In a paper published in SCIENCE CHINA Chemistry, a series of thermodynamically stable 2D cluster-based metal-organic frameworks (MOFs) Fe_n-(pyz) (n = 1~6) with room-temperature ferrimagnetism has been proposed based on first principles calculations. The strong d–p spin exchange interactions between the clusters and pyrazine ligands lead to robust ferrimagnetic ordering. Interestingly, altering the size of Fe_n clusters in Fe_n-(pyz) (n = 1~6) MOFs results in diverse functional spintronic properties, including bipolar magnetic semiconductors (BMS), half semiconductors (HSC) and Dirac half metals (HM).

Researchers at University of Tsukuba, Osaka University, and Kitasato University developed a novel amide cyclodextrin (cyclic oligosaccharide) that can selectively capture phosphate ions in water. In addition, the researchers revealed the mechanism by which this cyclic molecule captures phosphate in harmony with water molecules. This investigation helps elucidate the interaction between water molecules and substances in a water-based environment. It can thus lead to the development of materials that function efficiently in an aqueous environment.

Researchers have advanced carotenoid analysis by using quantum chemical calculations based on density functional theory to refine data for lycopene, β-carotene, and astaxanthin isomers. This method accurately predicts UV-visible spectra and response factors, surpassing experimental challenges in analyzing unstable or hard-to-purify Z-isomers. The study highlights how computational chemistry can enhance quantitative and qualitative analysis of carotenoids, contributing to improved product labeling and greater consumer confidence in the food, cosmetics, and pharmaceutical industries.

Physicists at the University of Cincinnati in a new paper outlined the next 10 years of global research into the behavior of neutrinos, particles so tiny that they pass through virtually everything by the trillions every second at nearly the speed of light.