Millisecond timescale reactions observed via X-ray spectroscopy in a 3D microfabricated fused silica mixer. Corrigendum

Autor: Diego A. Huyke, Ashwin Ramachandran, Oscar Ramirez-Neri, Jose A. Guerrero-Cruz, Leland B. Gee, Augustin Braun, Dimosthenis Sokaras, Brenda Garcia-Estrada, Edward I. Solomon, Britt Hedman, Mario U. Delgado-Jaime, Daniel P. DePonte, Thomas Kroll, Juan G. Santiago

Publikováno v: Journal of Synchrotron Radiation, Vol 29, Iss 3, Pp 930-930 (2022)

A figure in the article by Huyke et al. [(2021), J. Synchrotron Rad. 28, 1100–1113] is corrected.

Externí odkaz: https://doaj.org/article/c8dbf5511e784a39a253ed0abaa43962

Nuclear Resonance Vibrational Spectroscopic Definition of the Fe(IV)2 Intermediate Q in Methane Monooxygenase and Its Reactivity

Autor: Kiyoung Park, Makoto Seto, Makina Saito, Ariel B. Jacobs, Jeffrey T. Babicz, Kenji Tamasaku, Leland B. Gee, Yoshitaka Yoda, Shinji Kitao, Kyle D. Sutherlin, Rahul Banerjee, John D. Lipscomb, Edward I. Solomon, Yasuhiro Kobayashi, Dory Ellen Deweese, Lars H. Böttger, Augustin Braun

Publikováno v: Journal of the American Chemical Society. 143:16007-16029

Methanotrophic bacteria utilize the nonheme diiron enzyme soluble methane monooxygenase (sMMO) to convert methane to methanol in the first step of their metabolic cycle under copper-limiting conditions. The structure of the sMMO Fe(IV)2 intermediate

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6f3ff2368e60708a7a1db8c004634c10
https://doi.org/10.1021/jacs.1c05436

ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning

Autor: Keiran C. Thompson, Amelia Woodward, Benjamin Choi, Augustin Braun, Todd J. Martínez, Hayley Weir

Publikováno v: Chemical Science

Inputting molecules into chemistry software, such as quantum chemistry packages, currently requires domain expertise, expensive software and/or cumbersome procedures. Leveraging recent breakthroughs in machine learning, we develop ChemPix: an offline

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ccbfbf596e71fbd17a3a393cf621a32
https://doi.org/10.1039/d1sc02957f

Tuning the Geometric and Electronic Structure of Synthetic High-Valent Heme Iron(IV)-Oxo Models in the Presence of a Lewis Acid and Various Axial Ligands

Autor: Pierre Moënne-Loccoz, Edward I. Solomon, Keith O. Hodgson, Augustin Braun, Britt Hedman, Melanie A. Ehudin, Kenneth D. Karlin, Sinan Sabuncu, Leland B. Gee

Publikováno v: Journal of the American Chemical Society. 141:5942-5960

High-valent ferryl species (e.g., (Por)Fe(IV)=O, Cmpd-II) are observed or proposed key oxidizing intermediates in the catalytic cycles of heme-containing enzymes (P-450s, peroxidases, catalases, and cytochrome c oxidase) involved in biological respir

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dbaacdc48229008b760b43364002a0db
https://doi.org/10.1021/jacs.9b00795

Effect of 3d/4p Mixing on 1s2p Resonant Inelastic X-ray Scattering: Electronic Structure of Oxo-Bridged Iron Dimers

Autor: Tsu-Chien Weng, Britt Hedman, James J. Yan, Amélie Juhin, Augustin Braun, Keith O. Hodgson, Dimosthenis Sokaras, Samuel A. Wilson, Leland B. Gee, M.-A. Arrio, Marcus Lundberg, Michael L. Baker, Edward I. Solomon, Thomas Kroll

Publikováno v: Journal of the American Chemical Society
Journal of the American Chemical Society, American Chemical Society, 2021, 143, pp.4569-4584. ⟨10.1021/jacs.0c11193⟩
Journal of the American Chemical Society, 2021, 143, pp.4569-4584. ⟨10.1021/jacs.0c11193⟩
J Am Chem Soc

International audience; 1s2p resonant inelastic X-ray scattering (1s2p RIXS) has proven successful in the determination of the differential orbital covalency (DOC, the amount of metal vs ligand character in each d molecular orbital) of highly covalen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c239349942052f27db73784eedf45cfb
https://hal.archives-ouvertes.fr/hal-03400963/document