Recent developments in molecular graphics: visualization of chemical structures and properties

As three-dimensional models of chemical objects are essential tools for understanding their intimate structure and function, nowadays molecular graphics techniques allow building, visualizing, and manipulating, of complex molecular structures and their related properties. This paper presents several developments recently achieved in this field, namely: the representation of macromolecular structures such as proteins; the modelization of molecular envelopes as dot surfaces, mesh surfaces, and solid models; the evaluation and visualization of color-coded reactivity indices based on intermolecular interaction energies. The last application is shown to be particularly useful in several applications, such as molecular recognition and drug design.     

A cryogenic open-cavity sapphire reference oscillator with low spurious mode density

In this paper, we describe the implementation of a microwave cryogenic sapphire oscillator (CSO) at the Laboratoire de Physique et Métrologie des Oscillateurs. In our realization we solved the problem of the spurious modes by operating the sapphire resonator in an open cavity. The CSO compared to a hydrogen maser demonstrates a frequency stability better than 3 x 10(-14) at short term. Its long-term frequency instability of the order of 3 x 10(-12)/day is limited by a random walk process. A first attempt to use this reference oscillator to characterize other signal sources is presented.     

Whispering-gallery mode technique applied to the measurement of the dielectric properties of Langasite between 4 K and 300 K

We report new measurements of dielectric properties of Lanthanum gallium silicate (Langasite or LGS) conducted with the whispering-gallery mode technique at microwave frequencies and between 4.2 K and 300 K. The real part of the permittivity tensor of LGS presents two components having temperature coefficients of opposite sign. This unique property enables the design of a temperature compensated resonator that may be useful in building stable microwave oscillators or filters. We report also the first measurements of the two independent components of the imaginary part of the permittivity tensor. It appears LGS is a relatively high-loss dielectric material compared with sapphire or quartz.     

The effect of size on the strength of coarse rock aggregates and large rockfill samples through experimental data

Testing the mechanical response of coarse granular materials requires very large and expensive laboratory equipments. During the 1960s, pioneering experimental programs were carried out on several rockfill dam materials, and those results are still a reference for engineers and researchers. However, only few experimental works have been reported to this day, and due to the scarcity of empirical data, the role of the size effect caused by grain crushing is not well known. To improve understanding of this rarely studied issue and the influence of individual particle strength, this paper analyzes the size effect on rock aggregate crushing strength and its connection with the shear envelope of rockfills. The suitability of the 4-parameter Weibull equation to describe size effects on the crushing strength reported in the literature is discussed. Furthermore, a Weibull statistical analysis was carried out for a wide number of experimental results on rock aggregates, where it has been observed that strength decreases with particle size. In parallel, the results of large triaxial tests on homothetic scaled rockfill samples of 250 and 1,000 mm in diameter reveal that the coarser the material, the higher the amount of grain breakage and the lower the shear strength. The impact of size effects obtained from the experiments is analyzed and discussed in terms of the factor of safety of rockfill slope stability. Furthermore, the results are compared with the only existing theoretical method that links the rock aggregate with the strength of the granular assembly. Good agreement between the empirical results and this theoretical method has been confirmed.     

Campylobacter contamination of broiler caeca and carcasses at the slaughterhouse and correlation with Salmonella contamination

In order to estimate the prevalence of Campylobacter spp. and Salmonella spp. on broiler chicken carcasses and the prevalence of Campylobacter spp. in caeca, 58 French slaughterhouses were investigated in 2008. Enumeration of Campylobacter spp. was also performed in order to study the relation between caeca and carcass contamination. A pool of 10 caeca and one carcass were collected from 425 different batches over a 12-month period in 2008. Salmonella was isolated on 32 carcasses leading to a prevalence of 7.5% ([5.0-10.0]_95%CI). The prevalence of Campylobacter was 77.2% ([73.2-81.2]_95%CI) in caeca and 87.5% ([84.4-90.7]_95%CI) on carcasses. No significant correlation was found between Campylobacter and Salmonella. Positive values of Campylobacter were normally distributed and the average level was 8.05 log₁₀ cfu/g ([7.94-8.16]_95%CI) in caeca and 2.39 cfu/g ([2.30-2.48]_95%CI) on carcasses. A positive correlation (r = 0.59) was found between the mean of Campylobacter in caeca and on carcasses (p < 0.001). Thus, carcasses from batches with Campylobacter-positive caeca had significantly (p < 0.001) higher numbers of Campylobacter per gram than batches with negative caeca. These results show that Campylobacter can be present in both matrices and reduction in caeca could be a possible way to reduce the amount of bacteria on carcasses. Of the 2504 identifications performed, 3 species of Campylobacter (Campylobacter jejuni, Campylobacter coli and Campylobacter lari) were identified. The main species recovered were C. jejuni and C. coli, which were isolated in 55.3% and 44.5% of positive samples, respectively. These two species were equally represented in caeca but C. jejuni was the most frequently isolated on carcasses with 57.1% and 42.5% of positive carcasses for C. jejuni and C. coli, respectively. This study underlines that target a reduction of Campylobacter on final products requires a decrease of contamination in caeca.