Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes

The stability of some heterocyclic compounds derived from the condensation of succinic and glutaric anhydrides with aliphatic diamines is compared using calculated values for the total energies. Further, some results derived from the electronic population analysis and the available experimental data are used to give information about the corresponding electronic structure. The CNDO/2 and INDO methods have been used for the calculations.Publicado on line en 2014.Facultad de Ciencias Exacta

Shape Matching and Object Recognition

We approach recognition in the framework of deformable shape matching, relying on a new algorithm for finding correspondences between feature points. This algorithm sets up correspondence as an integer quadratic programming problem, where the cost function has terms based on similarity of corresponding geometric blur point descriptors as well as the geometric distortion between pairs of corresponding feature points. The algorithm handles outliers, and thus enables matching of exemplars to query images in the presence of occlusion and clutter. Given the correspondences, we estimate an aligning transform, typically a regularized thin plate spline, resulting in a dense correspondence between the two shapes. Object recognition is handled in a nearest neighbor framework where the distance between exemplar and query is the matching cost between corresponding points. We show results on two datasets. One is the Caltech 101 dataset (Li, Fergus and Perona), a challenging dataset with large intraclass variation. Our approach yields a 45 % correct classification rate in addition to localization. We also show results for localizing frontal and profile faces that are comparable to special purpose approaches tuned to faces

Host-specific transcriptomic pattern of Trichoderma virens during interaction with maize or tomato roots

BACKGROUND: Members of the fungal genus Trichoderma directly antagonize soil-borne fungal pathogens, and an increasing number of species are studied for their potential in biocontrol of plant pathogens in agriculture. Some species also colonize plant roots, promoting systemic resistance. The Trichoderma-root interaction is hosted by a wide range of plant species, including monocots and dicots. RESULTS: To test the hypothesis that gene expression by the fungal partner in this beneficial interaction is modulated by the plant, Trichoderma virens was co-cultured with maize or tomato in a hydroponic system allowing interaction with the roots. The transcriptomes for T. virens alone were compared with fungus-inoculated tomato or maize roots by hybridization on microarrays of 11645 unique oligonucleotides designed from the predicted protein-coding gene models. Transcript levels of 210 genes were modulated by interaction with roots. Almost all were up-regulated. Glycoside hydrolases and transporters were highly represented among transcripts induced by co-culture with roots. Of the genes up-regulated on either or both host plants, 35 differed significantly in their expression levels between maize and tomato. Ten of these were expressed higher in the fungus in co-culture with tomato roots than with maize. Average transcript levels for these genes ranged from 1.9 fold higher on tomato than on maize to 60.9 fold for the most tomato-specific gene. The other 25 host-specific transcripts were expressed more strongly in co-culture with maize than with tomato. Average transcript levels for these genes were 2.5 to 196 fold higher on maize than on tomato. CONCLUSIONS: Based on the relevant role of Trichoderma virens as a biological control agent this study provides a better knowledge of its crosstalk with plants in a host-specific manner. The differentially expressed genes encode proteins belonging to several functional classes including enzymes, transporters and small secreted proteins. Among them, glycoside hydrolases and transporters are highlighted by their abundance and suggest an important factor in the metabolism of host cell walls during colonization of the outer root layers. Host-specific gene expression may contribute to the ability of T. virens to colonize the roots of a wide range of plant species. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1186/s12864-014-1208-3) contains supplementary material, which is available to authorized users

The association of adverse life events and parental mental health with emotional and behavioral outcomes in young adults with autism spectrum disorder

People with autism spectrum disorder (ASD) are at increased risk of developing co-occurring mental health difficulties across the lifespan. Exposure to adverse life events and parental mental health difficulties are known risk factors for developing a range of mental health difficulties. This study investigates the association of adverse life events, parental stress and mental health with emotional and behavioral problems in young adults with ASD. One hundred and fifteen young adults with ASD derived from a population-based longitudinal study were assessed at three time-points (12-, 16-, and 23-year) on questionnaire measures of emotional and behavioral problems. Parent-reported exposure to adverse life events and parental stress/mental health were measured at age 23. We used structural equation modeling to investigate the stability of emotional and behavioral problems over time, and the association between adverse life events and parental stress and mental health and emotional and behavioral outcomes at 23-year. Our results indicate that exposure to adverse life events was significantly associated with increased emotional and behavioral problems in young adults with ASD, while controlling for symptoms in childhood and adolescence. Higher reported parental stress and mental health difficulties were associated with a higher frequency of behavioral, but not emotional problems, and did not mediate the impact of adverse life events. These results suggest that child and adolescent emotional and behavioral problems, exposure to life events and parent stress and mental health are independently associated, to differing degrees, with emotional or behavioral outcomes in early adulthood. Lay Summary: People with autism experience high rates of mental health difficulties throughout childhood and into adult life. Adverse life events and parental stress and mental health may contribute to poor mental health in adulthood. We used data at three time points (12-, 16-, and 23-year) to understand how these factors relate to symptoms at 23-year. We found that emotional and behavioral problems in childhood, adverse life events and parent mental health were all associated with increased emotional and behavioral problems in adulthood

Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes

The stability of some heterocyclic compounds derived from the condensation of succinic and glutaric anhydrides with aliphatic diamines is compared using calculated values for the total energies. Further, some results derived from the electronic population analysis and the available experimental data are used to give information about the corresponding electronic structure. The CNDO/2 and INDO methods have been used for the calculations.Publicado on line en 2014.Facultad de Ciencias Exacta