We report a comprehensive computational benchmarking of the structural and optical properties of a bis(chelate) copper(I) guanidine-quinoline complex. Using various (TD-)DFT flavors a strong influence of the basis set is found. Moreover, the amount of exact exchange shifts metal-to-ligand bands by 1 eV through the absorption spectrum. The BP86/6-311G(d) and B3LYP/def2-TZVP functional/basis set ...

The use of a robust optical signaling probe with a high signal-to-noise ratio is important in the development of immunoassays. Lanthanide chelates are a promising material for this purpose, which provide time-resolved luminescence (TRL) due to their large Stokes shift and long luminescence lifetime. From this, they have attracted considerable interest in the in vitro diagnostics field. However,...

J1P NMR studies with Cd(II) and Zn(II) chelates of adenosine 5’-0-(34hiotriphosphate) (ATPyS) and the Cd(D) chelate of adenosine 5’-O-(24hiotriphosphate) (ATPBS) indicate that these metal ions chelate to the sulfur atom of the thiophosphate group. Since Mg(II) chelates to oxygen of the thiophosphate group of ATPjIS, the configuration of the Mg(II) chelate of one diastereoisomer is equivalent to...

The ability of ferrous chelates including hairtail protein hydrolysates to prevent and reduce fatigue was studied in rats. After hydrolysis of hairtail surimi with papain, the hairtail protein hydrolysates (HPH) were separated into three groups by range of relative molecular weight using ultrafiltration membrane separation. Hairtail proteins were then chelated with ferrous ions, and the antioxi...

Six-membered chelate complexes [Pd(1a-b)Cl2], (2a-b) and [Pd(1a-b)(η(3)-PhCHCHCHPh)]BF4, (3a-b) of P,N-type ligands 1a, ((2S,4S)-2-diphenyl-phosphino-4-isopropylamino-pentane) and 1b, ((2S,4S)-2-diphenyl-phosphino-4-methylamino-pentane) have been prepared. The Pd-complexes have been characterized in solution by 1D and 2D NMR spectroscopy. The observed structures were confirmed by DFT calculatio...

Luminescent lanthanide complexes consisting of a lanthanide-binding chelate and organic-based antenna molecule have unusual emission properties, including millisecond excited state lifetimes and sharply spiked spectra, compared to standard organic fluorophores. We have previously used carbostyril (cs124, 7-amino-4-methyl-2(1H)-quinolinone) as an antenna molecule (Li and Selvin, J. Am. Chem. Soc...

Calcium deficiency causes Endocarp Lesion disorder in pistachio nut. To investigate the effects of various calcium treatments on Endocarp Lesion disorder and some nut qualitative characteristics in Pistachio cv. Akbari, an experiment was done in completely randomized design with four treatments (1- control treatment, 2- calcium chelate foliar spray, 3- calcium nitrate and 4– calcium sulfate (gy...

Crystallography generally only provides static structural information. This can render it an ineffective technique for probing dynamic solution state processes. A crystal of HoDOTMA affords unique structures that effectively represent that of a lanthanide tetra-acetate chelate mid-way through the water exchange process.

Lead (Pb) is recognized as one of the most pervasive environmental health concerns in the industrialized world. While there has been a substantial reduction in the use of Pb in gasoline, water pipes, and Pb-based residential paint, residual Pb from their use is still in the environment and constitutes an important source of Pb in the atmosphere, water, and soil. Soil acts as a sink for these an...