Guest selectivity of [Ni] supramolecular helicates.

Two new paramagnetic supramolecular helicates with the formula (X@[NiL]) (X = Cl, or Br; L = a bis-pyrazolylpyridine ligand) have been prepared and are described. Helicates of this metal are very rare with virtually no prior examples of them acting as hosts of anionic species. The persistence of the new assemblies in solution has been demonstrated unambiguously by mass spectrometry and paramagnetic H NMR.

Uncovering structural variants associated with body weight and obesity risk in labrador retrievers: a genome-wide study.

Although obesity in the domestic dog ( familiaris) is known to decrease well-being and shorten lifespan, the genetic risk variants associated with canine obesity remain largely unknown. In our study, which focused on the obesity-prone Labrador Retriever breed, we conducted a genome-wide analysis to identify structural variants linked to body weight and obesity. Obesity status was based on a 5-point body condition score (BCS) and the obese dog group included all dogs with a BCS of 5, along with dogs with the highest body weight within the BCS 4 group.

No evidence that long runs of homozygosity tend to harbor risk variants for polygenic obesity in Labrador retriever dogs.

Canine polygenic obesity can be influenced by relatively recent mutations with large effects. We determined whether, as with monogenic diseases, long autozygous tracts may be disproportionately likely to harbor detrimental variants for additive polygenic obesity in Labrador retriever dogs. Both our detection of runs of homozygosity (ROH) and our preliminary association study were based on whole-genome sequencing of 28 obese and 22 healthy dogs.

Accurate Magnetic Couplings in Chromium-Based Molecular Rings from Broken-Symmetry Calculations within Density Functional Theory.

We present a comprehensive analysis of magnetic coupling in a group of three popular chromium-based molecular rings, the homometallic Cr ring and the heterometallic CrNi and CrZn molecules. We show conclusively that the broken symmetry approach within density functional theory (DFT), based on suitable conventional or range-separated hybrid functionals, provides a quantitatively reliable tool to extract magnetic exchange coupling parameters in all rings considered, which opens a window for additional applications in molecular magnetism. We further show that a nonempirical model spin Hamiltonian, based on the parameters extracted from DFT, leads to excellent agreement with experimental susceptibility data and energy spectra.

Synthesis and magneto-structural studies on a new family of carbonato bridged 3d-4f complexes featuring a [CoLn(CO)] (Ln = La, Gd, Tb, Dy and Ho) core: slow magnetic relaxation displayed by the cobalt(ii)-dysprosium(iii) analogue.

A new family of [3 + 3] hexanuclear 3d-4f complexes [(μ-CO){CoLnL(μ-OH)(OH)}]-(ClO)·mCHOH·nHO (1-5) [Ln = La (1), Gd (2), Tb (3), Dy (4), and Ho (5)] have been prepared in moderate to high yields (62-78%) following a self-assembly reaction between the ligand 6,6',6''-(nitrilotris(methylene))tris-(2-methoxy-4-methylphenol) (HL), Co(OAc)·4HO and the lanthanide ion precursors in the mandatory presence of tetrabutylammonium hydroxide. During the reaction, atmospheric carbon dioxide is fixed in the product molecule as a bridging carbonato ligand which connects all the three lanthanide centers of this molecular assembly through a rare η:η:η-μ mode of bridging as revealed from X-ray crystallography. The metal centers in all these compounds, except the Gd analogue (2), are coupled in antiferromagnetic manner while the nature of coupling in the CoGd complex is ferromagnetic.

A classification of spin frustration in molecular magnets from a physical study of large odd-numbered-metal, odd electron rings.

The term "frustration" in the context of magnetism was originally used by P. W. Anderson and quickly adopted for application to the description of spin glasses and later to very special lattice types, such as the kagomé.