{"doi":"10.1073/pnas.2109241118","title":"Partial synthetic models of FeMoco with sulfide and carbyne ligands: Effect of interstitial atom in nitrogenase active site","abstract":"Significance Nitrogen, a common component of biomolecules, is sourced from abundant dinitrogen in the atmosphere through conversion to ammonia. Organisms capable of fixing N 2 employ nitrogenases, metalloproteins that display metal-sulfide clusters that facilitate electron transfers and substrate activation. The site of N 2 conversion to NH 3 is FeMco (M = Mo, Fe, or V), a cluster of notable complexity in bioinorganic chemistry, which displays an unusual interstitial carbon ligand. The function of this bridging ligand remains unclear, and systematic structure-function studies with bridging C-donors are challenged by a lack of synthetic methods for analogous clusters. Herein, we report the first synthetic cluster that models a cubane moiety of FeMco bearing a chelating carbyne ligand and related structure-property studies.","journal":"Proceedings of the National Academy of Sciences","year":2021,"id":165976,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":35,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.957,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2021-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":690590,"name":"Gwendolyn A. Bailey","orcid":"0000-0002-6636-4128","position":1,"is_corresponding":false},{"id":690591,"name":"Anna G. Scott","orcid":"0009-0000-5803-691X","position":2,"is_corresponding":false},{"id":690592,"name":"Theodor Agapie","orcid":"0000-0002-9692-7614","position":3,"is_corresponding":false},{"id":690589,"name":"Linh Le","orcid":"0000-0003-1451-2675","position":0,"is_corresponding":true}],"reference_count":55,"raw_metadata":null,"created_at":"2026-07-18T23:45:45.220559Z","pmid":"34857636","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":[]}