Faculty

Institution

Unit

Venue

Simone Raugei

Research Professor IBC

Washington State University

Affiliations

College of Agricultural, Human, and Natural Resource Sciences

Institute of Biological Chemistry

Simone Raugei is currently serving as a College Of Agricultural, Human, And Natural Resource Sciences Research Professor IBC at Washington State University.

Honors

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Experiences

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Education

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Simone Raugei

Washington State University

Research Professor IBC

You can click a keyword to filter the displayed items

chemistry transition metal chemistry enzymes catalysis biochemistry inorganic chemistry coordination chemistry materials science physical chemistry chemical engineering enzyme catalysis protein science structural biology electrochemistry energy chemistry biophysical chemistry biological chemistry molecular catalysis redox biology reactive nitrogen species organometallic catalysis computational chemistry structure-function enzyme kinetics material chemistry structural molecular biology biocatalysis quantum chemistry redox chemistry biological inorganic chemistry chemical sciences biochemical sciences biomolecular structure hydrogen production nitrosative stress industrial catalysis pendant amines bioenergetics hydrogen energy catalyst preparation catalyst activation catalytic synthesis hydrogen oxidation enzyme inhibition metalloproteins fe protein advanced energy material ab-initio methods inorganic synthesis coordination complex heterogeneous catalysis structure elucidation plant molecular biology biological systems ammonia oxidation car-parrinello molecular dynamics nickel complexes aqueous solution catalytic bias molecular dynamics mathematical chemistry charge transport bioorganometallic chemistry catalytic applications inorganic photochemistry protein chemistry spectra-structure correlation surface reactivity radical mechanism nickel electrocatalysts water molecules proton delivery charge transfer molecular dynamics study radical (chemistry) in-situ conversion novel interface sustainable chemistry energy storage

Notable Scholarly Works

Notable Federal Grants

Collaborators

Abstract 1650 Understanding Metal Preferences in Homologous Acetone Carboxylases. Journal of Biological Chemistry (2024)

Tamara DixonKrista ShislerWilliam KincannonAdam Valaydon-PillaySebastian StoianSimone RaugeiBrian BothnerJennifer DuBoisJohn Peters

biophysicsenzymesprotein sciencehomologous acetone carboxylasesintegrative biologybiochemistrychemical biologymolecular biologybiological chemistrystructural biologybiological inorganic chemistry

Active Site Ensembles on Ni2P Surfaces Tune Electrocatalytic Nitrate Reduction Selectivity. (2024)

Emily NishiwakiPeter RiceDing-Yuan KuoFlorence DouAnthony PykaBryce ReidHao NguyenEric StuveSimone RaugeiBrandi Cossairt

inorganic chemistrysurface scienceelectrochemical surface scienceactive site ensemblessurface chemistrysurface electrochemistrymaterials scienceelectrochemistry

Direct Observation of β-Alkynyl Eliminations From Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage. Chemical Science (2024)

Ba L. TranJack T. FullerJeremy D. EricksonBojana GinovskaSimone Raugei

chemical sciencesinorganic chemistrycoordination complexdirect observationcoordination chemistrycatalysistransition metal chemistryc-c bond cleavagechemistryb-alkynyl eliminationsorganometallic chemistry

Dynamic Activation of Single Atom Catalysts by Reaction Intermediates: Conversion of Formic Acid on Rh-Fe3O4(001). (2024)

Christopher J. LeeMarcus A. SharpBenjamin A. JacksonMausumi MahapatraSimone RaugeiLíney ÁrnadóttirMal-Soon LeeBruce D. KayZdenek Dohnalek

inorganic chemistrysingle atom catalystscoordination chemistryformic acidcatalysistransition metal chemistrychemistrydynamic activationmaterials science

Dynamic Activation of Single-Atom Catalysts by Reaction Intermediates: Conversion of Formic Acid on Rh/Fe 3 O 4 (001). ACS Catalysis (2024)

Christopher J. LeeMarcus A. SharpBenjamin A. JacksonMausumi MahapatraSimone RaugeiLíney ÁrnadóttirMal-Soon LeeBruce D. KayZdenek Dohnálek

chemical reaction engineeringcatalysischemistrysingle-atom catalystsustainable chemistrydynamic activationnanoparticle researchinorganic chemistrycatalytic synthesischemical engineeringnanoengineeringchemical synthesisstructural chemistrycoordination chemistryindustrial catalysisformic acidorganometallic catalysistransition metal chemistrycatalyst activationbiomolecular engineering

Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe–2S] Systems: A Benchmark Study of the [Fe 2 S 2 (Sch 3 ) 4 ] 2–,3–,4–, [Fe 2 S 2 (Scys) 4 ] 2–, [Fe 2 S 2 (S- P -Tol) 4 ] 2–, and [Fe 2 S 2 (S- O -Xyl) 4 ] 2– Complexes. Journal of Chemical Theory and Computation (2024)

Demeter TzeliPavlo GolubJiri BrabecMikuláš MatoušekKatarzyna PernalLibor VeisSimone RaugeiSotiris S. Xantheas

chemistryelectron spectroscopychemical engineeringelectron correlationcomputational chemistryelectronic structurefull duplexsurface reactivityquantum chemistrystructural chemistrycoordination chemistrysoft modephysical chemistrycrystallographytransition metal chemistrychemical structuremolecular structuredensity functional theorymaterials science

Molecular Mechanism of Trehalose 6-Phosphate Inhibition of the Plant Metabolic Sensor Kinase Snrk1. Science Advances (2024)

Jantana BlanfordZhiyang ZhaiMarcel D. BaerGongrui GuoHui LiuQun LiuSimone RaugeiJohn Shanklin

metabolismenzymesplant metabolismbiochemistrymolecular mechanismpharmacologymolecular biologyscience advanceplant physiology

Ni2P Active Site Ensembles Tune Electrocatalytic Nitrate Reduction Selectivity. Chemical Communications (2024)

Emily NishiwakiPeter S. RiceDing-Yuan KuoFlorence Y. DouAnthony PykaBryce ReidHao A. NguyenEric M. StuveSimone RaugeiBrandi M. Cossairt

energy chemistryinorganic chemistrychemical engineeringactive site ensembleschemistryelectrochemistry

A Conformational Equilibrium in the Nitrogenase Mofe Protein With an α-V70I Amino Acid Substitution Illuminates the Mechanism of H 2 Formation. Faraday Discussions (2023)

Dmitriy A. LukoyanovZhi-Yong YangKrista ShislerJohn W. PetersSimone RaugeiDennis R. DeanLance C. SeefeldtBrian M. Hoffman

nitrosative stressstructural molecular biologyenzymesprotein scienceenzyme catalysisbiomolecular structureprotein foldingconformational equilibriumbiochemistrynitrogenase active-site cofactorreactive nitrogen speciesnitrogenase mofe proteinmolecular biologybiological chemistryprotein structurestructure-function enzyme kineticsenzyme inhibitionstructural biology

Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts. ACS Catalysis (2023)

Bojana GinovskaOliver Y. GutiérrezAbhi KarkamkarMal-Soon LeeJohannes A. LercherYue LiuSimone RaugeiRoger RousseauWendy J. Shaw

biological engineeringenzymesbiochemical engineeringenzyme catalysismolecular catalysisbiocatalysiscatalysisbiomedical engineeringcatalyst design principlesbiomolecular engineering

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Simone Raugei

Research Professor IBC

Washington State University

Affiliations

College of Agricultural, Human, and Natural Resource Sciences

Institute of Biological Chemistry

Simone Raugei is currently serving as a College Of Agricultural, Human, And Natural Resource Sciences Research Professor IBC at Washington State University.

Honors

Create free account to unlock more features

Experiences

Create free account to unlock more features

Education

Create free account to unlock more features

Simone Raugei

Washington State University

Research Professor IBC

You can click a keyword to filter the displayed items

Notable Scholarly Works

Notable Federal Grants

Collaborators

Abstract 1650 Understanding Metal Preferences in Homologous Acetone Carboxylases. Journal of Biological Chemistry (2024)

Tamara DixonKrista ShislerWilliam KincannonAdam Valaydon-PillaySebastian StoianSimone RaugeiBrian BothnerJennifer DuBoisJohn Peters

biophysicsenzymesprotein sciencehomologous acetone carboxylasesintegrative biologybiochemistrychemical biologymolecular biologybiological chemistrystructural biologybiological inorganic chemistry

Active Site Ensembles on Ni2P Surfaces Tune Electrocatalytic Nitrate Reduction Selectivity. (2024)

Emily NishiwakiPeter RiceDing-Yuan KuoFlorence DouAnthony PykaBryce ReidHao NguyenEric StuveSimone RaugeiBrandi Cossairt

inorganic chemistrysurface scienceelectrochemical surface scienceactive site ensemblessurface chemistrysurface electrochemistrymaterials scienceelectrochemistry

Direct Observation of β-Alkynyl Eliminations From Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage. Chemical Science (2024)

Ba L. TranJack T. FullerJeremy D. EricksonBojana GinovskaSimone Raugei

Dynamic Activation of Single Atom Catalysts by Reaction Intermediates: Conversion of Formic Acid on Rh-Fe3O4(001). (2024)

Christopher J. LeeMarcus A. SharpBenjamin A. JacksonMausumi MahapatraSimone RaugeiLíney ÁrnadóttirMal-Soon LeeBruce D. KayZdenek Dohnalek

inorganic chemistrysingle atom catalystscoordination chemistryformic acidcatalysistransition metal chemistrychemistrydynamic activationmaterials science

Dynamic Activation of Single-Atom Catalysts by Reaction Intermediates: Conversion of Formic Acid on Rh/Fe 3 O 4 (001). ACS Catalysis (2024)

Christopher J. LeeMarcus A. SharpBenjamin A. JacksonMausumi MahapatraSimone RaugeiLíney ÁrnadóttirMal-Soon LeeBruce D. KayZdenek Dohnálek

Demeter TzeliPavlo GolubJiri BrabecMikuláš MatoušekKatarzyna PernalLibor VeisSimone RaugeiSotiris S. Xantheas

Molecular Mechanism of Trehalose 6-Phosphate Inhibition of the Plant Metabolic Sensor Kinase Snrk1. Science Advances (2024)

Jantana BlanfordZhiyang ZhaiMarcel D. BaerGongrui GuoHui LiuQun LiuSimone RaugeiJohn Shanklin

metabolismenzymesplant metabolismbiochemistrymolecular mechanismpharmacologymolecular biologyscience advanceplant physiology

Ni2P Active Site Ensembles Tune Electrocatalytic Nitrate Reduction Selectivity. Chemical Communications (2024)

Emily NishiwakiPeter S. RiceDing-Yuan KuoFlorence Y. DouAnthony PykaBryce ReidHao A. NguyenEric M. StuveSimone RaugeiBrandi M. Cossairt

energy chemistryinorganic chemistrychemical engineeringactive site ensembleschemistryelectrochemistry

A Conformational Equilibrium in the Nitrogenase Mofe Protein With an α-V70I Amino Acid Substitution Illuminates the Mechanism of H 2 Formation. Faraday Discussions (2023)

Dmitriy A. LukoyanovZhi-Yong YangKrista ShislerJohn W. PetersSimone RaugeiDennis R. DeanLance C. SeefeldtBrian M. Hoffman

Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts. ACS Catalysis (2023)

Bojana GinovskaOliver Y. GutiérrezAbhi KarkamkarMal-Soon LeeJohannes A. LercherYue LiuSimone RaugeiRoger RousseauWendy J. Shaw

biological engineeringenzymesbiochemical engineeringenzyme catalysismolecular catalysisbiocatalysiscatalysisbiomedical engineeringcatalyst design principlesbiomolecular engineering

1
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