoms and ³⁵Cl atoms in 10% uniformly labeled ¹³C L-tyrosine·HCl and n...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Elsevier BV
2020
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| Online Access: | https://hdl.handle.net/1721.1/125835 |
| _version_ | 1826198502720405504 |
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| author | Iuga, D. Rossi, P. Herzfeld, J. Griffin, Robert Guy |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Iuga, D. Rossi, P. Herzfeld, J. Griffin, Robert Guy |
| author_sort | Iuga, D. |
| collection | MIT |
| description | Chloride ions play important roles in many chemical and biological processes. This paper investigates the possibility of localizing ³⁵Cl nuclei using solid-state NMR. It demonstrates that distances shorter than 3.8 Å, between ¹³C atoms and ³⁵Cl atoms in 10% uniformly labeled ¹³C L-tyrosine·HCl and natural abundance Glycine·HCl can be measured using rotational-echo (adiabatic passage) double-resonance (RE(AP)DOR). Furthermore the effect of quadrupolar interaction on the REDOR/REAPDOR experiment is quantified. The dephasing curve is plotted in a three dimensional chart as a function of the dephasing time and of the strength of quadrupolar interaction felt by each orientation. During spinning each orientation feels a quadrupolar interaction that varies in time, and therefore at each moment in time we reorder the crystallite orientations as a function of their contribution to the dephasing curve. In this way the effect of quadrupolar interaction on the dipolar dephasing curve can be fitted with a polynomial function. The numerical investigation performed allows us to generate REDOR/REAPDOR curves which are then used to simulate the experimental data. |
| first_indexed | 2024-09-23T11:05:59Z |
| format | Article |
| id | mit-1721.1/125835 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T11:05:59Z |
| publishDate | 2020 |
| publisher | Elsevier BV |
| record_format | dspace |
| spelling | mit-1721.1/1258352022-09-27T17:08:11Z Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments Iuga, D. Rossi, P. Herzfeld, J. Griffin, Robert Guy Massachusetts Institute of Technology. Department of Chemistry Francis Bitter Magnet Laboratory (Massachusetts Institute of Technology) Chloride ions play important roles in many chemical and biological processes. This paper investigates the possibility of localizing ³⁵Cl nuclei using solid-state NMR. It demonstrates that distances shorter than 3.8 Å, between ¹³C atoms and ³⁵Cl atoms in 10% uniformly labeled ¹³C L-tyrosine·HCl and natural abundance Glycine·HCl can be measured using rotational-echo (adiabatic passage) double-resonance (RE(AP)DOR). Furthermore the effect of quadrupolar interaction on the REDOR/REAPDOR experiment is quantified. The dephasing curve is plotted in a three dimensional chart as a function of the dephasing time and of the strength of quadrupolar interaction felt by each orientation. During spinning each orientation feels a quadrupolar interaction that varies in time, and therefore at each moment in time we reorder the crystallite orientations as a function of their contribution to the dephasing curve. In this way the effect of quadrupolar interaction on the dipolar dephasing curve can be fitted with a polynomial function. The numerical investigation performed allows us to generate REDOR/REAPDOR curves which are then used to simulate the experimental data. 2020-06-17T14:46:15Z 2020-06-17T14:46:15Z 2017-04 2016-12 2019-12-18T13:16:48Z Article http://purl.org/eprint/type/JournalArticle 0926-2040 https://hdl.handle.net/1721.1/125835 Iuga, D. et al. "Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments." Solid State Nuclear Magnetic Resonance 82-83 (April 2017): 35-41 © 2017 Elsevier Inc en http://dx.doi.org/10.1016/j.ssnmr.2017.01.003 Solid State Nuclear Magnetic Resonance Creative Commons Attribution-NonCommercial-NoDerivs License http://creativecommons.org/licenses/by-nc-nd/4.0/ application/pdf Elsevier BV PMC |
| spellingShingle | Iuga, D. Rossi, P. Herzfeld, J. Griffin, Robert Guy Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments |
| title | Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments |
| title_full | Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments |
| title_fullStr | Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments |
| title_full_unstemmed | Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments |
| title_short | Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments |
| title_sort | localization of cl 35 nuclei in biological solids using rotational echo double resonance experiments |
| url | https://hdl.handle.net/1721.1/125835 |
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