Effective pair potentials and structure of water

Classical Monte Carlo calculations have been performed in order to investigate the ability of the TIP4P, SPC, and SPCE water models to reproduce the structural features of liquid water. The simulations were carried out in the NPT ensemble at 4 thermodynamic conditions. The results are compared with recent neutron diffraction data. Essentially, the three models capture equally well the thermodynamic and structural features of water. Although they were parametrized to reproduce the water properties at ambient conditions, the agreement with the experimental pair correlation functions was even better at supercritical conditions. This is because the effective pair potentials have some difficulty to reproduce cooperative interactions, like hydrogen bonds. These interactions are less effective at supercritical conditions, where the liquid behaves roughly like a gas.

Adsorption and structure of copper(II) complexes on a silica gel surface chemically modified with 2-aminothiazole

The isotherms of adsorption of CuX2 (X=Cl-, Br-, ClO- 4) by silica gel chemically modified with 2-aminothiazole were studied in acetone and EtOH solutions, at 25°C. The 2-aminothiazole molecule, covalently bond to the silica gel surface, adsorbs CuX2 from solvent by forming a surface complex. At low loading, the electronic and E.S.R. spectral parameters indicate that the Cu2+ complexes have a distorted tetragonal symmetry. The d-d eletronic transition spectra show that for ClO- 4 complex, the peak of absorption do not change for any degree of metal loading whilst for Cl- and Br- complexes, the peak maxima shift to higher energy with lower metal loading. © Elsevier Science Ltd.

Strangeness content and structure function of the nucleon in a statistical quark model

The strangeness content of the nucleon is determined from a statistical model using confined quark levels, and is shown to have a good agreement with the corresponding values extracted from experimental data. The quark levels are generated in a Dirac equation that uses a linear confining potential (scalar plus vector). With the requirement that the result for the Gottfried sum rule violation, given by the New Muon Collaboration (NMC), is well reproduced, we also obtain the difference between the structure functions of the proton and neutron, and the corresponding sea quark contributions.

The sugar cane vegetal residues unloaded in the sugar mill: Operational costs and physical characteristics

Brazil produced in 2002/03 season 317.87×106tons of sugar cane stalks and 36.88×106tons of vegetal residues (green leaves, dry leaves and tops) in a planted area of 4.61×106 hectares (ha). These residues have a useful heat of 3,613.14Mcal.t-1. Currently most of this biomass is burned as a pre-harvest practice. The doubt persists in the system type that it must be adopted to pick up, load, transport and unload this biomass at the sugar mill boilers. This study analyzed 22 variables related to operational costs and physical characteristics of these residues in a field situation using a JOHN DEERE® 6850 forage harvester with two different treatments: T1 and T2 (two types of rakes) with 6 repetitions each one. The geographic location of the studied area that belongs to COSTA PINTO MILL (COSAN® Group) is: Latitude 22°40'30S and Longitude 47°36'38W. The adopted methodology was proposed by Ripoli et al. (2002). The obtained results at a 5% level of significance showed that both treatments did not differed significantly between them. Some of the results were, where EBP stands for Oil Equivalent Barrel: Windrowing (T1=US$0.17.EBP-1 and US$9.59.ha-1, T2=US$0.08.EBP-1 and US$4.27.ha-1); Pick up (T1=US$1.31.EBP-1 and US$44.29.ha-1, T2 =US$1.37.EBP-1 and US$48.36.ha-1); Transportation (T1=US$1.27.EBP-1 and US$14,30.ha -1, T2=US$1.33.EBP-1 and US$14,80.ha -1), Unloading at the sugar mill (T1=US$0.30.EBP-1 and US$3.39.ha-1, T2=US$0.32.EBP-1 and US$3.51.ha-1); Total (T1=US$3.05.EBP-1 and US$71.57.ha-1, T2=US$3.10.EBP-1 and US$70.94.ha-1). Confronting the obtained data with the ones in the bibliography, this system revealed itself more expensive than the baling system or the integral harvest system using combines.

Lead-cadmium fluorogermanate glasses and transparent glassceramics. Spectroscopy and structure

In Lead-cadmium fluorogermanate glasses (PbF2-CdF 2-PbGeO3) the addition of metal fluorides to the base PbGeO3 glass leads to a decrease of the glass transition temperature (Tg) and to an enhancement of the ionic conductivity properties. Based on different spectroscopic techniques (19F NMR, Ge K-edge X-ryas absorption and Raman scattering) an heterogeneous glass structure is proposed at the molecular scale, which can be described by fluoride rich regions permeating the metagermanate chains. The temperature dependence of the 19F NMR lineshapes and relaxation times exhibits the qualitative and quantitative features associated with the high fluoride mobility in these systems. Eu 3+ emission and vibronic spectra are used to follow the crystallization process leading to transparent glass ceramics.

Chromosomal evolution of neotropical cichlids: The role of repetitive DNA sequences in the organization and structure of karyotype

Cichlids are important in the aquaculture and ornamental fish trade and are considered models for evolutionary biology. However, most studies of cichlids have investigated African species, and the South American cichlids remain poorly characterized. Studies in neotropical regions have focused almost exclusively on classical cytogenetic approaches without investigating physical chromosomal mapping of specific sequences. The aim of the present study is to investigate the genomic organization of species belonging to different tribes of the subfamily Cichlinae (Cichla monoculus, Astronotus ocellatus, Geophagus proximus, Acaronia nassa, Bujurquina peregrinabunda, Hoplarchus psittacus, Hypselecara coryphaenoides, Hypselecara temporalis, Caquetaia spectabilis, Uaru amphiacanthoides, Pterophyllum leopoldi, Pterophyllum scalare, and Symphysodon discus) and reexamine the karyotypic evolutionary patterns proposed for this group. Variations in some cytogenetic markers were observed, although no trends were found in terms of the increase, decrease, or maintenance of the basal diploid chromosome number 2n = 48 in the tribes. Several species were observed to have 18S rDNA genetic duplications, as well as multiple rDNA loci. In most of the taxa analyzed, the 5S rDNA was located in the interstitial region of a pair of homologous chromosomes, although variations from this pattern were observed. Interstitial telomere sites were also observed and appear to be involved in chromosomal rearrangement events and the accumulation of repeat-rich satellite DNA sequences. Our data demonstrated the karyotypic diversity that exists among neotropical cichlids, suggesting that most of this diversity is due to the repetitive sequences present in heterochromatic regions and that repeat sequences have greatly influenced the karyotypic evolution of these fishes. © 2012 Springer Science+Business Media B.V.

Silver colloidal nanoparticles: Effect on matrix composition and structure of Candida albicans and Candida glabrata biofilms

Aim: The aim of this study was to assess the effect of different silver nanoparticles (SN) concentrations on the matrix composition and structure of Candida albicans and Candida glabrata biofilms. Methods and Results: Candida biofilms were developed in 6-well microtiter plates during 48 h. After, these biofilms were exposed to 13·5 or 54 μg SN ml-1 for 24 h. Then, extracellular matrices were extracted from biofilms and analysed chemically in terms of proteins, carbohydrates and DNA. To investigate the biofilm structure, scanning electron microscopy (SEM) and epifluorescence microscopy were used. SN interfered with the matrix composition of Candida biofilms tested in terms of protein, carbohydrate and DNA, except for the protein content of C. albicans biofilm. By SEM, Candida biofilms treated with SN revealed structural differences, when compared with the control groups. Further, SN showed a trend of agglomeration within the biofilms. Epifluorescence microscopy images suggest that SN induced damage on cell walls of the Candida isolates tested. Conclusions: In general, irrespective of concentration, SN affected the matrix composition and structure of Candida biofilms and these findings may be related to the mechanisms of biocide action of SN. Significance and Impact of the Study: This study reveals new insights about the behaviour of SN when in contact with Candida biofilms. SN may contribute to the development of therapies to prevent or control Candida infections. © 2012 The Society for Applied Microbiology.

Ab initio protein folding simulations using atomic burials as informational intermediates between sequence and structure

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Using ecological thresholds to evaluate the costs and benefits of set-asides in a biodiversity hotspot

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The assemblage composition and structure of swimming crabs (Portunoidea) in continental shelf waters of southeastern Brazil

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Costs and benefits of reproducing under unfavorable conditions: an integrated view of ecological and physiological constraints in a cerrado shrub

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Response to comment on "Using ecological thresholds to evaluate the costs and benefits of set-asides in a biodiversity hotspot"

Finney claims that we did not include transaction costs while assessing the economic costs of a set-aside program in Brazil and that accounting for them could potentially render large payments for environmental services (PES) projects unfeasible. We agree with the need for a better understanding of transaction costs but provide evidence that they do not alter the feasibility of the set-aside scheme we proposed.

Pyrolysis, combustion and oxy-combustion studies of sugarcane industry wastes and its blends

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Electrical transport mechanisms and structure of hydrogenated and non-hydrogenated nanocrystalline Ga1-xMnxAs films

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Effects in mechanical properties and structure of the soil tillage with rotary paraplow

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)