Spectroscopic, Thermal, Microbiological, and Antioxidant Study of Alkali Metal 2-Hydroxyphenylacetates

The structural, spectral, thermal, and biological properties of hydroxyphenylacetic acid and lithium, sodium, potassium, rubidium, and cesium 2-hydroxyphenylacetates were analyzed by means of infrared spectroscopy FT-IR, electronic absorption spectroscopy UV-VIS, nuclear magnetic resonance 1H and 13C NMR, thermogravimetric analysis (TG/DSC), and quantum-chemical calculations at B3LYP/6-311++G** level. Moreover, the antioxidant (ABTS, FRAP, and CUPRAC assays), antibacterial (against E. coli, K. aerogenes, P. fluorescens, and B. subtilis) and antifungal (against C. albicans) properties of studied compounds were measured. The effect of alkali metal ions on the structure, thermal, and biological properties of 2-hydroxyphenylacetates was discussed.

Effects of Some Alkali and Alkaline Earth Metal Ions on the Initial Reaction Rates of Congregibacter litoralis KT71 β-lactamase Hydrolysis of 4-Nitrophenyl Myristate

The effects of some alkali metal ions (Na+ and K+) and alkaline earth metal ions (Mg 2+ and Ba2+) on the initial reaction rates of Congregibacter litoralis KT71 β-lactamase hydrolysis of 4-nitrophenyl myristate was investigated by varying the concentrations of the metal ions in the assay mixture which comprised of 100 µl of standard enzyme solution, 200 µl of varying concentration of metal ions, 500 µl of 50 mM sodium phosphate buffer pH 7.5 and 200 µl of 4-nitrophenyl myristate (substrate) which was added last to the assay mixture after an incubation time of 10 minutes at 44 oC. The enzyme activity was measured spectrophotometrically using a UV-780 recording spectrophotometer at a wavelength of 405 nm. The hydrolysis of 4-nitrophenyl myristate to yield 4-nitrophenol was monitored by reading the absorbance at 25 minutes. Results showed that the alkaline earth metal ions (Ba2+ and Mg2+) had higher enzyme activation effect than the alkali metal ions (K+ and Na+) Also, all metal ions except Mg2+ showed enzyme stimulatory effect at low concentrations (<2 mM) but inhibitory at higher ion concentrations (2 mM - 3 mM). Mg 2+ caused a proportionate decrease in enzyme activity from its peak (when metal ion concentration was lowest). Results from this research is of great significance to the industrialist especially where the search for novel lipases with unique characteristics suitable for the industries are inevitable.

Solid-State and Theoretical Investigations of Some Banister-Type Macrocycles with 2,2’-Aldoxime-1,1’-Biphenyl Units

In the context of helical chirality, bridging of biphenyl units leads to banister-type compounds and the stability of the resulted atropisomers may increase dramatically if suitable changes are performed in the linker unit that coils around the biphenyl moiety. A rigorous density functional theory (DFT) study was conducted for macrocycles containing rigid oxime ether segments connected to the biphenyl backbone in order to determine how the rotation barriers are influenced by the presence of either a flexible oligoethyleneoxide or a more rigid m–xylylene component in the macrocycle. The calculated values for the racemization barrier were in good agreement with those obtained experimentally and confirm the benefit of introducing a more rigid unit in the macrocycle on the stability of atropisomers. Solid-state data were obtained and computed data were used to assess the contribution brought by supramolecular associations observed in the lattice to the stabilization of the crystal structure. Beside introducing rigidity in the linker, complexation of flexible macrocycles with alkali metal ions is also contributing to the stability of atropisomers, leading to values for the racemization barrier matching that of the rigid macrocycle. Using diethylammonium cation as guest for the macrocycle, a spectacular increase in the barrier to rotation was observed for the resulted pseudo[2]rotaxane.