Structure and Neuroprotector Properties of a Complex Compound of Lithium with Comenic Acid.

The structure, antioxidant and neuroprotective properties of lithium comenate (lithium 5-hydroxy-4-oxo-4H-pyran-2-carboxylate) were studied. Lithium comenate was obtained by reacting comenic acid (HCom) with lithium hydroxide in an aqueous solution. The structure of lithium comenate was confirmed via thermal analysis, mass spectrometry, IR, NMR and UV spectroscopy.

Crystal structures of 4-(2/3-meth-oxy-phen-oxy)phthalo-nitrile.

The syntheses and crystal structures are reported of 4-phen-oxy-substituted phthalo-nitriles with meth-oxy groups in the - and -positions of the terminal benzene rings, respectively, namely, 4-(2-meth-oxy-phen-oxy)phthalo-nitrile and 4-(3-meth-oxy-phen-oxy)phthalo-nitrile, both CHNO. The https://journals.iucr.

Gigantic supramolecular assemblies built from dynamic hierarchical organization between inorganic nanospheres and porphyrins.

Noncovalent ionic interactions between nanosized Keplerate-type capsules {Mo} and tetra-cationic porphyrins have been investigated in aqueous solution using small-angle X-ray scattering, H NMR and photophysical methods. These complementary multiscale methods reveal the formation of large hybrid oligomers built from a short-range organization in which the cationic porphyrin is glued onto the large POM surface. The local structuring appears to be strongly dependent on the dye : {Mo} ratio changing the morphology of the oligomers from linear to dense aggregates.

Synthesis and Spectroscopic and Luminescent Properties of Er, Yb and Lu Complexes with Cyano-Substituted Phthalocyanine Ligands.

Based on 4,4'-[1,3/4-phenilenebis(oxy)]phthalodinitriles, the mixture of phthalocyaninates of various structures with rare-earth metals were obtained by template fusion method minimizing the side polymerization processes. Target monophthalocyaninates were isolated from the reaction mixture and purified using column and then gel permeation chromatography. The compounds were characterized by NMR, IR spectroscopy, mass spectrometry, and elemental analysis.

2-Amino-4,5-dihydrothiophene-3-carbonitriles: A New Synthesis, Quantum Chemical Studies, and Mannich-Type Reactions Leading to New Hexahydrothieno[2,3-d]pyrimidines.

-2-Amino-4-aryl-5-benzoyl-4,5-dihydrothiophene-3-carbonitriles were prepared either by the reaction of 3-aryl-2-cyanothioacrylamides with α-thiocyanatoacetophenone or by the Michael-type addition of cyanothioacetamide to α-bromochalcones followed by intramolecular cyclization. The mechanism of the first reaction was studied using high-level quantum chemical calculations. Density functional theory (DFT) studies were carried out to determine the mechanism of the first reaction.

Synthesis, Spectroscopic Properties and Redox Behavior Kinetics of Rare-Earth Bistetrakis-4-[3-(3,4-dicyanophenoxy)phenoxy]phthalocyaninato Metal Complexes with Er, Lu and Yb.

Novel bistetrakis-4-[3-(3,4-dicyanophenoxy)phenoxy]phthalocyaninato of complexes erbium, lutetium and ytterbium were synthesized using a template fusion method to prevent any polymerization process. The complexes were separated from the reaction mixtures and characterized by NMR, IR and electron absorption spectroscopy. The spectroscopic properties of the metal phthalocyaninates in chloroform, acetone and tetrahydrofuran were studied.

Quantum Chemical Study Aimed at Modeling Efficient Aza-BODIPY NIR Dyes: Molecular and Electronic Structure, Absorption, and Emission Spectra.

A comprehensive study of the molecular structure of aza-BODIPY and its derivatives, obtained by introduction of one or more substituents, was carried out. We considered the changes in the characteristics of the electronic and geometric structure of the unsubstituted aza-BODIPY introducing the following substituents into the dipyrrin core; phenyl, 2-thiophenyl, 2-furanyl, 3-pyridinyl, 4-pyridinyl, 2-pyridinyl, and ethyl groups. The ground-state geometries of the unsubstituted Aza-BODIPY and 27 derivatives were computed at the PBE/6-31G(d) and CAM-B3LYP/6-31+G(d,p) levels of theory.

Analysis of binding ability of two tetramethylpyridylporphyrins to albumin and its complex with bilirubin.

An interaction between 5,10,15,20-tetrakis-(N-methyl-x-pyridyl)porphyrins, x=2; 4 (TMPyPs) with bovine serum albumin (BSA) and its bilirubin (BR) complex was investigated by UV-Viz and fluorescence spectroscopy under imitated physiological conditions involving molecular docking studies. The parameters of forming intermolecular complexes (binding constants, quenching rate constants, quenching sphere radius etc.) were determined.