Mathematical Modelling of Material Transfer to High-Density Lipoprotein (HDL) upon Triglyceride Lipolysis by Lipoprotein Lipase: Relevance to Cardioprotective Role of HDL.

High-density lipoprotein (HDL) contributes to lipolysis of triglyceride-rich lipoprotein (TGRL) by lipoprotein lipase (LPL) via acquirement of surface lipids, including free cholesterol (FC), released upon lipolysis. According to the reverse remnant-cholesterol transport (RRT) hypothesis recently developed by us, acquirement of FC by HDL is reduced at both low and extremely high HDL concentrations, potentially underlying the U-shaped relationship between HDL-cholesterol and cardiovascular disease. Mechanisms underlying impaired FC transfer however remain indeterminate.

Crystal structure of bis-[-di-aqua-bis-(phen-an-thro-line)cobalt(II)] bis-(citrato)germanate(IV) dinitrate.

The asymmetric unit of the title compound, [Co(CHN)(HO)][Ge(CHO)](NO), features two complex [(CHN)(HO)Co] cations, two NO anions as well as one centrosymmetric [(CHO)Ge] anion. Two HCit ligands (Cit = citrate, CHO) each coordinate three different oxygen atoms (hy-droxy-late, α-carboxyl-ate, β-carboxyl-ate) to the Ge atom, forming a slightly distorted octa-hedron. The coordination polyhedron of the Co atom is also octa-hedral, formed by coordination of four nitro-gen atoms from two phenanthroline mol-ecules and two water oxygen atoms.

The ab initio density functional theory applied for spin-polarized calculations.

We have performed a systematic and broad study of the performance of the ab initio OEP2-sc functional for spin-polarized systems, including the computation of ionization potentials and atomization and reaction energies of closed- and open-shell molecules. The results have revealed that, in line with other second-order methods, OEP2-sc can provide accurate results, being competitive to the orbital-optimized MP2 method. Moreover, the analysis of total and relative energies has shown that, unlike the case of double-hybrid functionals, this relatively good performance is not based on an error cancellation effect.

Effect of esters based on terpenoids and GABA on fluidity of phospholipid membranes.

The influence of esters based on gamma-aminobutyric acid (GABA) and mono-/bicyclic terpenoids on membrane structure was investigated. The mechanism of action for terpenoid esters on phospholipids of artificial membranes and lipids isolated from the rat stratum corneum was studied by fluorescence and FT-IR spectroscopy. We report here, that inclusion of monocyclic terpenoid esters in phospholipid liposomes leads to growth of excimer to monomer ratio (/) indicating a decrease of membrane microviscosity.

Synthesis and Pharmacological Properties of Novel Esters Based on Monoterpenoids and Glycine.

Esters based on mono- and bicyclic terpenoids with glycine have been synthesized via Steglich esterification and characterized by ¹H-NMR, IR, and mass spectral studies. Their analgesic and anti-inflammatory activities were investigated after transdermal delivery on models of formalin, capsaicin, and AITC-induced pain, respectively. Glycine esters of menthol and borneol exhibited higher antinociceptive action, whereas eugenol derivative significantly suppressed the development of the inflammatory process.

Subdivisions of haplogroups U and C encompass mitochondrial DNA lineages of Eneolithic-Early Bronze Age Kurgan populations of western North Pontic steppe.

Prehistoric Europe experienced a marked cultural and economic shift around 4000 years ago, when the established Neolithic agriculture-based economy was replaced by herding-pastoralist industry. In recent years new data about the genetic structure of human communities living during this transition period began to emerge. At the same time, the genetic identities of the Eneolithic and Early Bronze Age (EBA) inhabitants from a prehistoric cultural crossroad in western North Pontic steppe region remain understudied.

New and little known species of Halolaelaps (Acari: Mesostigmata: Halolaelapidae) from Ukraine.

A new species of the family Halolaelapidae (Acari: Mesostigmata), Halolaelaps euxinus sp. nov. is described from Black Sea coast.

Synthesis and Pharmacological Properties of Novel Esters Based on Monocyclic Terpenes and GABA.

Novel esters of γ-aminobutyric acid (GABA) with monocyclic terpenes were synthesized via Steglich esterification and characterized by ¹H-NMR, IR and mass spectral studies. Their anticonvulsant, analgesic and anti-inflammatory activities were evaluated by a PTZ-induced convulsion model, AITC-induced hyperalgesia and AITC-induced paw edema, respectively. All studied esters, as well as their parent terpenes, were found to produce antinociceptive effects in the AITC-induced model and attenuate acute pain more than the reference drug benzocaine after their topical application.

From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

Many metal oxide nanoparticles are able to cause persistent stress to live organisms, including humans, when discharged to the environment. To understand the mechanism of metal oxide nanoparticles' toxicity and reduce the number of experiments, the development of predictive toxicity models is important. In this study, performed on a series of nanoparticles, the comparative quantitative-structure activity relationship (nano-QSAR) analyses of their toxicity towards E.

Some aspects of formation and tribological properties of silver nanodumbbells.

Unlabelled: In this paper, metal nanodumbbells (NDs) formed by laser-induced melting of Ag nanowires (NWs) on an oxidized silicon substrate and their tribological properties are investigated. The mechanism of ND formation is proposed and illustrated with finite element method simulations. Tribological measurements consist in controllable real-time manipulation of NDs inside a scanning electron microscope (SEM) with simultaneous force registration.

A new genus and species of Schizogyniidae (Acari: Mesostigmata) associated with carabid beetles (Coleoptera: Carabidae) from Ukraine.

A new genus and species of Schizogyniidae (Acari: Mesostigmata: Celaenopsoidea), Euroschizogynium calvum gen. nov. and sp.

Mites of the superfamily Pygmephoroidea (Acari: Heterostigmata: Neopygmephoridae, Pygmephoridae) associated with Trox cadaverinus (Coleoptera: Trogidae) from the Far East of Russia, with description of a new genus and two new species.

Three species of the superfamily Pygmephoroidea (Neopygmephoridae: Pygmephoridae), phoretic on Trox cadaverinus Illiger (Coleoptera: Trogidae) are recorded from the Far East of Russia. A new genus, Troxodania Khaustov and Trach gen. nov.

Inhibition of lactophage activity by quinolinilporphyrin and its zinc compex.

The influence of free base of quinolinilporphyrin and its Zn complex on infectivity of lactophages E3, E5 and E17 has been studied. The results of our investigations show that inhibition of lactophage activity by Zn complex of quinolinilporphyrin at concentration 10 microM and 20 microM was in the range 53-62% and 65-85%, respectively. The presence of this porphyrin in nutrient medium prevents the propagation of bacteriophage infection in Lactococcus lactis, but does not affect the phage adsorption process.

Ising-like criticality derived from the theory of fluids.

It is shown that the conventional theory based on the integral equations for the correlation functions of fluid allows for a reasonable scaling analysis of the critical phenomena. The calculated critical exponents are in rather good agreement with the experimental data for real media, but some of the exponents (first of all, Fisher's exponent eta ) differ from the values predicted by the three-dimensional Ising model. The possibility to obtain Ising-like criticality from the statistical theory of fluids means that the latter does not disagree with the Kadanoff-Wilson-Fisher renormalization group approach.

One-electron states and interband optical absorption in single-wall carbon nanotubes.

Explicit expressions for the wavefunctions and dispersion equation for the band π-electrons in single-wall carbon nanotubes are obtained within the method of zero-range potentials. They are then used to investigate the absorption spectrum of polarized light caused by direct interband transitions in isolated nanotubes. It is shown that, at least, under the above approximations, circular dichroism is absent in chiral nanotubes for a light wave propagating along the tube axis.

Direct atomic absorption spectrometry determination of tin, lead, cadmium and zinc in high-purity graphite with flame furnace atomizer.

This work described methodology of Sn, Pb, Cd and Zn impurities determination in high-purity graphite at direct atomic absorption spectrometry (AAS) with flame furnace (FF) atomizer. It was evidence that quality of AAS measurements are depended from sample amount, its homogeneity, particle size, as well as calibration procedure and operation parameters of FF atomizer. Prior to analysis the method has been developed and optimized with respect to the furnace heating temperature and flame composition of FF atomizer.

[Aromatase: universal and complex enzymology].

Cytochrome P-450 aromatase (cytochrome P-450 XIXA1, EC 1.14.14.

Statistical theory of noble-gas crystals and the phenomenon of sublimation.

We propose a consistent (without any fitting parameters) statistical theory of classical noble-gas crystals with pair interaction between atoms. Using the equation for the single-particle distribution function of the statistical system, we demonstrate the existence of an infinite number of exact sum rules for the amplitudes of the space-periodic solutions. Even the first sum rule leads to the solution which turns into the exact one at the absolute zero temperature.

Investigation of anticancer activity of macrocyclic Schiff bases by means of 4D-QSAR based on simplex representation of molecular structure.

Influence of the molecular structure of macrocyclic pyridinophanes, their analogues and some other compounds on anticancer activity (Leukemia, central nervous system (CNS) cancer, prostate cancer, breast cancer, melanoma, non-small cell lung cancer, colon cancer, ovarian cancer, renal cancer) was investigated by means of a new 4D-QSAR approach based on the simplex representation of molecular structures (SiRMS). For all the investigated molecules, the 3D structural models were first created and the set of conformers (fourth dimension) was used. Each conformer was represented as a system of different simplexes (tetratomic fragments of fixed structure, chirality and symmetry).

Electrostatic interaction of charged planes in the thermal collision plasma: detailed investigation and comparison with experiment.

The spatial distribution of electrostatic potential between the metal planes in a thermal collision plasma at atmospheric pressure has been investigated. It has been shown that the potential requirement must be calculated with respect to the bulk plasma potential, which depends on the ionization equilibrium in the plasma. It has also been shown that the electrostatic perturbation in the plasma is detected only at distances of less than four screening lengths.

[Effect of paleocerebellar cortex electrical stimulation on generalized penicillin-induced seizure activity in rats].

It was shown that low-frequency electrical stimulation (ES) (10-12 Hz, 0.5 ms) of paleocerebellar cortex (nodulus, uvula) is followed by activation of spike discharges which were induced via i.p.

The analysis of structure-anticancer and antiviral activity relationships for macrocyclic pyridinophanes and their analogues on the basis of 4D QSAR models (simplex representation of molecular structure).

A new 4D-QSAR approach has been considered. For all investigated molecules the 3D structural models have been created and the set of conformers (fourth dimension) have been used. Each conformer is represented as a system of different simplexes (tetratomic fragments of fixed structure, chirality and symmetry).

Pharmacokinetics of ethanol in mice with different alcohol motivation.

We studied the pharmacokinetics of (14)C-ethanol administered in various doses and via different routes to CBA, C57Bl/6, and (CBAxC57Bl/6)F1 mice. Kinetic scheme of ethanol distribution included its elimination by enzymatic (80-90% C(0)) and exponential (10-20% C(0)) mechanisms. Ethanol pharmacokinetics did not depend on the administration route and mouse strain.