Experimental and quantum chemical calculational studies on 2-[(4-propylphenylimino)methyl]-4-nitrophenol

The Schiff base compound 2-[(4-propylphenylimino)methyl]-4-nitrophenol has been synthesized and characterized by IR, UV–Vis, and X-ray single-crystal determination. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree–Fock (HF) and density functional theory (DFT) with the 6-31G(d) basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behaviour of the title compound in solvent media was examined using the B3LYP method with the 6-31G(d) basis set by applying the Onsager and the polarizable continuum model (PCM). The results obtained with these methods reveal that the PCM method provides a more stable structure than Onsager's method. Using the TD-DFT method, electronic absorption spectra of the title compound have been predicted and good agreement with the TD-DFT method and the experimental determination was found. The predicted nonlinear optical properties of the title compound are much greater than those of urea. In addition, DFT calculations of the molecular electrostatic potential and NBO analysis of the title compound were carried out at the B3LYP/6-31G(d) level of theory.     

Fitting Single Particle Energies in sdgh Major Shell

We have performed two kinds of non-linear fitting procedures to the single-particle energies in the sdgh major shell to obtain better shell model results. The low-lying energy eigenvalues of the light Sn isotopes with A = 103- 110 in the sdgh-shell are calculated in the framework of the nuclear shell model by using CD-Bonn two-body effective nucleonnucleon interaction. The obtained energy eigenvalues are fitted to the corresponding experimental values by using two different non-linear fitting procedures, i.e., downhill simplex method and clonal selection method. The unknown single-particle energies of the states 2s1/2, 1d3/2, and 0h11/2are used in the fitting methods to obtain better spectra of the104,106,108,110 Sn isotopes. We compare the energy spectra of the104,106,108,110 Sn and103,105,107,109 Sn isotopes with/without a nonlinear fit to the experimental results.     

First Electroanalytical Methodology for the Determination of Hordenine in Dietary Supplements using a Boron‐doped Diamond Electrode

The present work describes the first electrochemical investigation and a simple, rapid and modification‐free electroanalytical methodology for quantification of hordenine (a potent phenylethylamine alkaloid) using a boron‐doped diamond electrode. At optimized square‐wave voltammetric parameters, the observed oxidation peak current in 0.1 M HClO₄ at +1.33 V (vs. Ag/AgCl) increased linearly from 5.0 to 100 μg mL^?1 (3.0×10^?5–6.1×10^?4 M), with detection limit of 1.3 μg mL^?1 (7.8×10^?6 M). The applicability of the developed method was tested with the determination of hordenine in the commercial dietary supplement formulations.     

Synthesis of monodisperse iron oxide nanocrystals by thermal decomposition of iron carboxylate salts

Iron oxide (Fe(3)O(4), magnetite) nanocrystals of 6 to 30 nm with narrow size distributions (sigma = 5-10%) were prepared by the pyrolysis of iron carboxylate salts.     

Bilirubin Removal from Human Plasma with Albumin Immobilised Magnetic Poly(2‐hydroxyethyl methacrylate) Beads

Bioaffinity separation has a unique and powerful role as a support tool in the removal of toxic substances from human plasma. Magnetic beads have advantages as supports in comparison to conventional nonmagnetic beads because of low pressure drop, high mass transfer rates, and good fluid‐solid contact. In addition, they eliminate internal diffusion limitations. Human serum albumin (HSA) immobilised onto magnetic poly(2‐hydroxyethyl methacrylate) (mPHEMA) beads were investigated as an adsorbent for the selective bilirubin removal from human plasma. The mPHEMA beads were prepared by a modified suspension polymerisation. HSA was covalently coupled to the mPHEMA beads. Bilirubin adsorption was investigated from hyperbilirubinemic human plasma on the mPHEMA beads containing different amounts of immobilised HSA, (between 11–100 mg/g). The nonspecific bilirubin adsorption on the unmodified mPHEMA beads was 0.47 mg/g. Higher bilirubin adsorption capacities, up to 64.7 mg/g, were obtained with the HSA‐immobilised magnetic beads. Bilirubin adsorption increased with increasing temperature.

Effect of HSA loading on bilirubin adsorption.     

Synthesis and spectroscopic properties of new 5-oxazolone derivatives containing an N-phenyl-aza-15-crown-5 moiety

Novel 5-oxazolone derivatives containing an N-phenyl-aza-15-crown-5 moiety were synthesized for the first time. The structures of the new derivatives were confirmed by ¹H NMR, ¹³C NMR and FT-IR. In addition, evaluation of the visible absorption and emission properties of the structures were carried out in eight different solvents. The products show intense visible absorption maxima in the range 467-524 nm, and fluoresced strongly, with emission maxima from 496 to 689 nm in all the solvents tested.