Selecting a reduced suite of diagnostic ratios calculated between petroleum biomarkers and polycyclic aromatic hydrocarbons to characterize a set of crude oils

A set of 34 crude oils was analysed by GC-MS (SIM mode) and a suite of 28 diagnostic ratios (DR) calculated. They involved 18 ratios between biomarker molecules (hopanes, steranes, diasteranes and triaromatic steroids) and 10 quotients between polycyclic aromatic hydrocarbons. Three unsupervised pattern recognition techniques (i.e., principal components analysis, heatmap hierarchical cluster analysis and Kohonen neural networks) were employed to evaluate the final dataset and, thus, ascertain whether the crude oils grouped as a function of their geographical origin. In addition, an objective variable selection procedure based on Procrustes Rotation was undertaken to select a reduced set of DR that comprised for most of the information in the original data without loosing relevant information. A reduced set of four DR (namely; TA21, D2/P2, D3/P3 and B(a)F/4-Mpy) demonstrated to be sufficient to characterize the crude oils and the groups they formed.     

Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential

We propose an approach to approximate the exchange and correlation (XC) term in density functional theory. The XC potential is considered as an electrostatic potential, generated by a fictitious XC density, which is in turn a functional of the electronic density. We apply the approach to develop a correction scheme that fixes the asymptotic behavior of any approximated XC potential for finite systems. Additionally, the correction procedure gives the value of the XC derivative discontinuity; therefore, it can directly predict the fundamental gap as a ground-state property.     

Impact of perturbations on watersheds

We find that watersheds in real and artificial landscapes can be strongly affected by small, local perturbations like landslides or tectonic motions. We observe power-law scaling behavior for both the distribution of areas enclosed by the original and the displaced watershed as well as the probability density to induce, after perturbation, a change at a given distance. Scaling exponents for real and artificial landscapes are determined, where in the latter case the exponents depend linearly on the Hurst exponent of the applied fractional Brownian noise. The obtained power laws are shown to be independent on the strength of perturbation. Theoretical arguments relate our scaling laws for uncorrelated landscapes to properties of invasion percolation.     

Spatial distribution of AT- and GC-rich DNA within interphase cell nuclei of Triatoma infestans Klug

Heterochromatin bodies in single- and multichromocentered interphase cell nuclei of Triatoma infestans, a vector of Chagas disease, have been suggested to contain AT-rich DNA, based on their positive response to Q-banding and Hoechst 33248 treatment. No information exists on whether GC-rich DNA is also present in these nuclei and whether it plays a role on chromatin condensation. Considering that methodologies more precise than those previously used to determine DNA base composition in situ are currently available, and that the spatial distribution of chromatin areas differing in composition in interphase cell nuclei of different species is a matter of interest, the localization of AT- and GC-rich DNA in T. infestans nuclei is revisited here. The methodologies used included DAPI/AMD and CMA(3)/Distamycin differential staining, Feulgen-DNA image analysis following Msp I and Hpa II enzymatic digestion, 5-methylcytidine immunodetection, AgNOR response, confocal microscopy, and the 5-aza-2'-deoxycytidine (5-AZA) demethylation assay. The results identified the presence of AT-rich/GC-poor DNA in chromocenters and evenly distributed AT and GC sequences in euchromatin. A GC-rich DNA zone encircling the chromocenters was also found but it could not be associated with NOR regions. To corroborate the DNA AT-richness in T. infestans nuclei, bioinformatic analyses were also performed. Methylated cytosine was evident at some points of the chromocenters' edge in single- and multichromocentered nuclei and at the euchromatin of multichromocentered nuclei and could be transiently affected by the 5-AZA treatment. The present results suggest that in the particular case of chromocenters of the hemipteran T. infestans, cytosine methylation is not a relevant factor involved in chromatin condensation.     

Ultrastructural architecture of colonies of different morphologies produced by phenotypic switching of a clinical strain of Candida tropicalis and biofilm formation by variant phenotypes

Candida tropicalis has been identified as one of the most prevalent pathogenic yeast species of the Candida-non-albicans (CNA) group. Study of switching in C. tropicalis has not been the subject of extensive research. Therefore, we investigated switching event and characterized the ultrastructural architecture of different phenotypes and biofilm produced in a C. tropicalis clinical strain. Cells switched heritably, reversibly, and at a high frequency between four phenotypes readily distinguishable by the shape of colonies formed on agar at 25°C. SEM analysis was used to verify the architecture of whole Candida colonies at ultrastructural level. The smooth phenotype (parental phenotype) colony showed a hemispherical shape character, while the semi-smooth was characterized by the presence of shallow marginal depressions. The ring and rough phenotypes exhibited more complex architecture and were characterized by the presence of deep central and peripheral depressions areas. The biofilm-forming ability varied among the switch phenotypes. After 12h incubation, the smooth phenotype formed less biofilm compared to the other phenotypes (P<0.05). The electron microscopy analysis revealed that filamentation (pseudohyphae) was associated with ring and rough colonies. The ultrastructural analysis allowed the observation of the arrangement of individual cells within the colonies. At the deep central and peripheral depressions areas of the ring and rough colonies extracellular material was seen in different arrangements. The data presented here open new avenues to study a possible role for extracellular material in the formation and maintenance of the architecture of switch phenotypes in C. tropicalis. It is therefore essential that more strains be investigated to determine the biological significance of extracellular material in C. tropicalis phenotypic switching phenomenon.     

Constraints on torsion from the bosonic sector of Lorentz violation and magnetogenesis data

A. Kostelecky et al. [Phys. Rev. Lett. 100 (2008) 111102], have shown that there is an exceptional sensitivity of spacetime torsion components by coupling it to fermions and constraining it to Lorentz violation. They obtain new constraints on torsion components down to the level of ¹⁰⁻³¹ GeV${10}^{-31}\text{GeV}$. Yet more recently, L.C. Garcia de Andrade [Phys. Lett. B 468 (2011) 28] has shown that the photon sector of Lorentz violation (LV) Lagrangian leads to linear non-standard Maxwell equations where the magnetic field decays slower giving rise to a seed for galactic dynamos. In this paper bounds are placed on torsion based on the magnetogenesis or the origin of magnetic fields in the universe. On a coherence scale of 10 kpc, galactic magnetic fields of the order of some μG yield a torsion primordial field of the order of K⁰≈¹⁰⁻⁴⁸ GeV$K^0\approx {10}^{-48}\text{GeV}$. Just to give an idea of how tiny it is we mention that torsion limit in the Early universe yield K⁰≈¹⁰⁻³¹ GeV$K^0\approx {10}^{-31}\text{GeV}$ had been obtained by V. de Sabbata and C. Sivaram. Good limits were also obtained by B.R. Heckel et al. [Phys. Rev. D 78 (2008) 092006]. In our case the advantage from astro-particle physics point of view, is that a very small seed torsion field is enough to seed galactic dynamo. C. Sivaram limit is obtained from a massive photon electrodynamics [L.C. Garcia de Andrade, C. Sivaram, Ap. Space Sci. 209 (1993) 109] where a gauge invariant electrodynamics is used. Dynamo stars data are able to raise this value of torsion up to ¹⁰⁻³⁴ GeV${10}^{-34}\text{GeV}$ at magnetar atmosphere. From these estimates one notices that they coincide with the ones obtained by A. Kostelecky et al., the difference being basically in the method. The ones here were obtained from magnetogenesis data while theirs were obtained from the Earth laboratory data from polarised electrons. Besides here one used the torsion derivatives while A. Kostelecky et al. uses the constant axial torsion tensor. Another fundamental distinction is that we use bosonic sector of the Lagrangian while they use mainly fermionic sector coupling with torsion.     

On the zero-modified poisson model: Bayesian analysis and posterior divergence measure

In this paper we consider a Bayesian approach for the zero-modified Poisson distribution, which is recommended for fitting count data which shows any modification related to the frequency of zero. However, some loss may occur when we have the knowledge that the datasets show no modification in the zero frequency and has the necessary conditions for the assumption of a Poisson distribution, and still considers the zero-modified Poisson distribution. In this context, we propose the use of the Kullback–Leibler divergence measure to evaluate this loss. The proposed methodology was illustrated in simulated datasets, whose results were able to evaluate the losses and establish its relationship with the Kullback–Leibler divergence measure. Moreover, we exemplify the use of the methodology by considering two real datasets.     

PIXE analysis of Tillandsia usneoides for air pollution studies at an industrial zone in Central Mexico

In order to find out if there is a relation between atmospheric particulate matter composition and human health effects, metals and other elements measurement are performed. Analysis of atmospheric aerosols collected in filters is the usual method to achieve this task. Biological monitors provide an advantageous alternative way of sampling, since there is no need of special sampling devices, and accumulation time can be as long as desired. In this study, Tillandsia usneoides a reliable air pollution biological monitor that occurs naturally throughout Mexico was used to monitor air quality of Tula–Tepeji corridor at central Mexico. This area is considered critical zone because of atmosphere contaminants high concentration. Some biomonitors were transplanted from a clean environment to four sites at the Tula corridor. Plants samples were collected every two weeks from February to April 2008. PM₁₀ sampling in filters was also performed simultaneously at three locations where T. usneoides was transplanted, for a comparison. Chemical composition was determined by PIXE. Results showed that T. usneoides incorporates anthropogenic elements reaching maximal levels after 6 to 10 weeks approximately. Since results obtained with biomonitors agree with those obtained with aerosol filters, T. usneoides could be employed as a first approximation to provide insights of the atmospheric pollution level previous to a detailed study using filters.     

First report of non‐coloured flavonoids in Echium plantagineum bee pollen: differentiation of isomers by liquid chromatography/ion trap mass spectrometry

Apicultural products have been widely used in diet complements as well as in phytotherapy. Bee pollen from Echium plantagineum was analysed by high‐performance liquid chromatography/photodiode‐array detection coupled to ion trap mass spectrometry (HPLC‐PAD‐MSⁿ) with an electrospray ionisation interface. The structures have been determined by the study of the ion mass fragmentation, which characterises the interglycosidic linkage in glycosylated flavonoids and differentiates positional isomers. Twelve non‐coloured flavonoids were characterised, being kaempferol‐3‐O‐neohesperidoside the major compound, besides others in trace amounts. These include quercetin, kaempferol and isorhamnetin glycosides, with several of them being isomers. Acetylated derivatives are also described. This is the first time that non‐coloured flavonoids are reported from this pollen, with MS fragmentation proving to be most useful in the elucidation of isomeric structures. Copyright © 2010 John Wiley & Sons, Ltd.     

Synthesis of new fluorous modular chiral ligand derivatives from amino alcohols and application in enantioselective carbon–carbon bond-forming alkylation reactions

N-Trifluoracyl β-chalcogeno amides and N-perfluoracyl β-thio amide ligands were prepared by a simple and efficient reaction sequence. These new ligands were evaluated in palladium-catalyzed alkylation of rac-(E)-1,3-diphenyl-2-propenyl acetate in the presence of dimethyl malonate and an enantioselectivity of up to 99% was obtained. After catalysis, the fluorous ligand can be easily recovered by liquid–liquid extraction and reused without loss in the activity.