{"doi":"10.1021/acs.joc.4c03080","title":"Structural Effects on the Hydride-Tunneling Kinetic Isotope Effects of NADH/NAD<sup>+</sup> Model Reactions: Relating to the Donor–Acceptor Distances","abstract":"High Resolution Image Download MS PowerPoint Slide Contemporary H-tunneling theories predict that a longer donor–acceptor distance (DAD) corresponds to a larger kinetic isotope effect (KIE). Herein, hydride-tunneling reactions of NADH/NAD + analogues in acetonitrile were used to examine the KIE–DAD relationship. Reaction pairs of similar tunneling-ready conformations were selected, so that additional factors influencing KIEs would be relatively fixed. Positive results were obtained, with some reaction pairs displaying a reversal of the traditional KIE−Δ G° relationship in favor of the KIE–DAD relationship, lending strong support to the latter.","journal":"The Journal of Organic Chemistry","year":2025,"id":519049,"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":6,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9484,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2025-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1387373,"name":"Jessica Sager","orcid":null,"position":1,"is_corresponding":false},{"id":1387374,"name":"Lauren Phan","orcid":null,"position":2,"is_corresponding":false},{"id":1118792,"name":"Yun Lü","orcid":"0000-0002-3511-6041","position":3,"is_corresponding":false},{"id":1283513,"name":"A. T. Austin","orcid":null,"position":0,"is_corresponding":true}],"reference_count":55,"raw_metadata":null,"created_at":"2026-07-19T02:49:14.184995Z","pmid":"39946088","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":[]}