Structural properties and liquid spinodal of water confined in a hydrophobic environment

We present the results of a computer simulation study of thermodynamical properties of TIP4P water confined in a hydrophobic disordered matrix of soft spheres upon supercooling. The hydrogen bond network of water appears preserved in this hydrophobic confinement. Nonetheless a reduction in the average number of hydrogen bonds due to the geometrical constraints is observed. The liquid branch of the spinodal line is calculated from 350 K down to 210 K. The same thermodynamic scenario of the bulk is found: the spinodal curve is monotonically decreasing. The line of maximum density bends avoiding a crossing of the spinodal. There is however a shift both of the line of maximum density and of the spinodal toward higher pressures and lower temperatures with respect to bulk.Comment: 7 pages, 12 figure

Gene frequencies of BoLA-DRB3 alleles estimated through sequence-based typing (PCR-SBT) in a Holstein population of La Pampa province

El objetivo del presente estudio consistió en estimar las frecuencias alélicas del exón 2 del gen de Clase II del Sistema Principal de Histocompatibilidad BoLA-DRB3 en una población de ganado Holstein de la provincia de La Pampa. Los polimorfismos presentes en el exón 2 del gen BoLA-DRB3 se identificaron mediante la técnica de secuenciación directa (PCR-SBT). Los resultados obtenidos permitieron detectar un total de 21 alelos con un rango de frecuencia de 0,014 a 0,222. Esto resultó en una heterocigosidad esperada de 0,91. Estos resultados se compararon con los reportados para ganado Holstein de Japón, evidenciando que con la excepción del alelo BoLA-DRB3*1201, ambas poblaciones presentaron los mismo alelos mayoritarios (BoLA-DRB3*1101, *1501 y *0101). Este resultado sería consecuencia del alto nivel de homogeneidad exhibido por esta raza, debido al uso de la misma genética a nivel global.The objective of this study was to estimate allele frequencies of the BoLA-DRB3 exon 2 in a Holstein population from La Pampa province. The exon 2 polymorphisms were genotyped by sequence-based typing method (PCR-SBT). In the studied herd, a total of 21 variants were detected, ranging from 0.014 to 0.222. This resulted in an expected heterozygocity of 0.91. Obtained data were compared with those reported for Japanese Holstein population, showing that with the exception of BoLA-DRB3*1201 allele, both populations shared the same major variants (BoLA-DRB3*1101, *1501 and *0101). This result could be consequence of the high level of homogeneity present in Holstein breed, due to the use of same genetic on the whole world.Fil: Baltian, Laura Rosana. Universidad Nacional de La Pampa. Facultad de Ciencias Veterinarias; ArgentinaFil: Ripoli, María Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico CONICET- La Plata. Instituto de Genética Veterinaria "Ing. Fernando Noel Dulout". Universidad Nacional de La Plata. Facultad de Ciencias Veterinarias. Instituto de Genética Veterinaria; ArgentinaFil: Takeshima, S. N.. Riken. Viral Infectious Diseases Unit; JapónFil: Aida, Y.. Riken. Viral Infectious Diseases Unit; JapónFil: Giovambattista, Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico CONICET- La Plata. Instituto de Genética Veterinaria "Ing. Fernando Noel Dulout". Universidad Nacional de La Plata. Facultad de Ciencias Veterinarias. Instituto de Genética Veterinaria; Argentin

Directed percolation depinning models: Evolution equations

We present the microscopic equation for the growing interface with quenched noise for the model first presented by Buldyrev et al. [Phys. Rev. A 45, R8313 (1992)]. The evolution equation for the height, the mean height, and the roughness are reached in a simple way. The microscopic equation allows us to express these equations in two contributions: the contact and the local one. We compare this two contributions with the ones obtained for the Tang and Leschhorn model [Phys. Rev A 45, R8309 (1992)] by Braunstein et al. [Physica A 266, 308 (1999)]. Even when the microscopic mechanisms are quiet different in both model, the two contribution are qualitatively similar. An interesting result is that the diffusion contribution, in the Tang and Leschhorn model, and the contact one, in the Buldyrev model, leads to an increase of the roughness near the criticality.Comment: 10 pages and 4 figures. To be published in Phys. Rev.

Reply on `Comment on ``Comment on `Macroscopic Equation for the Roughness of Growing Interfaces in Quenched Disorder'' '

Reply to ``Comment on [Phys. Rev. Lett. 81, 630 (1998)]''Comment: 2 pag

Extended surfaces modulate and can catalyze hydrophobic effects

Interfaces are a most common motif in complex systems. To understand how the presence of interfaces affect hydrophobic phenomena, we use molecular simulations and theory to study hydration of solutes at interfaces. The solutes range in size from sub-nanometer to a few nanometers. The interfaces are self-assembled monolayers with a range of chemistries, from hydrophilic to hydrophobic. We show that the driving force for assembly in the vicinity of a hydrophobic surface is weaker than that in bulk water, and decreases with increasing temperature, in contrast to that in the bulk. We explain these distinct features in terms of an interplay between interfacial fluctuations and excluded volume effects---the physics encoded in Lum-Chandler-Weeks theory [J. Phys. Chem. B 103, 4570--4577 (1999)]. Our results suggest a catalytic role for hydrophobic interfaces in the unfolding of proteins, for example, in the interior of chaperonins and in amyloid formation.Comment: 22 pages, 5 figure

Fluctuations of water near extended hydrophobic and hydrophilic surfaces

We use molecular dynamics simulations of the SPC-E model of liquid water to derive probability distributions for water density fluctuations in probe volumes of different shapes and sizes, both in the bulk as well as near hydrophobic and hydrophilic surfaces. To obtain our results, we introduce a biased sampling of coarse-grained densities, which in turn biases the actual solvent density. The technique is easily combined with molecular dynamics integration algorithms. Our principal result is that the probability for density fluctuations of water near a hydrophobic surface, with or without surface-water attractions, is akin to density fluctuations at the water-vapor interface. Specifically, the probability of density depletion near the surface is significantly larger than that in bulk. In contrast, we find that the statistics of water density fluctuations near a model hydrophilic surface are similar to that in the bulk

BoLA-DRB3 genetic diversity in Highland Creole cattle from Bolivia

The genetic diversity of the BoLA‐DRB3 gene has been reported in different cattle breeds owing to its central role in the immune response. However, it is still unknown in hundreds of cattle breeds, especially native populations. Here, we studied BoLA‐DRB3 genetic diversity in Highland Creole cattle (CrAl) from Western Bolivia, raised at altitudes between 3800 and 4200 m. DNAs from 48 CrAl cattle were genotyped for BoLA‐DRB3 exon 2 alleles using polymerase chain reaction‐sequence‐based typing (PCR‐SBT). The results were compared with 1341 previously reported data from Tropical Creole cattle and other breeds raised in the region. Twenty‐three BoLA‐DRB3 alleles were identified in CrAl, including the BoLA‐DRB3*029:02 variant previously detected in other Creole cattle. Observed and expected heterozygosity were 0.87 and 0.93, respectively. Nucleotide diversity and the number of pairwise difference values were 0.078 and 19.46, respectively. The average number of nonsynonymous and synonymous substitutions were 0.037 and 0.097 for the entire BoLA‐DRB3 exon 2, and 0.129 and 0.388 for the antigen‐binding site, respectively. Venn analysis and the review of the IPD‐MHC database and the literature showed that 2 of 64 alleles were only detected in CrAl, including BoLA‐DRB3*029:01 previously reported in African cattle and *048:01 detected in Philippine cattle. Two additional alleles, BoLA‐DRB3*007:02 and *029:02, were only present in CrAl and Lowland Creole cattle. Principal Component Analysis (PCA) showed that Bolivian Creole cattle breeds were closely located but they were distant from the Colombian Hartón del Valle Creole. FST analysis showed a low degree of genetic differentiation between Highland and Lowland Bolivian Creole cattle (FST = 0.015). The present results contribute to increasing our knowledge of BoLA‐DRB3 genetic diversity in cattle breeds.Fil: Giovambattista, Guillermo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico CONICET- La Plata. Instituto de Genética Veterinaria "Ing. Fernando Noel Dulout". Universidad Nacional de La Plata. Facultad de Ciencias Veterinarias. Instituto de Genética Veterinaria; ArgentinaFil: Takeshima, Shin Nosuke. Jumonji University; JapónFil: Moe, Kyaw Kyaw. University of Veterinary Science; BirmaniaFil: Pereira Rico, Juan A.. Universidad Autonoma Gabriel Rene Moreno; BoliviaFil: Polat, Meripet. Viral Infectious Diseases Unit; JapónFil: Loza Vega, Ariel. Universidad Autonoma Gabriel Rene Moreno; BoliviaFil: Arce Cabrera, Orlando N.. Universidad Técnica de Oruro; BoliviaFil: Aida, Yoko. Viral Infectious Diseases Unit; Japó