Electrochemical CO2 Reduction In article number 2208996, Pyuck-Pa Choi, Stefan Ringe, Jihun Oh, and co-workers report the synthesis of Cu–ceria-nanorod catalysts for electrochemical reduction. The ceria nanorods help CuO exist as several cluster layers at interface. Through strong metal–support interaction between Cu ceria, can be stably loaded on in a mixed oxidation state Cu/ceria interface, ...

The single crystals of discrete hydrated [(OAc)Cu(mu-hep)(2)Cu(OAc)].2H(2)O (.2H(2)O) and [(OAc)Cu(mu-hep)(2) Cu(O(n)Pr)].2H(2)O (.2H(2)O) (the lattice H(2)O molecules exist as a tetrameric water cluster, hep-H = 2-(2-hydroxyethyl)pyridine), OAc(-) = acetate and O(n)Pr(-) = n-propionate) undergo single-crystal to single-crystal (SCSC) transformations to the dehydrated and , respectively, under ...

Detailed electronic structures of Zn(II) and Cu(II) clusters from metallothioneins (MT) have been obtained using density functional theory (DFT), in order to investigate how oxidative stress-caused Cu(II) intermediates affect Zn-binding to MT and cooperatively lead to Cu(I)MT. The inferred accuracy is ∼0.02-0.03 Å for metal-thiolate bond lengths for the models that are the most realistic MT mod...

We use density functional theory (B3LYP) and the COSMO continuum solvent model to characterize the structure and stability of the hydrated Cu(II) complexes [Cu(MeNH(2))(H(2)O)(n-1)](2+) and [Cu(OH)(x)(H(2)O)(n-x)](2-x) (x = 1-3) as a function of metal coordination number (4-6) and cluster size (n = 4-8, 18). The small clusters with n = 4-8 are found to be the most stable in the nearly square-pl...

Motivation: Automatic sequence clustering has become very important in analyzing the ever increasing number of biological sequences. Unresolved issues in sequence clustering include limiting generation of incorrect and fragmented clusters, and handling different levels of cluster specificity. Graph theoretical approaches are often used in clustering problem. Sequences are represented as nodes a...

Ligand-protected Au 2 Cu 6 cluster exhibits not only fluorescence but also phosphorescence at room temperature and serves as a triplet sensitizer in fusion upconversion.

and theoretical study of a Mn(III)-Cu(II) dimer containing a Jahn-Teller compressed Mn ion' Dalton Transactions, vol 42, no. 1, pp. 207-216. General rights Copyright for the publications made accessible via the Edinburgh Research Explorer is retained by the author(s) and / or other copyright owners and it is a condition of accessing these publications that users recognise and abide by the legal...

Copper (Cu) ions serve as catalytic cofactors to drive key biochemical processes, and yet Cu levels that exceed cellular homeostatic control capacity are toxic. The underlying mechanisms for Cu toxicity are poorly understood. During pulmonary infection by the fungal pathogen Cryptococcus neoformans, host alveolar macrophages compartmentalize Cu to the phagosome, and the ability to detoxify Cu i...