{"doi":"10.1021/jacs.3c07225","title":"Exploring Sulfur Sites in Proteins via Triple-Resonance <sup>1</sup>H-Detected <sup>77</sup>Se NMR","abstract":"High Resolution Image Download MS PowerPoint Slide NMR spectroscopy has been applied to virtually all sites within proteins and biomolecules; however, the observation of sulfur sites remains very challenging. Recent studies have examined 77 Se as a replacement for sulfur and applied 77 Se NMR in both the solution and solid states. As a spin-1/2 nuclide, 77 Se is attractive as a probe of sulfur sites, and it has a very large chemical shift range (due to a large chemical shift anisotropy), which makes it potentially very sensitive to structural and/or binding interactions as well as dynamics. Despite being a spin-1/2 nuclide, there have been rather limited studies of 77 Se, and the ability to use 1 H-indirect detection has been sparse. Some examples exist, but in the absence of a directly bonded, nonexchangeable 1 H, these have been largely limited to smaller molecules. We develop and illustrate approaches using double-labeling of 13 C and 77 Se in proteins that enable more sensitive triple-resonance schemes via multistep coherence transfers and 1 H-detection. These methods require specialized hardware and decoupling schemes, which we developed and will be discussed.","journal":"Journal of the American Chemical Society","year":2023,"id":356437,"datarank":0.24141568686511508,"base_score":1.6094379124341003,"endowment":1.6094379124341003,"self_citation_contribution":0.24141568686511508,"citation_network_contribution":0.0,"self_endowment_contribution":0.24141568686511508,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":4,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9547,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":356211,"name":"Jess Li","orcid":"0000-0001-7708-8555","position":1,"is_corresponding":false},{"id":746876,"name":"Deepak Sail","orcid":"0009-0001-2053-7759","position":2,"is_corresponding":false},{"id":663568,"name":"Rolf E. Swenson","orcid":"0000-0001-7804-7202","position":3,"is_corresponding":false},{"id":462971,"name":"Clemens Anklin","orcid":"0000-0002-3421-8951","position":4,"is_corresponding":false},{"id":353314,"name":"Sharon Rozovsky","orcid":"0000-0003-4902-0777","position":5,"is_corresponding":false},{"id":356218,"name":"R. Andrew Byrd","orcid":"0000-0003-3625-4232","position":6,"is_corresponding":false},{"id":1105558,"name":"J. Kościelniak","orcid":null,"position":0,"is_corresponding":true}],"reference_count":30,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-07-19T01:13:25.429924Z","pmid":"37906952","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":[]}