Reversible colour/luminescence colour changes of tetracyanoruthenium(II) complexes by sorption/desorption of water molecules in crystal

We report colour/luminescence colour changes of M[Ru(bpy)(CN)4] crystal (M2+ = Ca2+, Sr2+, and Ba2+; bpy = 2,2’-bipyridine). An X-ray crystallographic study reveals the crystals are constructed by linear-chains of {[Ru(bpy)(CN)4][Ca(H2O)5]}n,...

The formation of impact coesite

Coesite in impact rocks is traditionally considered a retrograde product formed during pressure release by the crystallisation of an amorphous phase (either silica melt or diaplectic glass). Recently, the detailed microscopic and crystallographic study of impact ejecta from Kamil crater and the Australasian tektite strewn field pointed in turn to a different coesite formation pathway, through subsolidus quartz-to-coesite transformation. We report here further evidence documenting the formation of coesite directly from quartz. In Kamil ejecta we found sub-micrometric single-coesite-crystals that represent the first crystallization seeds of coesite. Coesite in Australasian samples show instead well-developed subeuhedral crystals, growing at the expenses of hosting quartz and postdating PDF deformation. Coesite (010) plane is most often parallel to quartz {10–11} plane family, supporting the formation of coesite through a topotactic transformation. Such reaction is facilitated by the presence of pre-existing and shock-induced discontinuities in the target. Shock wave reverberations can provide pressure and time conditions for coesite nucleation and growth. Because discontinuities occur in both porous and non-porous rocks and the coesite formation mechanism appears similar for small and large impacts, we infer that the proposed subsolidus transformation model is valid for all types of quartz-bearing target rocks.

Crystal structure, Hirshfeld surface and photophysical analysis of 2-nitro-3-phenyl-9H-carbazole

The title compound, C18H12N2O2, was synthesized from a dinitrobiphenylbenzene derivative using a novel modification of the Cadogan reaction. The reaction has several possible ring-closed products and the title compound was separated as the major product. The X-ray crystallographic study revealed that the carbazole compound crystallizes in the monoclinic P\overline{1} space group and possesses a single closed Cadogan ring. There are two independent molecules in the asymmetric unit. In the crystal, the molecules are linked by N—H...O hydrogen bonding.

Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family

We performed an X-ray crystallographic study of complexes of protein kinase PIM-1 with three inhibitors comprising an adenosine mimetic moiety, a linker, and a peptide-mimetic (d-Arg)6 fragment. Guided by the structural models, simplified chemical structures with a reduced number of polar groups and chiral centers were designed. The developed inhibitors retained low-nanomolar potency and possessed remarkable selectivity toward the PIM kinases. The new inhibitors were derivatized with biotin or fluorescent dye Cy5 and then applied for the detection of PIM kinases in biochemical solutions and in complex biological samples. The sandwich assay utilizing a PIM-2-selective detection antibody featured a low limit of quantification (44 pg of active recombinant PIM-2). Fluorescent probes were efficiently taken up by U2OS cells and showed a high extent of co-localization with PIM-1 fused with a fluorescent protein. Overall, the developed inhibitors and derivatives represent versatile chemical tools for studying PIM function in cellular systems in normal and disease physiology.

Maintenance of the Neuroprotective Function of the Amino Group Blocked Fluorescence-Agmatine

Agmatine, an endogenous derivative of arginine, has been found to be effective in treating idiopathic pain, convulsion, stress-mediated behavior, and attenuate the withdrawal symptoms of drugs like morphine. In the early stages of ischemic brain injury in animals, exogenous agmatine treatment was found to be neuroprotective. Agmatine is also considered as a putative neurotransmitter and is still an experimental drug. Chemically, agmatine is called agmatine 1-(4-aminobutyl guanidine). Crystallographic study data show that positively-charged guanidine can bind to the protein containing Gly and Asp residues, and the amino group can interact with the complimentary sites of Glu and Ser. In this study, we blocked the amino end of the agmatine by conjugating it with FITC, but the guanidine end was unchanged. We compared the neuroprotective function of the agmatine and agmatine-FITC by treating them in neurons after excitotoxic stimulation. We found that even the amino end blocked neuronal viability in the excitotoxic condition, by NMDA treatment for 1 h, was increased by agmatine-FITC, which was similar to that of agmatine. We also found that the agmatine-FITC treatment reduced the expression of nitric oxide production in NMDA-treated cells. This study suggests that even if the amino end of agmatine is blocked, it can perform its neuroprotective function.