Bioactive Small Molecules Having a Fatty Residue. Part VI: Synthesis,Cytotoxicity Evaluation,and Molecular Docking Studies of New Pyrimidine Derivatives as Antitumor Agents

Russian Journal of Organic Chemistry - Difficultly accessible pyrimidine, thiazolopyrimidine, triazolopyrimidine, and thiazinopyrimidine derivatives containing an oleyl residue were synthesized via...     

Effect of the thickness of the gas-sensitive layer on the response of solid state electrochemical CO2 sensors

This paper reports the effect of the sensitive layer thickness on the response of Nasicon based electrochemical CO₂ sensors. It was found that: (a) the cell voltage dependence on the thickness of the thin film Na₂CO₃ auxiliary electrode is well described within the theory of Schottky barriers formation in ionic crystals; and (b) sensors with relatively thick gas-sensitive layer are more reliable in dry CO₂ atmosphere.     

Effect of Ag addition on crystallization kinetics and thermal stability of As–Se chalcogenide glasses

Chalcogenide glasses of (As₅₀Se₅₀)_100?xAg_x (0 ≤ x ≤ 25) were prepared using the melt quenching technique under non-isothermal conditions. Differential scanning calorimetry curves measured at different heating rates (5 ≤ β ≤ 40 K min^?1) are used to characterize the as-quenched samples. The thermal stability was monitored through the calculation of the temperature difference T _c ? T _g, stability parameter S and crystallization rate factor K _p. The glass-forming ability (GFA) was investigated on the basis of Hurby parameter H _r which is a strong indicator of GFA. In addition, the activation energy of glass transition E _t, activation energy of crystallization E _c and Avrami exponent n of the studied compositions were determined. The mechanism of crystallization was found to be a combination of two- and three-dimensional crystal growth.     

Electrical conductivity of (Ag2S)x-(GeS2)1-x glasses

We clearly demonstrate, on the basis of experimental measurements of the electrical conductivity of (Ag₂S) _x -(GeS₂)_1-x glasses, that the power-law behaviour of the polarization ac conductivity, _ac=A ^s , can be used. The exponents, in this case, should be considered as a function of temperature and frequency. Moreover, the parameters depends on details of the structure, i.e., the nature of disorder.     

Lactic acid production from cheese whey by immobilized bacteria

The performance of immobilized Bifidobacterium longum in sodium alginate beads and on a spiral-sheet bioreactor for the production of lactic acid from cheese whey was evaluated. Lactose utilization and lactic acid yield of B. longum were compared with those of Lactobacillus helveticus. B. longum immobilized in sodium alginate beads showed better performance in lactose utilization and lactic acid yield than L. helveticus. In the spiral-sheet bioreactor, a lactose conversion ratio of 79% and lactic acid yield of 0.84 g of lactic acid/g of lactose utilized were obtained during the first run with the immobilized L. helveticus. A lactose conversion ratio of 69% and lactic acid yield of 0.51 g of lactic acid/g of lactose utilized were obtained during the first run with immobilized B. longum in the spiral-sheet bioreactor. In producing lactic acid L. helveticus performed better when using the Spiral Sheet Bioreactor and B. longum showed better performance with gel bead immobilization. Because B. longum is a very promising new bacterium for lactic acid production from cheese whey, its optimum fermentation conditions such as pH and metabolic pathway need to be studied further. The ultrafiltration tests have shown that 94% of the cell and cheese whey proteins were retained by membranes with a mol wt cutoff of 5 and 20 KDa.     

An experimental and theoretical evaluation of the reactions of silver hyponitrite with phosphorus halides. In search of the elusive phosphorus-containing hyponitrites

In the reaction of F2PBr, F2P(O)Br, (C6F5)2PBr, (CH3)2P(S)Br, and (CH3)2P(O)Cl with silver hyponitrite (AgON=NOAg), nitrous oxide (N2O) and mu-oxo phosphorus species were obtained in all cases rather than the plausible hyponitrite alternative. Theoretical calculations of the geometries and expected decomposition pathways of the phosphorus-containing hypothetical hyponitrites were carried out at the B3LYP/6-311+G(2df)//B3LYP/6-31+G(d) level. The cis-hyponitrite, XON=NOX (X=PF2, OPF2), is predicted to concertedly decompose to N2 plus phosphorus-containing radicals (OPF2, O2PF2) or to N2O plus the mu-oxo phosphorus species, X-O-X, (X=PF2, OPF2) with the former pathway having a smaller activation barrier (4.6 kcal/mol, X=PF2; 10.5 kcal/mol, X=OPF2). On the other hand, trans-hyponitrite can only decompose to N2 plus the phosphorus-containing radicals, because there is a very high barrier for rearrangement to cis-hyponitrite. These results are in disagreement with experiment, because only the mu-oxo phosphorus species are observed. Reconciliation between experiment and theory is made for X=OPF2 when a silver cation is included in the calculations. In THF (as a model for neat F2P(O)Br), the silver cation is predicted to reverse the order of the two transition states through stronger interactions with the oxygen atoms in the transition state of the N2O-producing pathway. Thus, Ag(I) is predicted to be not only catalytic for X=OPF2 but also product-specific toward the mu-oxo products.     

The use of 2,3-dichloro-5,6-dicyano-p-benzoquinone for the spectrophotometric determination of some cardiovascular drugs

Some basic cardiovascular drugs containing secondary or tertiary amino groups are determined spectrophotometrically. The method is simple and sensitive; it is based on the interaction of the drugs, as n-electron donors, with 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) as a pi-acceptor. The highly coloured radical anion exhibits maximum absorption at 460 nm. The drugs determined are pindolol, dipyridamole, hydralazine hydrochloride, quinidine sulphate, prenylamine lactate and tolazoline hydrochloride. Beer's law is obeyed for these drugs. The procedure is sensitive enough to permit unit dose assay of the individual drugs in their pharmaceutical formulations. The assay results are in accord with the pharmacopoeial assay results.     

Coordination geometries and cooperative ordering effects in copper(II) complexes with tridentate Schiff base dianions 5 E.p.r. spectra of [N-salicylidene-(R,S)-alaninato]copper(II) complexes with derivatives of imidazole and pyrazole and structure of 1-methylimidazole[N-salicylidene-(R,S)-valinato]copper(II)

1-Methylimidazole[N-salicylidene-(R,S)-valinato]copper(II) shows square-planar coordination around the Cu2+ ion, coordinated in the basal plane by O,N,O atoms from the tridentate Schiff base dianion and by N from the coordinated 1-methylimidazole. In the crystal structure, enantiomers related by an inversion centre are bound by H bonds to units with a CuCu distance of 8.039Å. Intermolecular H bonds stabilize stacking of such units, which are propagated along the [010] axis. Two such chain systems in the unit cell are related by a glide plane parallel to (010). The basal planes of two magnetically non-equivalent complexes are canted by an angle of 74.64. The shortest CuCu distance between non-parallel-aligned coordination polyhedra is 10.518Å. On the other hand, the closest CuCu spacing of parallel-orientated coordination polyhedra is 5.628Å. Hence, in the e.p.r. powder spectrum only the coupling between ferrodistortively ordered coordination polyhedra is manifested.E.p.r. and ligand field spectra of a series of [N-salicylidene-(R,S)-alaninato]copper(II) complexes with imidazole, pyrazole and some of their derivatives provide evidence for coordination geometries ranging from square-pyramidal, with various strengths of axial interaction, to square-planar. The cooperative ordering phenomena in the structure are discussed on the basis of the e.p.r. powder spectra. When the e.p.r. spectra yield crystal g values from two coupled molecular g tensors of orthorhombic symmetry, a simple model based on consistency of G parameters was developed for evaluation of the canting angle 2 between aligned coordination polyhedra and molecular g values, respectively. The data obtained from the e.p.r. powder measurements are in excellent agreement with the results of single X-ray structural studies.     

Symplectic Householder transformations for a QR-like decomposition,a geometric and algebraic approaches

The aim of this paper is to show how geometric and algebraic approaches lead us to a new symplectic elementary transformations: the 2-D symplectic Householder transformations. Their features are studied in details. Their interesting properties allow us to construct a new algorithm for computing a SR factorization. This algorithm is based only on these 2-D symplectic Householder transformations. Its new features are highlighted. The study shows that, in the symplectic case, the new algorithm is the corresponding one to the classical QR factorization algorithm, via the Householder transformations. Some numerical experiments are given.