DFT reactivity indices in confined many-electron atoms

The density functional descriptors of chemical reactivity given by electronegativity, global hardness and softness are reported for a representative set of spherically confined atoms of IA, IIA, VA and VIIIA series in the periodic table. The atomic electrons are confined within the impenetrable spherical cavity defined by a given radius of confinement satisfying the Dirichlet boundary condition such that the electron density vanishes at the radius of confinement. With this boundary condition the non-relativistic spin-polarized Kohn-Sham equations were solved. The electronegativity in a confined atom is found to decrease as the radius of confinement is reduced suggesting that relative to the free state the atom loses its capacity to attract electrons under confined conditions. While the global hardness of a confined atom increases as the radius of confinement decreases, due to the accompanying orbital energy level crossing, it does not increase infinitely. At a certain confinement radius, the atomic global hardness is even reduced due to such crossover. General trends of the atomic softness parameter under spherically confined conditions are reported and discussed

The confined helium atom: An information–theoretic approach

In this article, we study the helium atom confined in a spherical impenetrable cavity by using informational measures. We use the Ritz variational method to obtain the energies and wave functions of the confined helium atom as a function of the cavity radius r0. As trial wave functions we use one uncorrelated function and five explicitly correlated basis sets in Hylleraas coordinates with different degrees of electronic correlation. We computed the Shannon entropy, Fisher information, Kullback–Leibler entropy, Tsallis entropy, disequilibrium and Fisher–Shannon complexity, as a function of r0. We found that these entropic measures are sensitive to electronic correlation and can be used to measure it. As expected these entropic measures are less sensitive to electron correlation in the strong confinement regime (r0 < 1 a.u.).Spanish projects PID2020-113390GB-I00 (MICIN), PY20-00082 (ERDF-Junta de Andalucía), and A-FQM-52-UGR20 (ERDF-University of Granada

Fibronectin as an adjuvant in the diagnosis of oral inflammatory myofibroblastic tumor

Inflammatory myofibroblastic tumor is a distinctive lesion composed of myofibroblastic spindle shaped cells accompanied by inflammatory infiltrate that may arise in various organs. It is believed to be a noneoplastic inflammatory condition, although this is still controversial. The recognition of inflammatory myofibroblastic tumor as an entity is important especially to avoid unnecessary surgery. A few cases have been reported in the oral cavity. This report primarily presents a case of inflammatory myofibroblastic tumor that arose in the floor of mouth of a 23-year-old woman. The proliferating spindle cells were immunoreactive for vimentin, smooth muscle actin, and muscle specific actin and negative for desmin, AE1/AE3, S-100, CD68, MyoD1 and caldesmon. In an attempt to assess the potential neoplastic nature of this lesion, immunohistochemical expression of ALK protein was performed, although no immunoreactivity was detected. Also, the presence of well differentiated myofibroblasts identified by fibronectin is discussed, as well as the importance in establishing an immunoprofile to better consolidate the diagnosis. We conclude that the study of fibronectin in case series may aid the diagnosis as well as the prediction of the tumor course

Avispa de la agalla del eucalipto, Leptocybe invasa Fischer & Lasalle (Hymenoptera: Eulophidae: Tetrastichinae), en Argentina

La “avispa de la agalla del eucalipto”, Leptocybe invasa Fischer & Lasalle (Hymenoptera: Eulophidae: Tetrastichinae) ha sido registrada en varios países como una importante plaga forestal. Su presencia en Brasil desde 2008 en híbridos de Eucalyptus, representaba una amenaza potencial de ataque para las plantaciones de la Argentina, hecho comprobado fehacientemente en 2009. Se brinda un detalle de los caracteres morfológicos de L. invasa, aspectos de su biología, distribución y daños causados en plantaciones de eucalipto.The eucalyptus "gall wasp”, Leptocybe invasa Fischer & Lasalle (Hymenoptera: Eulophidae: Tetrastichinae) has been registered in several countries as an important invasive forest pest. The presence in Brazil since 2008 on Eucalyptus hybrids of afforested areas represented a potential threat to the plantations in Argentina a fact which was confirmed in 2009. We provide details of the morphological characters of L. invasa, aspects of its biology, distribution and damage in Eucalyptus plantations.Fil: Aquino, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Naturales y Museo. División Entomología; ArgentinaFil: Botto, Eduardo Norberto. Instituto Nacional de Tecnología Agropecuaria. Centro de Investigación en Ciencias Veterinarias y Agronómicas. Instituto de Microbiología y Zoología Agrícola; ArgentinaFil: Loiacono, Marta Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Naturales y Museo. División Entomología; ArgentinaFil: Pathauer, P.. Instituto Nacional de Tecnología Agropecuaria. Centro de Investigación de Recursos Naturales. Instituto de Recursos Biológicos; Argentin

First record of Ophelimus maskelli (Ashmead) (Hymenoptera: Eulophidae) and its parasitoid, Closterocerus chamaeleon (Girault) (Hymenoptera: Eulophidae), in Argentina

Se cita por primera vez de la Argentina la presencia de la avispa galícola exótica Ophelimus maskelli (Ashmead) (Hymenoptera: Eulophidae) y su parasitoide natural, Closterocerus chamaeleon (Girault) (Hymenoptera: Eulophidae) en Eucalyptus camaldulensis de la provincia de Buenos Aires. Ophelimus maskelli es una especie invasora de origen Australiano que ha sido reportada como plaga de los eucaliptos en numerosos países de Asia, Europa y América. Closterocerus chamaleon es un parasitoide exótico cuyo potencial como biocontrolador de O. maskelli está siendo evaluado en algunos países.The Eucalyptus gall wasp Ophelimus maskelli (Ashmead) (Hymenoptera: Eulophidae) and its parasitoid, Closterocerus chamaeleon (Girault) (Hymenoptera: Eulophidae) are reported for the first time from Argentina. O. maskelli is an invasive species of Australia that has been reported as a pest of eucalypts in many countries of Asia, Europe and America. C. chamaeleon is an exotic parasitoid whose potential to control O. maskelli is being evaluated in some countries.Facultad de Ciencias Naturales y Muse

First record of Ophelimus maskelli (Ashmead) (Hymenoptera: Eulophidae) and its parasitoid, Closterocerus chamaeleon (Girault) (Hymenoptera: Eulophidae), in Argentina

Se cita por primera vez de la Argentina la presencia de la avispa galícola exótica Ophelimus maskelli (Ashmead) (Hymenoptera: Eulophidae) y su parasitoide natural, Closterocerus chamaeleon (Girault) (Hymenoptera: Eulophidae) en Eucalyptus camaldulensis de la provincia de Buenos Aires. Ophelimus maskelli es una especie invasora de origen Australiano que ha sido reportada como plaga de los eucaliptos en numerosos países de Asia, Europa y América. Closterocerus chamaleon es un parasitoide exótico cuyo potencial como biocontrolador de O. maskelli está siendo evaluado en algunos países.The Eucalyptus gall wasp Ophelimus maskelli (Ashmead) (Hymenoptera: Eulophidae) and its parasitoid, Closterocerus chamaeleon (Girault) (Hymenoptera: Eulophidae) are reported for the first time from Argentina. O. maskelli is an invasive species of Australia that has been reported as a pest of eucalypts in many countries of Asia, Europe and America. C. chamaeleon is an exotic parasitoid whose potential to control O. maskelli is being evaluated in some countries.Facultad de Ciencias Naturales y Muse

Incidence and mortality of ischemic stroke subtypes in Joinville, Brazil: a population-based study

Aims To measure the incidence and mortality rates of ischemic stroke (IS) subtypes in Joinville, Brazil. Methods All first-ever IS patients that occurred in Joinville from January 2005 to December 2006 were identified. The IS subtypes were classified by the TOAST criteria, and the patients were followed-up for one year after IS onset. Results The age-adjusted incidence per 100,000 inhabitants was 26 (17-39) for large-artery atherosclerosis (LAA), 17 (11-27) for cardioembolic (CE), 29 (20-41) for small vessel occlusion (SVO), 2 (0.6-7) for stroke of other determined etiology (OTH) and 30 (20-43) for stroke of undetermined etiology (UND). The 1-year mortality rate per 100,000 inhabitants was 5 (2-11) for LAA, 6 (3-13) for CE, 1 (0.1-6) for SVO, 0.2 (0-0.9) for OTH and 9 (4-17) for UND. Conclusion In the population of Joinville, the incidences of IS subtypes were similar to those found in other populations. These findings highlight the importance of better detection and control of atherosclerotic risk factors