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Cooperative phenomena constitute important mechanisms to explain the magnetic properties of the perovskite manganites REMnO3, in which the rare-earth and/or Mn is partially replaced by divalent elements. In this way, the manganese ion changes its valence state (Mn3+ Mn4+), triggering strong magnetic interactions. In this work we describe the case of GdCoxMn1-xO3 (0.0 ≤ x ≤ 1.0) for which the antiferromagnetic interaction between the Gd sublattice and the Mn/Co network leads to a reversal of the magnetic moment at low temperature. No inversion is observed for the LaCoxMn1-xO3 series, in which the ordering temperature may attain a maximum of 235 K for LaCo0.50Mn0.50O3, while it is only 120 K for similar Co/Mn ratio in the case of GdCo0.50Mn0.50O3. Magnetic properties are described in terms of two regimes: one, for x < 0.5, when Co substitutes Mn in the GdMnO3 manganite and another one, for x > 0.5, when Mn substitutes Co in the GdCoO3 cobaltite, while the magnetic interactions are maximized at x(Co) = 0.50. This hypothesis is discussed in terms of the respective oxidation states of both manganese (Mn3+ / Mn4+) and cobalt (Co2+ / Co3+).El fenómeno cooperativo constituye un importante mecanismo para explicar las propiedades magnéticas de las perovskitas manganitas TRMnO3, en las que el catión de tierra rara, TR, y/o el catión Mn3+ son parcialmente reemplazados por cationes divalentes. Por esta vía el ión de manganeso cambia de estado de valencia (Mn3+ Mn4+), generando fuertes interacciones magnéticas. En el presente trabajo se describe el caso de las soluciones sólidas GdCoxMn1-xO3 (0.0 ≤ x ≤ 1.0) para las que la interacción antiferromagnética entre la subred del Gd3+ y la red Mn/Co lleva a una inversión del momento magnético a baja temperatura. No se ha observado inversión para la serie LaCoxMn1-xO3, en que la temperatura de orden puede alcanzar un máximo de 235K para LaCo0.50Mn0.50O3, mientras que en el caso de GdCo0.50Mn0.50O3, en que sí se observa inversión, la temperatura de orden es sólo de 120 K para una razón Co/Mn similar. Las propiedades magnéticas se describen en términos de dos regímenes diferentes: uno, para x < 0.5, cuando Co sustituye al Mn en la manganita GdMnO3 y otro, para x > 0.5, cuando Mn sustituye a Co en la cobaltita GdCoO3. Las interacciones magnéticas se maximizan a x(Co) = 0.50. Esta hipótesis se discute en términos de los respectivos estados de oxidación de ambos cationes: manganeso (Mn3+ / Mn4+) y cobalto (Co2+ / Co3+).

Catarina Falcão de Campos,1,2 Isabel Conceição1,2 1Department of Neurosciences and Mental Health, Centro Hospitalar Universitário de Lisboa-Norte, Lisbon, Portugal; 2Instituto de Fisiologia, Instituto de Medicina Molecular, Centro de Estudos Egas Moniz, Faculdade de Medicina, Universidade de Lisboa, Lisbon, PortugalCorrespondence: Catarina Falcão de Campos, Department of Neurosciences, Hospital de Santa Maria, Av. Professor Egas Moniz, Lisbon, 1648-028, Portugal, Tel/Fax + 351 21 780521, Email catarinahfcampos@gmail.comAbstract: Hereditary amyloid transthyretin (ATTRv) amyloidosis is a devastating hereditary multisystemic disease affecting predominantly the peripheral and autonomic nervous systems and the heart. ATTRv is caused by mutations in the transthyretin (TTR) gene, leading to extracellular deposition of amyloid fibrils in multiple organs including the peripheral nervous system. If untreated, it is associated with a fatal outcome 10– 12 years after disease onset. Different treatments are available for patients with ATTRv polyneuropathy. Tafamidis 20 mg is approved in Europe since 2011 for early stages of ATTRv polyneuropathy (stage I – able to walk without support) and it is recommended as first-line therapy in these patients. Tafamidis is a TTR stabilizer that selectively binds to TTR and kinetically stabilizes both wild-type native TTR and mutant TTR. Consequently, it has the potential to prevent the amyloidogenic cascade initiated by TTR tetramer dissociation into its monomers and subsequent misfolding and aggregation. Tafamidis is an oral drug, taken once per day, with proved efficacy, safety and tolerability in ATTRv-PN patients as demonstrated in different clinical trials and open-label extension studies as well in clinical practice setting with around 10 years of experience. Tafamidis treatment started in the earliest stages of the disease is associated with better neurological outcomes. A multidisciplinary approach in referral centres is also fundamental for monitoring patients to assess individual response to treatment.Keywords: hereditary amyloid transthyretin amyloidosis, transthyretin, tafamidis, familial amyloid polyneuropathy, amyloidosis, TTR stabilizer

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn–Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. Finally, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets. Program summary: Program title: ELSI Interface CPC Library link to program files: http://dx.doi.org/10.17632/473mbbznrs.1 Licensing provisions: BSD 3-clause Programming language: Fortran 2003, with interface to C/C++ External routines/libraries: BLACS, BLAS, BSEPACK (optional), EigenExa (optional), ELPA, FortJSON, LAPACK, libOMM, MPI, MAGMA (optional), MUMPS (optional), NTPoly, ParMETIS (optional), PETSc (optional), PEXSI, PT-SCOTCH (optional), ScaLAPACK, SLEPc (optional), SuperLU_DIST Nature of problem: Solving the electronic structure from given Hamiltonian and overlap matrices in electronic structure calculations. Solution method: ELSI provides a unified software interface to facilitate the use of various electronic structure solvers including cubic scaling dense eigensolvers, linear scaling density matrix methods, and other approaches.

Filipa Viegas, Tiago Ferreira, Cláudia Campos Mental Health Department Hospital Prof. Dr. Fernando Fonseca, Amadora, PortugalCorrespondence: Filipa Viegas, Mental Health Department Hospital Prof. Dr. Fernando Fonseca, IC-19, Amadora, 2720-276, Portugal, Tel +351 91 744 87 81, Email filipaviegas1991@gmail.comIntroduction: Cariprazine is a third-generation antipsychotic approved in Europe in 2017 for the treatment of schizophrenia. It presents distinct pharmacodynamic properties, such as D3/D2 partial agonism, preferential binding to D3 receptors, antagonism at the serotonin 5-HT2A and 5-HT2B receptors, partial agonism at 5-HT1A receptors, and low affinity to other receptors (including noradrenergic, histaminergic, and cholinergic). It has demonstrated efficacy in the treatment of positive and negative symptoms of schizophrenia with a safe side effect and metabolic profile.Methods: Here, we describe one clinical case of a patient that benefited from an add-on of cariprazine to a regimen of clozapine; and two clinical cases of patients that benefited from the switch from clozapine and paliperidone long-acting injectable to cariprazine.Results and Discussion: Those cases illustrate how cariprazine can be used in patients with schizophrenia in the treatment of both positive and negative symptoms, and when aiming to ameliorate the metabolic burden associated with other treatments. However, further studies are needed to consubstantiate those findings.Keywords: cariprazine, clozapine, paliperidone, schizophrenia, negative symptoms

Leptodactylus petersii is a species of anuran found in both terrestrial and aquatic habitats and occurs from South America to southern North America and the West Indies. Studies involving the fauna of anuran parasites offer complementary information related to ecology. Thus, since there are few studies on the natural history of this species, this research aims to analyze the diet and the presence of endoparasitic helminths of Leptodactylus petersii from the state of Amapá, Brazil. We found 10 different taxonomic categories of prey in stomach contents, with the categories Hymenoptera (Formicidae) with 32.26 % (n = 12) being the most representative. Among the 12 individuals of L. petersii that were analyzed for helminth parasites, 83.3 % were infected with at least one species of helminths allocated to Phylum Nematoda. Our results report a new occurrence site for Rhabdias breviensis, originally described for Leptodactylus petersii in the state of Pará, as well as the second report of Ortleppascaris sp. in Brazil.

Introdução/Objetivo: O Brasil é o segundo país com mais mortes por COVID-19. Aqui descrevemos características clínicas e epidemiológicas e suas associações com óbito na 1ª e 2ª onda, em um hospital terciário dedicado ao tratamento de pacientes adultos com COVID-19 em Fortaleza (Ceará). Métodos: Coorte retrospectiva de 2492 pacientes internados no Hospital Estadual Leonardo Da Vinci (HELV) com infecção confirmada por SARS-CoV-2 durante a 1ª (25/03 a 04/07/2020) e 2ª onda (01/01 a 13/04/2021). Dados foram extraídos de prontuários eletrônicos usando uma plataforma web padronizada (ResCOVID). Usamos regressão de Poisson para estimar fatores associados à mortalidade hospitalar em cada onda e o risco relativo de óbito ajustado por idade, sexo, comorbidade e marcadores à admissão hospitalar (relação SpO2/FiO2, suplementação de O2 e quick SOFA). Resultados: 1039 pacientes morreram durante a internação. Houve uma redução significativa da mortalidade durante a 2ª onda (509/1405; 36,2%) em comparação à 1ª (530/1087; 48,8%), p < 0,001. Na 2ª onda observamos uma maior proporção de pacientes: sexo feminino (43,1 x 38,6%; p = 0.024), idade mais baixa (mediana: 56 x 64 anos; p < 0,001) e portadores de obesidade (30,4 x 23,4%; p < 0.001); porém uma menor prevalência de pacientes com pelo menos uma comorbidade (70,8 x 75,5%; p = 0.009). Idade mais baixa (30-39 anos: RR 0,66 [0,46-0,95], p = 0,024) e odinofagia foram associadas à redução de risco de mortalidade durante a 1ª onda e cefaleia (RR 0,87 [0,79-0,96] na 2ª. Encontramos associação entre risco aumentado de óbito e doença neurológica crônica na 1ª onda (RR 1,16 [1,01-1,33], p = 0,035) e falência renal aguda na 2ª onda (RR 1,13 [1,04-1,23], p = 0.004). Uso de ventilação mecânica invasiva (VMI) mostrou a mais forte associação com risco de óbito (1ª onda: RR 4,28 [2,86-6,41], p < 0.001; 2ª onda: RR 12,94 [3,4-49,12, p < 0,001). 89,2% (962/1075) dos pacientes em uso de VMI faleceram. O risco relativo reduzido de óbito na 2ª onda comparada à 1ª não persistiu após ajuste. Conclusão: Coorte de pacientes com COVID-19 em um hospital terciário de referência no Nordeste brasileiro comparando 1ª e 2ª ondas evidenciou elevada mortalidade com diferenças nos fatores associados ao risco de óbito, e uso de VMI mostrou a maior associação nas duas ondas. A diferença encontrada no risco não ajustado de óbito entre as ondas não persistiu após ajuste para idade, sexo, comorbidades e marcadores de gravidade à admissão.

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