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  • 1
    Electronic Resource
    Electronic Resource
    The role of sister chromatid cohesiveness and structure in meiotic behaviour (1997)
    Springer
    Chromosoma 106 (1997), S. 422-434 
    Details
    ISSN: 1432-0886
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract. Sister chromatid cores, kinetochores and the connecting strand between sister kinetochores were differentially silver stained to analyse the behaviour of these structures during meiosis in normal and two spontaneous desynaptic individuals of Chorthippus jucundus (Orthoptera). In these desynaptic individuals most of the chromosomes appear as univalents and orient equationally in the first meiotic division. Despite this abnormal segregation pattern, the changes in chromosome structure follow the same timing as in normal individuals and seem to be strictly phase dependent. Chromosomes in the first prometaphase have associated sister kinetochores and sister chromatid cores that lie in the chromosome midline; we propose that this promotes the initial monopolar orientation of chromosomes. However, the requirements of tension for stable attachment to the spindle force the autosomal univalents to acquire amphitelic orientation. Sister kinetochores behave in a chromosome orientation-dependent manner and, in the first metaphase, they appear to be interconnected by a strand that can be detected by silver impregnation, as seen in the second metaphase of wild-type individuals. The disappearance of the sister kinetochore-connecting strand, needed for equational chromatid segregation, however, can only take place in the second meiotic division. This connecting strand is ultimately responsible for the inability of chromosomes to segregate sister chromatids in the first anaphase.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s004120050264
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  • 2
    Electronic Resource
    Electronic Resource
    Equation of state of chain molecules (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 730-736 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The formerly proposed equation of state of fused hard-sphere molecules is applied to evaluate the compressibility factor of systems of flexible chains. A fair agreement with the available Monte Carlo data is obtained. Next, the equation of state extended to mixtures is used to predict the P–V–T behavior of binary systems composed of simple hard-body chains differing in the number of atoms in molecules. Good accordance of the calculated and pseudoexperimental values—within the experimental errors of the data—is obtained. To get further experimental data for pure chain molecules and their mixtures Monte Carlo simulations were performed for the system of linear tetraatomic molecules with the site–site length l*=1 and their equimolar mixtures with hard dumbbells at several densities. Comparison of the results for the linear tetraatomics with data on the corresponding flexible chain molecule system reveals a good agreement of the data. The proposed equation of state describes adequately the behavior of both the pure fluid and mixtures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459523
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  • 3
    Electronic Resource
    Electronic Resource
    Extending Wertheim's perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 7645-7655 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Wertheim's first order thermodynamic perturbation theory (TPT1) [M. S. Wertheim, J. Chem. Phys. 87, 7323 (1987)] is extended to model the solid phase of chains whose monomers interact via a Lennard-Jones potential. Such an extension requires the free energy and contact values of the radial distribution function for the Lennard-Jones reference system in the solid phase. Computer simulations have been performed to determine the structural properties of the monomer Lennard-Jones system in the solid phase for a broad range of temperatures and densities. Computer simulations of dimer Lennard-Jones molecules in the solid phase have also been carried out. The theoretical results for the equation of state, the internal energy, and the sublimation curve of the dimer model in the solid phase are in excellent agreement with the simulation data. The extended theory is used to determine the global (solid–liquid–vapor) phase diagram of the LJ dimer model; the theoretical estimate of the triple point temperature for the LJ dimer is T*=0.653. Similarly, Wertheim's TPT1 is used to determine the global phase diagram of chains formed by up to 8 monomer units. It is found that the calculated triple point temperature is hardly affected by the chain length, and that for large chain lengths the fluid–solid equilibrium coexistence densities are virtually independent of the number of monomers in the chain when the densities are expressed in monomer units. This is in agreement with experimental indications observed in polyethylene, where both the critical and the triple point temperatures tend to finite values for large molecular weights. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1465397
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  • 4
    Electronic Resource
    Electronic Resource
    Extending Wertheim's perturbation theory to the solid phase: The freezing of the pearl-necklace model (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 10411-10418 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An extension of Wertheim's first order perturbation theory [M. S. Wertheim, J. Chem. Phys. 87, 7323 (1987)] for chain molecules in the solid phase is proposed. In particular the solid phase of a model of freely jointed chains of tangent hard spheres has been considered. The equation of state and free energies from theory are compared with simulation results obtained previously by Malanoski and Monson [A. P. Malanoski and P. A. Monson, J. Chem. Phys. 107, 6899 (1997)] for chains with up to eight monomer units. The agreement between theory and simulation is good for the densities close to the melting, and deteriorates for densities close to close-packing. We also evaluated theoretically the fluid-solid equilibrium of the pearl-necklace model and compare with simulation results. The theory reproduces reasonably well the trends observed in the simulation results. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1372329
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  • 5
    Electronic Resource
    Electronic Resource
    The virial coefficients of the pearl-necklace model (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 10398-10409 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We consider the virial coefficients of an idealized model polymer under good solvent conditions, the so-called pearl-necklace model, consisting of a fully flexible chain of m tangent hard spheres. We employ an efficient algorithm recently proposed to determine the second, third, and fourth virial coefficients of chains of up to 100 monomers. We also include some preliminary results for chains of up to 200 monomers. These results, which include the first off-lattice calculations of third and fourth virial coefficients of polymer models, are compared with predictions obtained from Wertheim's equation of state. It is shown that, despite the good agreement of Wertheim's equation of state for the compressibility factor, the predictions for the individual virial coefficients are far from satisfactory. It it shown that for the values of m considered in this work, the truncated virial expansion correctly describes the equation of state up to packing fractions of 0.25. A new equation of state which describes the low and high density regimes of the pearl-necklace model is proposed. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1322637
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  • 6
    Electronic Resource
    Electronic Resource
    Improved perturbation theory of Kihara fluids
    Amsterdam : Elsevier
    Chemical Physics Letters 185 (1991), S. 516-521 
    Details
    ISSN: 0009-2614
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0009-2614(91)80253-T
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  • 7
    Electronic Resource
    Electronic Resource
    Reaction field simulations of the vapor-liquid equilibria of dipolar fluids - Does the reaction field dielectric constant affect the coexistence properties?
    Amsterdam : Elsevier
    Chemical Physics Letters 231 (1994), S. 366-372 
    Details
    ISSN: 0009-2614
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0009-2614(94)01298-9
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  • 8
    Electronic Resource
    Electronic Resource
    Virial coefficients and equation of state of hard alkane models (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 2182-2190 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The virial coefficients up to the fifth of hard conformers of alkanes have been evaluated numerically. The conformers were selected by using the rotational isomeric state approximation. The effect of branching and length of the chain on the anisotropy of alkanes is discussed and a relation between the nonsphericity parameter α and the acentric factor ω for this kind of molecule is proposed. We modified the equation of state for tangent hard spheres first proposed by Wertheim [M. S. Wertheim, J. Chem. Phys. 87, 7323, (1987)] to allow for overlapping of the constituting hard spheres. This modified version predicts with high accuracy the virial coefficient of the hard conformers of alkanes. Moreover comparison of this equation of state with simulation results of repulsive models of n-alkanes reveals very good agreement. The effect of condensed phase effect on the conformational equilibria of n-alkanes up to n-octane is analyzed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466515
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  • 9
    Electronic Resource
    Electronic Resource
    Excess properties of mixtures of n-alkanes from perturbation theory (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 3192-3202 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Excess properties of binary mixtures of n-alkanes have been evaluated from perturbation theory. A good equation of state for the reference system mixture is combined with a simple approximation to the perturbation term and with a reasonable set of potential parameters to yield a qualitatively correct description of the trends of excess volumes and excess Gibbs energies of n-alkane mixtures without the need for any adjustable parameter. Moreover, the theory can be made quantitative by introducing two adjustable parameters for each temperature. These two parameters have a clear molecular origin and they could be removed if some of the approximations of the theory proposed here were replaced by a more rigorous evaluation. In this sense this paper is just a first step toward a fully molecular theory of excess properties of alkanes. Excess properties estimated from perturbation theory by using these two adjustable parameters are in excellent agreement with experiment and are clearly superior to those obtained from the classic FOV theory proposed by Flory, Orwoll and Vrij [J. Am. Chem. Soc. 86, 3507, 3515 (1964)]. It is our view that the theory of this work is also conceptually superior to the FOV theory, since it rests on a more rigorous molecular basis. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479599
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  • 10
    Electronic Resource
    Electronic Resource
    Critical properties of mixtures of alkanes from perturbation theory (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 3183-3191 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The critical properties of binary mixtures of linear and branched alkanes have been evaluated using perturbation theory. An accurate equation of state for the reference system is combined with a mean field treatment of the perturbation term, along with a reasonable potential model. No adjustable parameters were used either for the pure compounds or for the binary mixtures. The aim of this work is to show which features of the critical properties of alkane mixtures can be obtained from a fully molecular based theory. It is shown that the main trends of the critical properties of alkane binary mixtures can be described qualitatively by the theory. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479598
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