The problem of controlling isomerization in classical ensembles of small polyatomic non-rigid mol... more The problem of controlling isomerization in classical ensembles of small polyatomic non-rigid molecules is studied and analyzed. We use the LiNC/LiCN molecular system as a working example. Two methods of control of isomerization in the classical ensemble of LiNC/LiCN molecular system based on control of full energy and on changing of a minimum energy path profile and of configuration of potential energy surface for certain "representative" molecule are described and analyzed by computer simulation for classical canonical ensemble. Both control algorithms are designed using speed-gradient principle. Problems of "representative" molecule selection and of control efficiency estimation are discussed. It is shown that designed control algorithms are rather efficient (approximately 2 times more efficient than intensive equilibrium heating).
Low resolution features in the spectra of classically chaotic atomic and molecular systems are kn... more Low resolution features in the spectra of classically chaotic atomic and molecular systems are known to be related to recurrences induced by classical periodic motions. In this paper we study how such characteristics reveal in the LiNC/LiCN isomerizing molecular system, and describe how the transition from regularity to classical chaos that takes place in this system shows up at quantum level in the structure of the corresponding wavefunctions in the form of “scars”. To this end we use some projection techniques, based on the propagation of wave packets, which have been developed in our laboratory. In this way some regions at the border of the chaotic region can be detected, in which the systematics of “scar” formation can be studied at a very elementary level, without complications due to the high level density which are customarily used in this type of studies in order to achieve the semiclassical limit.
Allopolyploidy is known to induce novel patterns of gene expression and often gives rise to new p... more Allopolyploidy is known to induce novel patterns of gene expression and often gives rise to new phenotypes. Here we report on the first attempt to relate phenotypic inheritance in an allotetraploid somatic hybrid with gene expression. Carotenoid compounds in the fruit pulp of the two parental species and the hybrid were evaluated quantitatively by HPLC. Only very low levels of β-carotene and β-cryptoxanthin were observed in Citrus limon, while β-cryptoxanthin was a major component of C. reticulata, which also displayed high levels of phytoene, phytofluene, β-carotene, lutein, zeaxantin and violaxanthin. Total carotenoid content in mandarin juice sacs was 60 times greater than that in lemon. The allotetraploid hybrid produced all the same compounds as mandarin but at very low levels. Transgressive concentration of abscisic acid (ABA) was observed in the somatic hybrid. Real-time RT-PCR of total RNA from juice sacs was used to study expression of seven genes (CitDxs, CitPsy, CitPds, CitZds, CitLcy-b, CitChx-b, and CitZep) of the carotenoid biosynthetic pathway and two genes (CitNced1 and CitNced2) involved in abscisic acid synthesis from carotenoid. Gene expression was significantly higher for mandarin than lemon for seven of the nine genes analyzed. Lemon under expression was partially dominant in the somatic hybrid for three upstream steps of the biosynthetic pathway, particularly for CitDxs. Transgressive over expression was observed for the two CitNced genes. A limitation of the upstream steps of the pathway and a downstream higher consumption of carotenoids may explain the phenotype of the somatic hybrid.
We investigate some recent measurements of Fermi--Dirac correlations by the LEP collaborations in... more We investigate some recent measurements of Fermi--Dirac correlations by the LEP collaborations indicating surprisingly small source radii for the production of baryons in $e^+e^-$-annihilation at the $Z^0$ peak. In the hadronization models there are besides the Fermi--Dirac correlation effect also a strong dynamical (anti-)correlation. We demonstrate that the extraction of the pure FD effect is highly dependent on a realistic Monte Carlo event generator, both for separation of those dynamical correlations which are not related to Fermi--Dirac statistics, and for corrections of the data and background subtractions. Although the model can be tuned to well reproduce single particle distributions, there are large model-uncertainties when it comes to correlations between identical baryons. We therefore, unfortunately, have to conclude that it is at present not possible to make any firm conclusion about the source radii relevant for baryon production at LEP.
The problem of controlling isomerization in classical ensembles of small polyatomic non-rigid mol... more The problem of controlling isomerization in classical ensembles of small polyatomic non-rigid molecules is studied and analyzed. We use the LiNC/LiCN molecular system as a working example. Two methods of control of isomerization in the classical ensemble of LiNC/LiCN molecular system based on control of full energy and on changing of a minimum energy path profile and of configuration of potential energy surface for certain "representative" molecule are described and analyzed by computer simulation for classical canonical ensemble. Both control algorithms are designed using speed-gradient principle. Problems of "representative" molecule selection and of control efficiency estimation are discussed. It is shown that designed control algorithms are rather efficient (approximately 2 times more efficient than intensive equilibrium heating).
Low resolution features in the spectra of classically chaotic atomic and molecular systems are kn... more Low resolution features in the spectra of classically chaotic atomic and molecular systems are known to be related to recurrences induced by classical periodic motions. In this paper we study how such characteristics reveal in the LiNC/LiCN isomerizing molecular system, and describe how the transition from regularity to classical chaos that takes place in this system shows up at quantum level in the structure of the corresponding wavefunctions in the form of “scars”. To this end we use some projection techniques, based on the propagation of wave packets, which have been developed in our laboratory. In this way some regions at the border of the chaotic region can be detected, in which the systematics of “scar” formation can be studied at a very elementary level, without complications due to the high level density which are customarily used in this type of studies in order to achieve the semiclassical limit.
Allopolyploidy is known to induce novel patterns of gene expression and often gives rise to new p... more Allopolyploidy is known to induce novel patterns of gene expression and often gives rise to new phenotypes. Here we report on the first attempt to relate phenotypic inheritance in an allotetraploid somatic hybrid with gene expression. Carotenoid compounds in the fruit pulp of the two parental species and the hybrid were evaluated quantitatively by HPLC. Only very low levels of β-carotene and β-cryptoxanthin were observed in Citrus limon, while β-cryptoxanthin was a major component of C. reticulata, which also displayed high levels of phytoene, phytofluene, β-carotene, lutein, zeaxantin and violaxanthin. Total carotenoid content in mandarin juice sacs was 60 times greater than that in lemon. The allotetraploid hybrid produced all the same compounds as mandarin but at very low levels. Transgressive concentration of abscisic acid (ABA) was observed in the somatic hybrid. Real-time RT-PCR of total RNA from juice sacs was used to study expression of seven genes (CitDxs, CitPsy, CitPds, CitZds, CitLcy-b, CitChx-b, and CitZep) of the carotenoid biosynthetic pathway and two genes (CitNced1 and CitNced2) involved in abscisic acid synthesis from carotenoid. Gene expression was significantly higher for mandarin than lemon for seven of the nine genes analyzed. Lemon under expression was partially dominant in the somatic hybrid for three upstream steps of the biosynthetic pathway, particularly for CitDxs. Transgressive over expression was observed for the two CitNced genes. A limitation of the upstream steps of the pathway and a downstream higher consumption of carotenoids may explain the phenotype of the somatic hybrid.
We investigate some recent measurements of Fermi--Dirac correlations by the LEP collaborations in... more We investigate some recent measurements of Fermi--Dirac correlations by the LEP collaborations indicating surprisingly small source radii for the production of baryons in $e^+e^-$-annihilation at the $Z^0$ peak. In the hadronization models there are besides the Fermi--Dirac correlation effect also a strong dynamical (anti-)correlation. We demonstrate that the extraction of the pure FD effect is highly dependent on a realistic Monte Carlo event generator, both for separation of those dynamical correlations which are not related to Fermi--Dirac statistics, and for corrections of the data and background subtractions. Although the model can be tuned to well reproduce single particle distributions, there are large model-uncertainties when it comes to correlations between identical baryons. We therefore, unfortunately, have to conclude that it is at present not possible to make any firm conclusion about the source radii relevant for baryon production at LEP.
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