Deuteron and antideuteron production in Au+Au collisions at square root of s(NN)=200 GeV

The production of deuterons and antideuterons in the transverse momentum range 1.1相似文献   

A Barrel-Shaped Metal–Organic Blue-Box Analogue with Photo-/Redox-Switchable Behavior

Donor–acceptor interactions are ubiquitous in the design and understanding of host–guest complexes. Despite their non-covalent nature, they can readily dictate the self-assembly of complex architectures. Here, a photo-/redox-switchable metal–organic nanocapsule is presented, which was assembled by using lanthanide ions and viologen building blocks, by relying on such donor–acceptor interactions. The potential of this unique barrel-shaped structure is highlighted for the encapsulation of suitable electron donors, akin to the well-investigated “blue-box” macrocycles. The light-triggered reduction of the viologen units has been investigated by single-crystal-to-single-crystal X-ray diffraction experiments, complemented by magnetic, optical, and solid-state electrochemical characterizations. Density functional theory (DFT) calculations were employed to suggest the most likely electron donor in the light-triggered reduction of the viologen-based ligand.     

The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions

Vitamin B(12) and its biologically active counterparts possess the only examples of carbon-cobalt bonds in living systems. The role of such motifs as radical reservoirs has potential application in future catalytic and electronic nanodevices. To fully understand radical generation in coenzyme B(12) (dAdoCbl)-dependent enzymes, however, major obstacles still need to be overcome. In this work, we have used Car-Parrinello molecular dynamics (CPMD) simulations, in a mixed quantum mechanics/molecular mechanics (QM/MM) framework, to investigate the initial stages of the methylmalonyl-CoA-mutase-catalyzed reaction. We demonstrate that the 5'-deoxyadenosyl radical (dAdo(?)) exists as a distinct entity in this reaction, consistent with the results of extensive experimental and some previous theoretical studies. We report free energy calculations and first-principles trajectories that help understand how B(12) enzymes catalyze coenzyme activation and control highly reactive radical intermediates.     

Redox-Responsive Metallo-Supramolecular Polymers and Gels Containing bis-Terpyridine Appended Cyclam Ligand

Summary: Soluble coordination polymers and gels built from a polytopic ligand containing two terpyridine units linked by a azamacrocyclic group are presented. This system originally incorporates two different types of metal complexes in the same polymer chain which induces remarkable electrochromic properties and a rare redox triggered reversible sol-gel transition.