Excited state properties of an A-D-A non-fullerene electron acceptor: a LC-TD-DFTB study.

Understanding charge transfer processes is essential to estimate the performance of organic photovoltaic technologies. Although experimental production is on the rise, predictability strongly relies on theoretical modeling, which is limited to the size of semiconductors. As a computationally favorable approach, we benchmarked the long-range corrected (LC) time-dependent (TD) formulation of the semi-empirical density functional-based tight-binding method (DFTB) for three polycyclic aromatic hydrocarbons (PAHs) and studied the DTP-IC-4Ph molecule, a PAH-based non-fullerene electron acceptor (NFA) with an A-D-A backbone structure. After a thorough investigation into the long-range parameter (ω) tuning for naphthalene, anthracene and pyrene, the excitation energies, oscillator strengths and Natural Transition Orbitals (NTOs) were compared with the standard ωB97X-D/6-31G(d,p) level of theory and the ADC2/6-31G(d,p) multiconfigurational method. We estimated mobility-related properties of the NFA and considered 1000 thermally accessible configurations to qualitatively reproduce the experimental absorption profile and investigate the energetic disorder. Finally, we conducted a fragment-based analysis using the one-electron transition density matrix (1TDM) to determine the character of the excited states and investigate the effect of side chains on exciton formation. Our results are sensitive to the level of theory and highly dependent on the long-range parameter but suggest that the presence of alkyl chains promotes a higher average charge delocalization and allows for additional hopping mechanisms, favoring the charge transfer dynamics.

Tissue Lesions Due to Spirorchiid Eggs in a Loggerhead Turtle ( Caretta caretta Linnaeus 1758) from Brazil: First Report Outside of the United States.

Spirorchiids (family Spirorchiidae Stunkard 1921) are a group of flukes that inhabit the circulatory system of turtles. Infection by members of the family Spirorchiidae involves egg deposition in the host bloodstream and accumulation in tissues, which cause inflammatory reactions and embolisms, leading or contributing to the death of the host. Reports of spirorchiid egg lesions in loggerhead turtles ( Caretta caretta Linnaeus, 1758) have only been reported from U.S. hosts. In the present report a female loggerhead sea turtle was found dead on the beach in the north part of the State of Rio de Janeiro, Brazil. During gross necropsy, no parasite egg nodule was found. But the microscopic analysis revealed a mild granulomatous inflammatory process due to eggs from the family Spirorchiidae and both Langhans giant cells and foreign-body giant cells in the heart, kidneys, intestines, lungs, and spleen. The present note is the first record of tissue lesions due to spirorchiid eggs in a loggerhead sea turtle outside the United States.

Histopathological findings in lungs of hawksbill turtles collected on the coasts of the states of Espírito Santo and Rio de Janeiro, Brazil / Achados histopatológicos em pulmões de tartarugas-de-pente procedentes dos litorais dos estados do Espírito Santo e do Rio de Janeiro, Brasil

The present work aimed to report the histopathological findings verified in lungs of hawksbill turtles (Eretmochelys imbricata) retrieved from the coasts of the states of Espírito Santo and Rio de Janeiro, Brazil. Between the years 2010 and 2014, 29 E. imbricata individuals were found stranded on the coasts, already dead or dying during treatment. Lung samples of all specimens were collected during necropsies, fixed in 10% neutral buffered formalin, subjected to routine histological processing and classified histomorphologically. The findings revealed that 37.93% of the specimens presented lung lesions. Of these, 90.91% were rescued alive and 9.09% were found dead; 63.63% were females and 36.37% were males. The mean weight was 5.44 Kg and the mean length 39 cm, characterizing young individuals. The animals originated from São Francisco de Itabapoana - RJ, Aracruz - ES, São Mateus - ES, Guarapari - ES, Linhares - ES, Itapemirim - ES, and Anchieta - ES. Macroscopic analysis revealed presence of foam, hyperemia, nodules in the parenchyma, cyst and caseous material. Microscopic examination evidenced heterophilic bronchopneumonia, parasitic granulomatous pneumonia caused by spirorchiids, bacterial granulomatous pneumonia, fungal granulomatous pneumonia, and congestion. It was concluded that juvenile specimens of Eretmochelys imbricata, females and males, originated from the states of Espírito Santo and Rio de Janeiro and found stranded both alive or dead, have significant lung lesions, mainly inflammatory ones, associated or not with infectious agents.(AU)

Objetivou-se com este trabalho relatar os achados histopatológicos em pulmões de Eretmochelys imbricata provenientes dos litorais dos estados do Espírito Santo e do Rio de Janeiro, Brasil. Amostras de pulmões de 29 E. imbricata foram coletadas, durante os anos de 2010 a 2014, em necropsias de espécimes encalhadas mortas ou que vieram a óbito durante o tratamento, nos litorais dos estados do Espírito Santo e do Rio de Janeiro, fixadas em formalina tamponada neutra a 10%, submetidas ao processamento histológico de rotina e classificadas histomorfologicamente. Os dados dos animais mostraram que 37,93% dos animais apresentaram lesões pulmonares. Destes, 90,91% foram encontrados vivos e 9,09% morto, 63,63% eram fêmeas e 36,37% machos. O peso médio foi de 5,44kg, e o comprimento médio de 39cm, o que caracterizou animais juvenis. Os animais eram provenientes de São Francisco de Itabapoana - RJ, Aracruz - ES, São Mateus - ES, Guarapari - ES, Linhares - ES, Itapemirim - ES e Anchieta - ES. Á macroscopia, observou-se: presença de espuma, hiperemia, nódulos no parênquima, cisto e cáseo. Ao exame microscópico, foram encontrados broncopneumonia heterofílica, pneumonia granulomatosa parasitária, causadas por espirorquídeos, pneumonia granulomatosa bacteriana, pneumonia granulomatosa fúngica e congestão. Conclui-se que exemplares juvenis de Eretmochelys imbricata, fêmeas e machos, provenientes dos estados do Espírito Santo e do Rio de Janeiro e encalhados tanto vivos quanto mortos, apresentam lesões pulmonares importantes, principalmente as de origem inflamatória, associadas ou não a agentes infecciosos.(AU)

First Report of Kidney Lesions Due to Renicola sp. (Digenea: Trematoda) in Free-Living Magellanic Penguins ( Spheniscus magellanicus Forster, 1781) Found on the Coast of Brazil.

This paper presents the first report of parasites from the genus Renicola sp. in the kidneys of Magellanic penguins. The histological analysis revealed inflammatory infiltrate (eonsinophils, lymphocytes, and plasmocytes), together with fibroplasia and compression of the adjacent ducts.

Spirorchiid Infection in Olive Ridley Turtle, Lepidochelys olivacea (Eschscholtz, 1829) (Testudines: Cheloniidae), from Brazil.

The Olive Ridley turtle, Lepidochelys olivacea (Eschscholtz, 1829) (Testudines: Cheloniidae), is 1 of the 5 species of sea turtle found along the coast of Brazil. Little is known regarding infection by species of the family Spirorchiidae in the host, as only 1 report exists. This case report describes granulomas in different tissues associated to type 1 and 3 spirorchiid eggs in 5 L. olivacea from the Brazilian coast. The occurrence of the eggs was considered an incidental finding and may have contributed to the debility and death of the hosts. This is the second report of tissue lesions due to spirorchids eggs in this host and the first occurrence in Olive Ridley turtle from the Brazilian coast.

Demodicose suína no norte do estado do Rio de Janeiro: relato de caso / Demodicosis in northern Rio de Janeiro State: case report

Um leitão oriundo de um criatório do norte do estado do Rio de Janeiro, mantido no biotério do Hospital Veterinário da Universidade Estadual do Norte Fluminense Darcy Ribeiro e utilizado como caso piloto de projeto de pesquisa para investigações sobre o acesso videolaparoscópico retal (NOTES - Natural Orifice Translumenal Endoscopic Surgery), foi eutanasiado e necropsiado. Amostras do ponto de acesso do tubo de inserção na região mucocutânea anal foram colhidas, fixadas em formalina neutra tamponada a 10%, processadas por inclusão em parafina e coradas pela hematoxilina e eosina para histologia. Observou-se o comprometimento de folículos que, dilatados, exibiam formações que lembravam Demodex spp. cortados em vários sentidos e, por se tratar de ácaros espécie-específicos, concluiu-se como D. phylloides. Na citopatologia, o ácaro foi recuperado e identificado a fresco, mostrando-se alongado, com quatro pares de patas ventrais e no terço anterior do corpo. Este se refere ao primeiro registro de demodicose suína no estado do Rio de Janeiro.

A piglet derived from a farm in northern Rio de Janeiro State, maintained at the Animal Veterinary Hospital of Universidade Estadual do Norte Fluminense Darcy Ribeiro and used as a pilot case for a research project on access to research video-laparoscopic rectal (NOTES - Natural Orifice Endoscopic Surgery Translumenal) was euthanized and necropsied. Samples from the access point of the insertion tube in mucocutaneous anal region were collected, fixed in buffered formalin 10%, processed by embedding in paraffin and stained with hematoxylin and eosin for histopathology. The impairment of follicles that exhibited dilated formations resembling Demodex spp. cut in various directions and due to the mite species-specific was observed, and was concluded as D. phylloides. The mite was recovered and freshly identified by cytopathology. It was elongated, with four pairs of legs, at ventral and anterior third of the body. This refers to the first report of swine demodicosis in Rio de Janeiro State.