More Like this

1. Active Plasmonics and Active Chiral Plasmonics through Orientation-Dependent Multipolar Interactions

   https://doi.org/10.1021/acsnano.0c03971  

   Stevenson, Peter R. ; Du, Matthew ; Cherqui, Charles ; Bourgeois, Marc R. ; Rodriguez, Kate ; Neff, Jacob R. ; Abreu, Endora ; Meiler, Ilse M. ; Tamma, Venkata Ananth ; Apkarian, Vartkess Ara ; et al ( September 2020 , ACS Nano)

   null (Ed.)
2. Enhanced Memory as a Common Effect of Active Learning: Enhanced Memory Through Active Learning

   https://doi.org/10.1111/mbe.12117  

   Markant, Douglas B. ; Ruggeri, Azzurra ; Gureckis, Todd M. ; Xu, Fei ( September 2016 , Mind, Brain, and Education)
3. Transient-State Analysis of Human Isocitrate Dehydrogenase I: Accounting for the Interconversion of Active and Non-Active Conformational States

   https://doi.org/10.1021/acs.biochem.9b00518  

   Roman, Joseph V. ; Melkonian, Trevor R. ; Silvaggi, Nicholas R. ; Moran, Graham R. ( August 2019 , Biochemistry)
4. Heterometallic [Cu–O–M] 2+ active sites for methane C–H activation in zeolites: stability, reactivity, formation mechanism and relationship to other active sites

   https://doi.org/10.1039/d1cy00687h  

   Adeyiga, Olajumoke ; Panthi, Dipak ; Odoh, Samuel O. ( August 2021 , Catalysis Science & Technology)

   The formation and reactivities of [Cu–O–M] 2+ species (M = Ti–Cu, Zr–Mo and Ru–Ag) in metal-exchanged zeolites, as well as stabilities of these species towards autoreduction by O 2 elimination are investigated with density functional theory. These species were investigated in zeolite mordenite in search of insights into active site formation mechanisms, the relationship between stability and reactivity as well as discovery of heterometallic species useful for isothermal methane-to-methanol conversion (MMC). Several [Cu–O–M] 2+ species (M = Ti–Cr and Zr–Mo) are substantially more stable than [Cu 2 O] 2+ . Other [Cu–O–M] 2+ species, (M = Mn–Ni and Ru–Ag) have similar formation energies to [Cu 2 O] 2+ , to within ±10 kcal mol −1 . Interestingly, only [Cu–O–Ag] 2+ is more active for methane activation than [Cu 2 O] 2+ . [Cu–O–Ag] 2+ is however more susceptible to O 2 elimination. By considering the formation energies, autoreduction, cost and activity towards the methane C–H bond, we can only conclude that [Cu 2 O] 2+ is best suited for MMC. Formation of [Cu 2 O] 2+ is initiated by proton transfer from aquo ligands to the framework and proceeds mostly via dehydration steps. Its μ-oxo bridge is formed via water-assisted condensation of two hydroxo groups. To evaluate the relationship between [Cu 2 O] 2+ and other active sites, we also examined the formation energies of other species. The formation energies follow the trend: isolated [Cu–OH] + < paired [Cu–OH] + < [Cu 2 O] 2+ < [Cu 3 O 3 ] 2+ . Inclusion of Gibbs free-energy corrections indicates activation temperatures of 257, 307 and 327 and 331 °C for isolated [Cu–OH] + , paired [Cu–OH] + , [Cu 2 O] 2+ and [Cu 3 O 3 ] 2+ , respectively. The provocative nature of the lower-than-expected activation temperature for isolated [Cu–OH] + species is discussed. 

   more » « less
5. Dinickel Active Sites Supported by Redox-Active Ligands

   https://doi.org/10.1021/acs.accounts.1c00424  

   Uyeda, Christopher ; Farley, Conner M. ( October 2021 , Accounts of Chemical Research)