{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Lai D"],"funding":["National Natural Science Foundation of China (National Science Foundation of China)"],"pagination":["1892"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12923903"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["17(1)"],"pubmed_abstract":["The electrochemical C-N coupling of biomass-derived 5-hydroxymethylfurfural (HMF) with methylamine offers a promising sustainable route to value-added amines. However, achieving high selectivity remains challenging due to competing side reactions, including C = O hydrogenation and C-C dimerization. This paper describes tailoring the surface structure of Ag catalysts to modulate HMF adsorption and intermediate hydrogenation behavior and thus enhancing C-N coupling selectivity. Ag nanoparticles, predominantly exposing the (111) facet, exhibit higher selectivity compared with Ag nanocubes mainly enclosed by (100) planes. The Ag(111) facet favors the C-N coupling pathway by regulating both adsorption geometry and hydrogenation ability. In-situ Raman spectroscopy and density functional theory (DFT) calculations reveal that an η<sup>1</sup>(C)-aldehyde adsorption configuration, dominant on Ag(111), enhances carbonyl electrophilicity and facilitates C = O polarization, promoting nucleophilic attack by methylamine. In contrast, the η<sup>2</sup>(C,O)-aldehyde configuration, more common on Ag (100), stabilizes the C = O bond, limiting its reactivity. Moreover, Ag(111) shows enhanced imine hydrogenation activity, further improving amine selectivity. This study highlights the significance of facet-dependent adsorption modulation in steering reaction pathways and advancing sustainable electrochemical synthesis."],"journal":["Nature communications"],"pubmed_title":["Electrochemical C-N coupling via adsorption modulation: selective synthesis of amines from biomass-derived 5-hydroxymethylfurfural."],"pmcid":["PMC12923903"],"funding_grant_id":["22121004"],"pubmed_authors":["Lai D","Zhang J","Wang C","Zhao ZJ","Wang T","Ma ZA","Yu J","Gong J","Ye X","Zhang P"],"additional_accession":[]},"is_claimable":false,"name":"Electrochemical C-N coupling via adsorption modulation: selective synthesis of amines from biomass-derived 5-hydroxymethylfurfural.","description":"The electrochemical C-N coupling of biomass-derived 5-hydroxymethylfurfural (HMF) with methylamine offers a promising sustainable route to value-added amines. However, achieving high selectivity remains challenging due to competing side reactions, including C = O hydrogenation and C-C dimerization. This paper describes tailoring the surface structure of Ag catalysts to modulate HMF adsorption and intermediate hydrogenation behavior and thus enhancing C-N coupling selectivity. Ag nanoparticles, predominantly exposing the (111) facet, exhibit higher selectivity compared with Ag nanocubes mainly enclosed by (100) planes. The Ag(111) facet favors the C-N coupling pathway by regulating both adsorption geometry and hydrogenation ability. In-situ Raman spectroscopy and density functional theory (DFT) calculations reveal that an η<sup>1</sup>(C)-aldehyde adsorption configuration, dominant on Ag(111), enhances carbonyl electrophilicity and facilitates C = O polarization, promoting nucleophilic attack by methylamine. In contrast, the η<sup>2</sup>(C,O)-aldehyde configuration, more common on Ag (100), stabilizes the C = O bond, limiting its reactivity. Moreover, Ag(111) shows enhanced imine hydrogenation activity, further improving amine selectivity. This study highlights the significance of facet-dependent adsorption modulation in steering reaction pathways and advancing sustainable electrochemical synthesis.","dates":{"release":"2026-01-01T00:00:00Z","publication":"2026 Jan","modification":"2026-07-09T12:04:59.765Z","creation":"2026-07-09T11:08:35.665Z"},"accession":"S-EPMC12923903","cross_references":{"pubmed":["41565704"],"doi":["10.1038/s41467-026-68734-4"]}}