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1.
Phys Rev E ; 100(6-1): 062504, 2019 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-31962530

RESUMO

Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body, and surface interaction strengths, the phase diagram displays four phases: swollen (coil), globule, crystal, and adsorbed. For small values of the surface interaction, we confirm the presence of swollen, globule, and crystal bulk phases. For sufficiently large values of the surface interaction, the system is in an adsorbed state, and the adsorption transition can be continuous or discontinuous, depending on the bulk phase. As such, the phase diagram contains a rich phase structure with transition surfaces that meet in multicritical lines joining in a single special multicritical point. The adsorbed phase displays two distinct regions with different characteristics, dominated by either single- or double-layer adsorbed ground states. Interestingly, we find that there is no finite-temperature phase transition between these two regions though rather a smooth crossover.

2.
Artigo em Inglês | MEDLINE | ID: mdl-23410318

RESUMO

We study by computer simulation a recently introduced generalized model of self-interacting self-avoiding trails on the square lattice that distinguishes two topologically different types of self-interaction: namely, crossings where the trail passes across itself and collisions where the lattice path visits the same site without crossing. This model generalizes the canonical interacting self-avoiding trail model of polymer collapse, which has a strongly divergent specific heat at its transition point. We confirm the recent prediction that the asymmetry does not affect the universality class for a range of asymmetry. Certainly, where the weighting of collisions outweighs that of crossings this is well supported numerically. When crossings are weighted heavily relative to collisions, the collapse transition reverts to the canonical θ-point-like behavior found in interacting self-avoiding walks.


Assuntos
Modelos Químicos , Modelos Moleculares , Modelos Estatísticos , Polímeros/química , Simulação por Computador , Conformação Molecular
3.
Phys Rev E Stat Nonlin Soft Matter Phys ; 86(1 Pt 1): 011123, 2012 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-23005384

RESUMO

Trails (bond-avoiding walks) provide an alternative lattice model of polymers to self-avoiding walks, and adding self-interaction at multiply visited sites gives a model of polymer collapse. Recently a two-dimensional model (triangular lattice) where doubly and triply visited sites are given different weights was shown to display a rich phase diagram with first- and second-order collapse separated by a multicritical point. A kinetic growth process of trails (KGTs) was conjectured to map precisely to this multicritical point. Two types of low-temperature phases, a globule phase and a maximally dense phase, were encountered. Here we investigate the collapse properties of a similar extended model of interacting lattice trails on the simple cubic lattice with separate weights for doubly and triply visited sites. Again we find first- and second-order collapse transitions dependent on the relative sizes of the doubly and triply visited energies. However, we find no evidence of a low-temperature maximally dense phase with only the globular phase in existence. Intriguingly, when the ratio of the energies is precisely that which separates the first-order from the second-order regions anomalous finite-size scaling appears. At the finite-size location of the rounded transition clear evidence exists for a first-order transition that persists in the thermodynamic limit. This location moves as the length increases, with its limit apparently at the point that maps to a KGT. However, if one fixes the temperature to sit at exactly this KGT point, then only a critical point can be deduced from the data. The resolution of this apparent contradiction lies in the breaking of crossover scaling and the difference in the shift and transition width (crossover) exponents.


Assuntos
Modelos Químicos , Modelos Estatísticos , Transição de Fase , Polímeros/química , Simulação por Computador , Conformação Molecular
4.
Phys Rev E Stat Nonlin Soft Matter Phys ; 82(3 Pt 1): 031103, 2010 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-21230021

RESUMO

We have investigated a polymer growth process on the triangular lattice where the configurations produced are self-avoiding trails. We show that the scaling behavior of this process is similar to the analogous process on the square lattice. However, while the square lattice process maps to the collapse transition of the canonical interacting self-avoiding trail (ISAT) model on that lattice, the process on the triangular lattice model does not map to the canonical equilibrium model. On the other hand, we show that the collapse transition of the canonical ISAT model on the triangular lattice behaves in a way reminiscent of the θ point of the interacting self-avoiding walk (ISAW) model, which is the standard model of polymer collapse. This implies an unusual lattice dependency of the ISAT collapse transition in two dimensions. By studying an extended ISAT model, we demonstrate that the growth process maps to a multicritical point in a larger parameter space. In this extended parameter space the collapse phase transition may be either θ-point-like (second order) or first order, and these two are separated by a multicritical point. It is this multicritical point to which the growth process maps. Furthermore, we provide evidence that in addition to the high-temperature gaslike swollen polymer phase (coil) and the low-temperature liquid-drop-like collapse phase (globule) there is also a maximally dense crystal-like phase (crystal) at low temperatures dependent on the parameter values. The multicritical point is the meeting point of these three phases. Our hypothesized phase diagram resolves the mystery of the seemingly differing behaviors of the ISAW and ISAT models in two dimensions as well as the behavior of the trail growth process.

5.
Genet Mol Res ; 1(1): 96-105, 2002 Mar 31.
Artigo em Inglês | MEDLINE | ID: mdl-14963818

RESUMO

Human alpha(1)-acid glycoprotein (AGP) or orosomucoid (ORM) is a major acute phase protein that is thought to play a crucial role in maintaining homeostasis. Human AGP is the product of a cluster of at least two adjacent genes located on HSA chromosome 9. Using a range of restriction endonucleases we have investigated DNA variation at the locus encoding the AGP genes in a group of healthy Caucasians. Polymorphisms were identified using BamHI, EcoRI, BglII, PvuII, HindIII, TaqI and MspI. Nonrandom associations were found between the BamHI, EcoRI and BglII RFLPs. The RFLPs detected with PvuII, TaqI and MspI were all located in exon 6 of both AGP genes. The duplication of an AGP gene was observed in 11% of the individuals studied and was in linkage disequilibrium with the TaqI RFLP. The identification and characterization of these polymorphisms should prove useful for other population and forensic studies.


Assuntos
DNA/análise , Orosomucoide/genética , Polimorfismo Genético/genética , População Branca/genética , Alelos , Southern Blotting , DNA/genética , Frequência do Gene , Genes Duplicados/genética , Ligação Genética , Humanos , Desequilíbrio de Ligação/genética , Linhagem
6.
Genet. mol. biol ; 25(1): 13-19, 2002. ilus, tab
Artigo em Inglês | LILACS | ID: lil-324980

RESUMO

Human alpha1-acid glycoprotein (AGP) or orosomucoid (ORM) is a major acute phase protein that is thought to play a crucial role in maintaining homeostasis. Human AGP is the product of a cluster of at least two adjacent genes located on HSA chromosome 9. Using a range of restriction endonucleases we have investigated DNA variation at the locus encoding the AGP genes in a panel of healthy Caucasians. Polymorphisms were identified using BamHI, EcoRI, BglII, PvuII, HindIII, TaqI and MspI. Non-random associations were found between the BamHI, EcoRI, BglII RFLPs. The RFLPs detected with PvuII, TaqI and MspI were all located in exon 6 of both AGP genes. The duplication of an AGP gene was observed in 11 percent of the indiviuals studied and was in linkage disequilibrium with the TaqI RFLP. The identification and characterization of these polymorphisms will prove useful for other population and forensic studies


Assuntos
Humanos , Animais , Orosomucoide , Polimorfismo Genético , Sequência de Aminoácidos , Mapeamento Cromossômico
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