Biomedical subjects

A V Kityk

Publications and source records attributed to A V Kityk.

7 recordsLinked to original sources

PubMed2006

Optical absorption of methoxy and carboethoxy derivatives of 1,3-diphenyl-1H-pyrazolo[3,4-b]quinoline.

Paper deals with experimental investigations and quantum chemical calculations of the optical absorption spectra of methoxy and carboethoxy 1,3-diphenyl derivatives of the pyrazoloquinoline ([PQ]): 6-methoxy-1,3-dyphenil-[PQ], 6-methoxy-1,3-(p-methoxyphenyl)-[PQ], 6-methoxy-1-(p-methoxyphenyl)-[PQ] and 6-carboethoxy-1,3-diphenyl-[PQ]. The quantum chemical calculations are performed by means of the semiempirical quantum chemical methods (AM1 or PM3) applied to: (a) the equilibrium molecular conformation in vacuo (T=0 K); (b) the molecular dynamic (MD) trajectory (T=300 K) which includes the dynamics of a certain molecular fragment (moiety) only (fragmental MD simulations); or (c) the MD trajectory obtained for most general case within the total MD simulations at T=300 K. The results of these calculations are compared with the measured spectra of the optical absorption. The quantum chemical simulations show that the dynamics of the methoxy or carboethoxy groups practically does not influence the absorption spectrum whereas the strongest its modification (300<lambda< or =360 nm) is found to be related with dynamics of phenyl(II) [Ph2] or phenyl(II)-methoxy [Ph2-MeO] moieties which are characterized by large libration amplitudes. At the same time, the total MD reproduces evidently much better the halfwidth of most absorption bands compared to ones observed in the measured spectra. Comparing the measured and calculated spectral positions of the absorption threshold the quantum chemical method PM3 gives the best agreement for all compounds.

Absorption↗

PubMed2006

Measuring the transverse magnetization of rotating ferrofluids.

We report on measurements of the transverse magnetization of a ferrofluid rotating as a rigid body in a constant magnetic field, H0, applied perpendicular to the axis of rotation. The rotation of the fluid leads to a nonequilibrium situation, where the ferrofluid magnetization M and the magnetic field within the sample, H, are no longer parallel to each other. The off-axis magnetization perpendicular to H0 is measured as a function of both the applied magnetic field H0 and the angular frequency Omega. The latter ranges from a few hertz to frequencies well above a characteristic inverse Brownian relaxation time. Our experimental results strongly indicate that the transverse magnetization is caused only by a small fraction of the colloidal ferromagnetic particles. The effect of the polydispersity of the ferrofluid is discussed. Experimental results are compared to predictions based on several theoretical models. A single-time relaxation approach for the so-called effective field and a field-dependent Debye relaxation of M yield reasonably good shapes of the curves of transverse magnetization vs Omega. However, like the other models, they overestimate their magnitudes.

Journal Article↗

PubMed2005

Spatiotemporal characterization of interfacial Faraday waves by means of a light absorption technique.

We present measurements of the complete spatiotemporal Fourier spectrum of Faraday waves. The Faraday waves are generated at the interface of two immiscible index matched liquids of different density. By use of a light absorption technique we are able to determine the bifurcation scenario from the flat surface to the patterned state for each complex spatial and temporal Fourier component separately. The surface spectra at onset are found to be in good agreement with the predictions from the linear stability analysis. For the nonlinear state our measurements show in a direct manner how energy is transferred from lower to higher harmonics and we quantify the nonlinear coupling coefficients. Furthermore we find that the nonlinear coupling generates static components in the temporal Fourier spectrum leading thus to a contribution of a nonoscillating permanent sinusoidal deformed surface state. A comparison of hexagonal and rectangular patterns reveals that spatial resonance can give rise to a spectrum that violates the temporal resonance conditions given by the weakly nonlinear theory.

Journal Article↗

PubMed2005

Optical poling effect and optical absorption of cyan, ethylcarboxyl and tert-buthyl derivatives of 1H-pyrazolo[3,4-b]quinoline: experiment and quantum-chemical simulations.

We present here results of experimental studies and quantum-chemical simulations of optical absorption and optical poling effects performed on a new synthesized cyan, ethylcarboxyl and tert-buthyl derivatives of 1H-pyrazolo[3,4-b]quinoline incorporated into polymer matrix or dissolved in organic solutions. The efficiency of second-order optical susceptibility d vs photoinduced power density I(p) clearly saturates to certain magnitude d(eff) at sufficient power densities (I(p) > or = 1.3 GW cm(-2)). Comparing experimental data and results of semiempirical quantum-chemical simulations one can conclude that there exists generally a good correlation between the magnitude of saturated susceptibilities d(eff) and macroscopic hyperpolarizabilities for all compounds except the chromophore 1,3-dimethyl-6-cyano-[PQ] only. The discrepancy for this compound may reflect a specific contribution of surrounding polymer matrix. According to the quantum chemical analysis the methyl-containing cyan and ethylocarcoxyl derivatives reveal four/five strong absorption bands in the spectral range 200-500 nm. A substitution of the methyl groups by the phenyl group causes the substantial changes of the absorption spectra mainly in the spectral range 240-370 nm. Measured and calculated absorption spectra manifest rather good agreement mainly in the part regarding the spectral positions of the first oscillator (absorption threshold). The quantum-chemical PM3 method shows the best agreement with experiment. At the same time a considerable broadening almost of all absorption bands appears as a characteristic feature of all measured spectra. The discrepancies between the calculated and the measured spectra are attributed to electron-vibronic coupling as well as to a specific rotational dynamics of phenyl rings.

Absorption↗

PubMed2004

Optical absorption of 1H-pyrazolo[3,4-b]quinoline and its derivatives.

The results of experimental studies and quantum chemical simulations of the absorption spectra of 1H-pyrazolo[3,4-b]quinoline and its derivatives are presented. The quantum chemical calculations (semi-empirical AM1 and PM3 methods) show similarity in the absorption spectra of 1H-pyrazolo[3,4-b]quinoline and 1,3-dimethyl-1H-pyrazolo[3,4-b]quinoline which are characterized by five strong absorption bands in the spectral range 200-500 nm. A substitution of the methyl groups by at least one phenyl group causes the drastic changes of the absorption spectra mainly within the spectral range 240-370 nm. We attribute these differences to additional molecular double bonding segments C=C of the substituted phenyl groups, i.e. to pi --> pi* transitions. A comparison of measured and the calculated absorption spectra manifests quite satisfactory agreement for all compounds in the part regarding the spectral position of the first oscillator (absorption threshold). At the same time, the measured spectra demonstrate the considerable broadening practically of all absorption bands and even complete damping some of them in the case of phenyl derivatives. The experiments performed with highly and weakly polar organic solvents shows that the solvent effect on the absorption spectra is small. For this reason the discrepancies between the calculated and the measured spectra are attributed to electron-vibronic coupling as well as to rotational dynamics of phenyl rings.

Absorption↗

PubMed2003

Aging and memory effects in a clathrate.

The out-of-equilibrium low-frequency complex susceptibility of the orientational glass methanol(73%)-beta-hydroquinone-clathrate is studied using temperature-stop protocols in aging experiments. Although the material does not have a sharp glass transition aging effects including rejuvenation and memory similar to the effects in spin glasses are found at low temperatures.

Journal Article↗

PubMed2002

Phase relaxation of Faraday surface waves.

Surface waves on a liquid-air interface excited by a vertical vibration of a fluid layer (Faraday waves) are employed to investigate the phase relaxation of ideally ordered patterns. By means of a combined frequency-amplitude modulation of the excitation signal a periodic expansion and dilatation of a square wave pattern is generated, the dynamics of which is well described by a Debye relaxator. By comparison with the results of a linear theory, it is shown that the measured relaxation time allows a precise evaluation of the phase diffusion constant.

Journal Article↗