{"doi":"10.1016/j.jmr.2009.10.007","title":"1H–13C hetero-nuclear dipole–dipole couplings of methyl groups in stationary and magic angle spinning solid-state NMR experiments of peptides and proteins","abstract":null,"journal":"Journal of Magnetic Resonance","year":2010,"id":657649,"datarank":0.9252341293989451,"base_score":3.044522437723423,"endowment":3.044522437723423,"self_citation_contribution":0.4566783656585135,"citation_network_contribution":0.4685557637404316,"self_endowment_contribution":0.4566783656585135,"citer_contribution":0.4685557637404316,"corpus_percentile":null,"corpus_rank":null,"citation_count":20,"citer_count":14,"citers_with_citation_signal":13,"citers_with_endowment":13,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":734832,"name":"Bibhuti B. Das","orcid":"0000-0001-9530-8785","position":1,"is_corresponding":false},{"id":406124,"name":"Stanley J. Opella","orcid":"0000-0003-0443-1396","position":2,"is_corresponding":false},{"id":1716766,"name":"Chin H. Wu","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"1H–13C hetero-nuclear dipole–dipole couplings of methyl groups in stationary and magic angle spinning solid-state NMR experiments of peptides and proteins","abstract":"(13)C NMR of isotopically labeled methyl groups has the potential to combine spectroscopic simplicity with ease of labeling for protein NMR studies. However, in most high resolution separated local field experiments, such as polarization inversion spin exchange at the magic angle (PISEMA), that are used to measure (1)H-(13)C hetero-nuclear dipolar couplings, the four-spin system of the methyl group presents complications. In this study, the properties of the (1)H-(13)C hetero-nuclear dipolar interactions of (13)C-labeled methyl groups are revealed through solid-state NMR experiments on a range of samples, including single crystals, stationary powders, and magic angle spinning of powders, of (13)C(3) labeled alanine alone and incorporated into a protein. The spectral simplifications resulting from proton detected local field (PDLF) experiments are shown to enhance resolution and simplify the interpretation of results on single crystals, magnetically aligned samples, and powders. The complementarity of stationary sample and magic angle spinning (MAS) measurements of dipolar couplings is demonstrated by applying polarization inversion spin exchange at the magic angle and magic angle spinning (PISEMAMAS) to unoriented samples.","is_dataset_classified":null,"base_score":3.044522437723423,"endowment":3.044522437723423,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"19896874","pmcid":"PMC2888030","openalex_id":"https://openalex.org/W1967900138","authors":[],"funders":[{"funder_name":"NIBIB NIH HHS","grant_id":"R01 EB005161","title":null},{"funder_name":"NIGMS NIH HHS","grant_id":"R01 GM066978","title":null},{"funder_name":"NIBIB NIH HHS","grant_id":"P41EB002031","title":null},{"funder_name":"NIGMS NIH HHS","grant_id":"R01 GM075877","title":null}],"total_grants":4,"fwci":1.2028,"citation_percentile":0.74728151,"influential_citations":0,"citation_trend":[{"year":2012,"count":2},{"year":2013,"count":3},{"year":2014,"count":1},{"year":2015,"count":1},{"year":2016,"count":1},{"year":2017,"count":2},{"year":2020,"count":1},{"year":2021,"count":2},{"year":2022,"count":1}],"oa_status":"green","license":"https://www.elsevier.com/tdm/userlicense/1.0/","oa_locations":[{"url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2888030","host_type":"repository"},{"url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2888030","host_type":"repository"},{"url":"https://api.elsevier.com/content/article/PII:S1090780709003000?httpAccept=text/xml","host_type":"publisher"},{"url":"https://api.elsevier.com/content/article/PII:S1090780709003000?httpAccept=text/plain","host_type":"publisher"},{"url":"https://doi.org/10.1016/j.jmr.2009.10.007","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/19896874","host_type":"repository"}],"fields_of_study":["Advanced NMR Techniques and Applications","Solid-state spectroscopy and crystallography","Muon and positron interactions and applications","Alanine","Algorithms","Bacteriophage Pf1","Electromagnetic Fields","Hydrogen-Ion Concentration","Magnetic Resonance Spectroscopy","Methylation","Nuclear Magnetic Resonance, Biomolecular","Peptides","Proteins","Protons","Terminology as Topic","Viral Proteins"],"mesh_terms":["Alanine","Algorithms","Electromagnetic Fields","Hydrogen-Ion Concentration","Methylation","Terminology as Topic","Magnetic Resonance Spectroscopy","Peptides","Proteins","Protons","Viral Proteins","Nuclear Magnetic Resonance, Biomolecular","Bacteriophage Pf1"],"keywords":["Magic angle spinning","Solid-state nuclear magnetic resonance","Magic angle","Spinning","Chemistry","Dipole","Magnetic dipole–dipole interaction","Analytical Chemistry (journal)","Polarization (electrochemistry)","Nuclear magnetic resonance","Nuclear magnetic resonance spectroscopy","Crystallography","Molecular physics","Physics","Physical chemistry","Stereochemistry","Organic chemistry"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-12T01:52:56.726339Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}