2025
Ni/Ti Dual Catalyzed Cross-Electrophile Coupling between Unactivated Alkyl Chlorides and Aryl Halides
Oniani D, Jia X, Mane E, Charboneau D, Chow J, Hazari N, Huang H, Lee M, Mercado B, Uehling M, Wedal J. Ni/Ti Dual Catalyzed Cross-Electrophile Coupling between Unactivated Alkyl Chlorides and Aryl Halides. ACS Catalysis 2025, 11726-11738. DOI: 10.1021/acscatal.5c01995.Peer-Reviewed Original ResearchCross-electrophile couplingUnactivated alkyl chloridesAlkyl chloridesAryl halidesTi catalystAlkyl radicalsTertiary alkyl chloridesSecondary alkyl chloridesStoichiometric experimentsReactive catalystCatalytic cycleNi catalystsCatalystSubstrate classesHalidesArylRare exampleRate of radical productionMechanistic studiesAlkylationChlorideRadicalsInert substrateIntermediateReactionSelective Oxidation of Disparate Functional Groups Mediated by a Common Aspartic Acid-Based Peptide Catalyst Platform
Huth S, Stone E, Miller S. Selective Oxidation of Disparate Functional Groups Mediated by a Common Aspartic Acid-Based Peptide Catalyst Platform. Accounts Of Chemical Research 2025, 58: 2072-2087. PMID: 40530828, DOI: 10.1021/acs.accounts.5c00247.Peer-Reviewed Original ResearchConceptsPeptide catalystsMedicinally relevant moleculesPeptide-based catalystsBaeyer-Villiger oxidationAsp peptidesSynthetic reaction conditionsSynthetically relevant transformationsComplex natural productsNatural productsAsymmetric catalysisCatalyst platformStoichiometric oxidantOxygen atomsSelective oxidationNoncovalent interactionsReaction conditionsBioactive natural productsBioactive analoguesMolecular scaffoldsCatalystFunctional groupsDrug analoguesPeptide sequencesRelevant moleculesDrug moleculesA highly active sulfur based pincer ruthenium catalyst for CO 2 hydrogenation
Mondragón-Díaz A, Kelley S, Hazari N, Bernskoetter W. A highly active sulfur based pincer ruthenium catalyst for CO 2 hydrogenation. Chemical Communications 2025, 61: 6957-6960. PMID: 40230312, DOI: 10.1039/d5cc01194a.Peer-Reviewed Original ResearchEnantioselective Hydrodifluoroalkylation of Alkenes with Conformationally Tuned Peptidyl Hydrogen Atom Transfer Catalysts
Pereira M, Geunes E, Shao H, Zhang Y, Cheng J, Magpantay S, Mercado B, Mayer J, Houk K, Knowles R, Miller S. Enantioselective Hydrodifluoroalkylation of Alkenes with Conformationally Tuned Peptidyl Hydrogen Atom Transfer Catalysts. Journal Of The American Chemical Society 2025, 147: 11412-11424. PMID: 40111502, PMCID: PMC11983094, DOI: 10.1021/jacs.5c01166.Peer-Reviewed Original ResearchConceptsHydrogen atom transferHydrogen atom transfer catalystCarbon-carbon bond formationX-ray crystallographic analysisCarbon-centered radicalsChiral catalystsAsymmetric inductionAtom transferDFT calculationsPhotocatalytic generationTransfer catalystCrystallographic analysisBond formationEnantiomeric ratioCatalystX-rayAlkenesRadicalsDFTTrialkylaminesAmideConformationCysteineTetrapeptideResiduesPhotoelectrocatalytic reduction of CO2 to formate using immobilized molecular manganese catalysts on oxidized porous silicon
Hong Y, Jia X, Stewart-Jones E, Kumar A, Wedal J, Alvarez-Hernandez J, Donley C, Gang A, Gibson N, Hazari N, Houck M, Jeon S, Kim J, Koh H, Mayer J, Mercado B, Nedzbala H, Piekut N, Quist C, Stach E, Zhang Y. Photoelectrocatalytic reduction of CO2 to formate using immobilized molecular manganese catalysts on oxidized porous silicon. Chem 2025, 102462. DOI: 10.1016/j.chempr.2025.102462.Peer-Reviewed Original ResearchCO2 reduction to formateReduction to formateMolecular catalystsManganese complexesReduction of CO2 to formateReduction of carbon dioxideCO2 to formatePorous siliconBpy ligandsHybrid photoelectrodesManganese catalystsSilatrane groupSun illuminationCO2 reductionCatalystExcellent reproducibilitySemiconducting siliconCurrent densityPorous silicon waferOxidized porous siliconPhotoelectrodeManganeseSilatranesCarbon dioxidePhotoelectrocatalystsDual-substrate synergistic catalysis for highly efficient water purification
Shi L, Huang G, Wang Z, Duan Y, Zhang Y, Chen J, Li W, Yu H, Elimelech M. Dual-substrate synergistic catalysis for highly efficient water purification. Nature Water 2025, 3: 345-353. DOI: 10.1038/s44221-025-00400-3.Peer-Reviewed Original ResearchEfficient water purificationElectron transferWater purificationTraditional advanced oxidation processesInterfacial electron transferSynergistic catalysis strategyElectron transfer reactionsEngineering of catalystsHeterogeneous catalytic processesNon-radical oxidationAdvanced oxidation processesOxidation of pollutantsSynergistic catalysis systemCatalysis strategySynergistic catalysisCatalysis systemSubstrate activation processCatalytic processTransfer reactionsCatalystByproduct formationOxidation processSynergistic effectEfficient activationTheoretical analysisCatalyst-Controlled Regiodivergent Oxidation of Unsymmetrical Diols
Zacate S, Rein J, Rozema S, Annor R, Miller S, Lin S. Catalyst-Controlled Regiodivergent Oxidation of Unsymmetrical Diols. Journal Of The American Chemical Society 2025, 147: 8118-8124. PMID: 40019207, PMCID: PMC11918261, DOI: 10.1021/jacs.5c00330.Peer-Reviewed Original ResearchStatistical analysis of HAADF-STEM images to determine the surface coverage and distribution of immobilized molecular complexes
Jeon S, Nedzbala H, Huffman B, Pearce A, Donley C, Jia X, Bein G, Choi J, Durand N, Atallah H, Castellano F, Dempsey J, Mayer J, Hazari N, Stach E. Statistical analysis of HAADF-STEM images to determine the surface coverage and distribution of immobilized molecular complexes. Matter 2025, 8: 101919. DOI: 10.1016/j.matt.2024.11.013.Peer-Reviewed Original ResearchMolecular catalystsCatalytic systemSurface coverageImmobilization of molecular catalystsPositions of heavy atomsScanning transmission electron microscopyTransition metal complexesSurface immobilizationMetal complexesHeterogeneous catalysisHeavy atomsTransmission electron microscopyCombination of scanning transmission electron microscopyCatalystMolecular complexesSolid supportHAADF-STEM imagesElectron microscopyChemical mechanismCatalysisSurfaceAtomsComplexAttachment groupsConvolutional neural networkCopper Single-Atom Catalyst on Nanoconfined Ceramic Membranes for Fenton-Like Removal of Organic Contaminants
Hedtke T, Zhang Y, Beebe M, Rigby K, Meese A, Elimelech M, Kim J. Copper Single-Atom Catalyst on Nanoconfined Ceramic Membranes for Fenton-Like Removal of Organic Contaminants. ACS ES&T Engineering 2025, 5: 1171-1179. DOI: 10.1021/acsestengg.4c00843.Peer-Reviewed Original ResearchSingle-atom catalystsAdvanced oxidation processesFenton-like advanced oxidation processesEnhanced catalytic performanceStable catalytic activityImproved mass transfer efficiencyRemoval of organic contaminantsAnodic aluminum oxide membranesReduced membrane pore sizeCopper catalystCatalytic performanceNanoscale catalystsAluminum oxide membranesMembrane pore sizeMass transfer efficiencyCatalytic activityCatalytic membraneCatalystBenzoic acidOperational durabilityOxide membranesCeramic membranesNanoscale spaceNanometer-sized poresOxidation processEnantiocontrolled Cyclization to Form Chiral 7- and 8‑Membered Rings Unified by the Same Catalyst Operating with Different Mechanisms
Tampellini N, Mercado B, Miller S. Enantiocontrolled Cyclization to Form Chiral 7- and 8‑Membered Rings Unified by the Same Catalyst Operating with Different Mechanisms. Journal Of The American Chemical Society 2025, 147: 4624-4630. PMID: 39847512, PMCID: PMC11815475, DOI: 10.1021/jacs.4c17080.Peer-Reviewed Original ResearchApplication of asymmetric catalysisCyclization of substratesMedium-sized ringsSeven-membered ringEight-membered ringAxis of chiralitySingle bond axisChiral catalystsOrganocatalytic strategyAsymmetric catalysisCyclization methodStereogenic atomsCyclization reactionCyclization stepRing sizeMild conditionsCyclizationCatalystRingChiralityReactionMechanistic paradigmEnantiocontrolStereocontrolStericallySynthesis of polycarbonates and polyesters via tetraalkylammonium salt-catalyzed ring-opening polymerization
Suzuki R, Takagi S, Matsuda M, Yamamoto T, Tajima K, Li F, Isono T, Satoh T. Synthesis of polycarbonates and polyesters via tetraalkylammonium salt-catalyzed ring-opening polymerization. Chemistry Letters 2025, 54: upae242. DOI: 10.1093/chemle/upae242.Peer-Reviewed Original ResearchRing-opening polymerizationRing‐opening polymerization of cyclic carbonatesSynthesis of polycarbonatesCyclic carbonatesNarrow dispersitiesCounter anionCatalytic systemCyclic estersTetraalkylammonium saltsEffective catalystNMR spectroscopyAliphatic polycarbonatesAlkyl substratesCatalytic abilityCatalytic mechanismPolyesterPolycarbonateTetraalkylammoniumDispersitiesCatalystAnionsAlkylationPolymerizationSpectroscopyEsterpH-Dependent Electrocatalytic Aqueous Ammonia Oxidation to Nitrite and Nitrate by a Copper(II) Complex with an Oxidation-Resistant Ligand
Liu H, Lant H, Decavoli C, Crabtree R, Brudvig G. pH-Dependent Electrocatalytic Aqueous Ammonia Oxidation to Nitrite and Nitrate by a Copper(II) Complex with an Oxidation-Resistant Ligand. Journal Of The American Chemical Society 2025, 147: 1624-1630. PMID: 39757550, DOI: 10.1021/jacs.4c11822.Peer-Reviewed Original Research
2024
Cryo-EM structure of a photosystem I variant containing an unusual plastoquinone derivative in its electron transfer chain
Gisriel C, Kurashov V, Iwig D, Russell B, Vinyard D, Brudvig G, Golbeck J, Lakshmi K. Cryo-EM structure of a photosystem I variant containing an unusual plastoquinone derivative in its electron transfer chain. Science Advances 2024, 10: eadp4937. PMID: 39612342, PMCID: PMC11606441, DOI: 10.1126/sciadv.adp4937.Peer-Reviewed Original ResearchConceptsCryo-EM structureChemical bond energyElectron transfer chainBond energyPCC 6803Fuel catalystPhotosystem IBinding environmentTransfer chainLow binding affinityI variantsPlastoquinone derivativesBinding affinityCatalystPlastoquinone-9PS ICyanobacteriumBiophysical dataPhotosystemEnergyPhotonsVariantsAffinityCatalyst–Substrate Pairings for Carbocyclic and Heterocyclic Systems in Atroposelective Quinazolinone Synthesis
Guo M, Miller S. Catalyst–Substrate Pairings for Carbocyclic and Heterocyclic Systems in Atroposelective Quinazolinone Synthesis. ACS Catalysis 2024, 14: 17226-17232. PMID: 39912118, PMCID: PMC11793914, DOI: 10.1021/acscatal.4c05014.Peer-Reviewed Original ResearchChiral phosphoric acidPositive nonlinear effectNon-covalent interactionsQuinazolinone synthesisHeterocyclic systemsCatalyst scaffoldHigh enantioselectivityNitrogen heteroatomsEnantiomeric ratioCatalystReaction developmentCatalytic scaffoldMechanistic studiesEnantioselectivityPhosphoric acidSubstrateCarbocyclesCyclocondensationHeterocyclesHeteroatomsScaffoldsReactionSynthesisReactivityYieldStructure of a biohybrid photosystem I-platinum nanoparticle solar fuel catalyst
Gisriel C, Malavath T, Qiu T, Menzel J, Batista V, Brudvig G, Utschig L. Structure of a biohybrid photosystem I-platinum nanoparticle solar fuel catalyst. Nature Communications 2024, 15: 9519. PMID: 39496605, PMCID: PMC11535483, DOI: 10.1038/s41467-024-53476-y.Peer-Reviewed Original ResearchLight-driven H2 productionFuel catalystUnity quantum efficiencyPhotosynthetic biohybrid systemsPigment-protein complexesLight-driven enzymePlatinum nanoparticlesH2 productionQuantum efficiencyPhotosystem I complexCatalystChemical energyCryo-EM structureResolution cryo-EM structureBiohybrid systemsFuel productionStored solar energyPhotosystem IBiology platformReducing equivalentsMolecular basisI complexSolar energyBinding sitesStructureEnantioselective S‐Alkylation of Sulfenamides by Phase‐Transfer Catalysis
Champlin A, Kwon N, Ellman J. Enantioselective S‐Alkylation of Sulfenamides by Phase‐Transfer Catalysis. Angewandte Chemie 2024, 136 DOI: 10.1002/ange.202408820.Peer-Reviewed Original ResearchExcellent functional group compatibilityChiral sulfur centerFunctional group compatibilityPhase-transfer catalysisEfficient asymmetric synthesisChiral HPLC separationEnantioselective alkylationPseudoenantiomeric catalystsAsymmetric synthesisGroup compatibilityCinchona alkaloidsProtecting groupsSulfur centerPhase-transferReductive cleavageBioactive pharmacophoresAqueous KOHAqueous conditionsHPLC separationBroad scopeSulfenamideCinchonidineSulfiliminePharmacophoreCatalystEnantioselective S‐Alkylation of Sulfenamides by Phase‐Transfer Catalysis
Champlin A, Kwon N, Ellman J. Enantioselective S‐Alkylation of Sulfenamides by Phase‐Transfer Catalysis. Angewandte Chemie International Edition 2024, 63: e202408820. PMID: 39058627, PMCID: PMC11514311, DOI: 10.1002/anie.202408820.Peer-Reviewed Original ResearchExcellent functional group compatibilityChiral sulfur centerFunctional group compatibilityPhase-transfer catalysisEfficient asymmetric synthesisChiral HPLC separationEnantioselective alkylationPseudoenantiomeric catalystsAsymmetric synthesisGroup compatibilityCinchona alkaloidsProtecting groupsSulfur centerPhase-transferReductive cleavageBioactive pharmacophoresAqueous KOHAqueous conditionsHPLC separationBroad scopeSulfenamideCinchonidineSulfiliminePharmacophoreCatalystIron Catalysts Supported by a PNP Ligand with an Additional Hemilabile Donor for CO2 Hydrogenation
Wedal J, Virtue K, Bernskoetter W, Hazari N, Mercado B. Iron Catalysts Supported by a PNP Ligand with an Additional Hemilabile Donor for CO2 Hydrogenation. ACS Catalysis 2024, 14: 13903-13914. DOI: 10.1021/acscatal.4c04127.Peer-Reviewed Original ResearchPincer ligandIron complexesIron catalystCO2 hydrogenation to formateCatalyst resting stateIron hydride speciesHydrogenation to formateEther donorsPNP ligandCationic complexesCO2 hydrogenationHydride speciesActive catalystTurnover frequencyCatalytic performanceCatalytic lifetimeIron centerDehydrogenation reactionCatalyst deactivationCatalystTurnover numberCatalytic turnoverIron systemLigandTheoretical studyCatalytic Enantioselective Sulfoxidation of Functionalized Thioethers Mediated by Aspartic Acid-Containing Peptides
Huth S, Tampellini N, Guerrero M, Miller S. Catalytic Enantioselective Sulfoxidation of Functionalized Thioethers Mediated by Aspartic Acid-Containing Peptides. Organic Letters 2024, 26: 6872-6877. PMID: 39102356, PMCID: PMC11329351, DOI: 10.1021/acs.orglett.4c02452.Peer-Reviewed Original ResearchConceptsEnantioselective oxidation of sulfidesModel of transition stateLevels of enantioinductionOxidation of sulfidesChiral sulfoxidesPeptide catalystsTransition stateEnantioselective sulfoxidationAspartic acid-containing peptidesSulfoxideThioethersEnantioinductionCatalystMoietySubstrateHydrogenSulfideExperimental evidenceRh(II)-Catalyzed Enantioselective S‑Alkylation of Sulfenamides with Acceptor–Acceptor Diazo Compounds Enables the Synthesis of Sulfoximines Displaying Diverse Functionality
Patel S, Greenwood N, Mercado B, Ellman J. Rh(II)-Catalyzed Enantioselective S‑Alkylation of Sulfenamides with Acceptor–Acceptor Diazo Compounds Enables the Synthesis of Sulfoximines Displaying Diverse Functionality. Organic Letters 2024, 26: 6295-6300. PMID: 39004842, PMCID: PMC11292377, DOI: 10.1021/acs.orglett.4c02402.Peer-Reviewed Original Research
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