193 research outputs found
Extended DFT+U+V method with on-site and inter-site electronic interactions
In this article we introduce a generalization of the popular DFT+U method
based on the extended Hubbard model that includes on-site and inter-site
electronic interactions. The novel corrective Hamiltonian is designed to study
systems for which electrons are not completely localized on atomic states
(according to the general scheme of Mott localization) and hybridization
between orbitals from different sites plays an important role. The application
of the extended functional to archetypal Mott - charge-transfer (NiO) and
covalently bonded insulators (Si and GaAs) demonstrates its accuracy and
versatility and the possibility to obtain a unifying and equally accurate
description for a broad range of very diverse systems
Towards Olefin Multi-block Copolymers with Tailored Properties: A Molecular Perspective
This is an Accepted Manuscript of an article published by Macromolecular Theory and Simulations (MTS), of Wiley. Mohammadi, Y., Saeb, M. R., Penlidis, A., Jabbari, E., Stadler, F. J., Zinck, P., & VivaldoâLima, E. (2021). Toward olefin multiblock copolymers with tailored properties: A molecular perspective. Macromolecular Theory and Simulations, 30(3), 2100003. https://doi.org/10.1002/mats.202100003Recent progress in macromolecular reaction engineering has enabled the synthesis of sequence-controlled polymers. The advent of Olefin Block Copolymers (OBCs) via chain shuttling polymerization of ethylene with α-olefins has opened new horizons for the synthesis of polyolefins having a dual character of thermoplastics and elastomers. Nevertheless, the use of two catalysts with different comonomer selectivities and a chain shuttling agent, dragging and dropping live chains between active catalyst centers, made precise tailoring of OBCs microstructure containing hard and soft units a feasible challenge. This work discusses the possibility of predicting properties of OBCs from its simulated molecular patterns. The microstructural characteristics of OBCs are discussed in terms of topology-related and property-related features. An intelligent tool, which combines the benefits of Kinetic Monte Carlo simulation and Artificial Neural Network modeling, was used to explore the connection between polymerization recipe (catalyst composition, ethylene to 1-octene monomer ratio, and chain shuttling agent level) and topology-related as well as property-related microstructural features. The properties of target OBCs are reflected in the hard block percent, the number of 1-octene units in the copolymer chains, and the longest ethylene sequence length of the hard and soft segments
AVALIAĂĂO DO CONTROLE POSTURAL E DA PRESSĂO PLANTAR EM PESSOAS COM ALTERAĂĂO VISUAL
O estudo objetivou avaliar o controle postural e a pressĂŁo plantar em pessoas com alteração visual, utilizando como referĂȘncia o estrabismo. Participaram do estudo trinta e quatro voluntĂĄrios, divididos em dois grupos: Grupo com Alteração Visual (GAV) com dezessete indivĂduos com estrabismo e um Grupo Controle (GC) formado por dezessete indivĂduos com visĂŁo normal. Todos os participantes foram submetidos Ă s avaliaçÔes da pressĂŁo plantar e do equilĂbrio atravĂ©s do exame da baropodometria computadorizada. NĂŁo houve diferença significativa na distribuição da pressĂŁo na regiĂŁo plantar entre os dois grupos. Na avaliação do equilĂbrio, a velocidade mĂ©dia de oscilação e o deslocamento lĂĄtero-lateral, com olhos abertos, apresentaram diferença estatĂstica entre os grupos, bem como o deslocamento Ăąntero-posterior, com olhos fechados. Conclui-se que nĂŁo houve diferença estatisticamente significante na distribuição da pressĂŁo plantar ao comparar os dois grupos. HĂĄ alteraçÔes significativas no equilĂbrio em indivĂduos com alteração visual no deslocamento L/L e na velocidade mĂ©dia de oscilação, quando com os olhos abertos, no entanto existe uma correlação positiva em relação ao deslocamento A/P na condição olhos fechados, quando comparados com os indivĂduos com visĂŁo normal
Molecular and serological surveys of canine distemper virus : a meta-analysis of crosssectional studies
Background
Canine morbillivirus (canine distemper virus, CDV) persists as a serious threat to the health
of domestic dogs and wildlife. Although studies have been conducted on the frequency and
risk factors associated with CDV infection, there are no comprehensive data on the current
epidemiological magnitude in the domestic dog population at regional and national levels.
Therefore, we conducted a cross-sectional study and included our results in a meta-analysis
to summarize and combine available data on the frequency and potential risk factors associated with CDV infection.
Methods
For the cross-sectional study, biological samples from dogs suspected to have canine distemper (CD) were collected and screened for viral RNA. Briefly, the PRISMA protocol was
used for the meta-analysis, and data analyses were performed using STATA IC 13.1
software.
Results
CDV RNA was detected in 34% (48/141) of dogs suspected to have CD. Following our
meta-analysis, 53 studies were selected for a total of 11,527 dogs. Overall, the pooled frequency of CDV positivity based on molecular and serological results were 33% (95% CI:
23â43) and 46% (95% CI: 36â57), respectively. The pooled subgroup analyses of clinical
signs, types of biological samples, diagnostic methods and dog lifestyle had a wide range of
CDV positivity (range 8â75%). Free-ranging dogs (OR: 1.44, 95% CI: 1.05â1.97), dogs >24
months old (OR: 1.83, 95% CI: 1.1â3) and unvaccinated dogs (OR: 2.92, 95% CI: 1.26â
6.77) were found to be positively associated with CDV infection. In contrast, dogs <12
months old (OR: 0.36, 95% CI: 0.20â0.64) and dogs with a complete anti-CDV vaccination
(OR: 0.18, 95% CI: 0.05â0.59) had a negative association. Conclusion
Considering the high frequency of CDV positivity associated with almost all the variables
analyzed in dogs, it is necessary to immediately and continuously plan mitigation strategies
to reduce the CDV prevalence, especially in determined endemic localities
Microglia/AstrocytesâGlioblastoma Crosstalk: Crucial Molecular Mechanisms and Microenvironmental Factors
In recent years, the functions of glial cells, namely, astrocytes and microglia, have gained prominence in several diseases of the central nervous system, especially in glioblastoma (GB), the most malignant primary brain tumor that leads to poor clinical outcomes. Studies showed that microglial cells or astrocytes play a critical role in promoting GB growth. Based on the recent findings, the complex network of the interaction between microglial/astrocytes cells and GB may constitute a potential therapeutic target to overcome tumor malignancy. In the present review, we summarize the most important mechanisms and functions of the molecular factors involved in the microglia or astrocytesâGB interactions, which is particularly the alterations that occur in the cellâs extracellular matrix and the cytoskeleton. We overview the cytokines, chemokines, neurotrophic, morphogenic, metabolic factors, and non-coding RNAs actions crucial to these interactions. We have also discussed the most recent studies regarding the mechanisms of transportation and communication between microglial/astrocytes â GB cells, namely through the ABC transporters or by extracellular vesicles. Lastly, we highlight the therapeutic challenges and improvements regarding the crosstalk between these glial cells and GB
Chemical resistance of core-shell particles (PS/PMMA) polymerized by seeded suspension
Candomblé and the Academic's Tools : Religious Expertise and the Binds of Recognition in Brazil
ABSTRACT Latin American state efforts to recognize ethnically and racially marked populations have focused on knowledge and expertise. This article argues that this form of state recognition does not only call on subaltern groups to present themselves in a frame of expertise. It also pushes such groups to position themselves and their social and political struggles in a matrix based on expertise and knowledge. In the context of early 2000s Brazil, the drive to recognition led activists from the Afro-Brazilian religion Candomblé to reimagine the religion's practitioners? long-term engagements with scholars and scholarly depictions of the religion as a form of epistemological exploitation that had resulted in public misrecognition of the true source of knowledge on the religion: Candomblé practitioners. To remedy this situation, the activists called on Candomblé practitioners to appropriate the ?academic's tools,? the modes of representation by which scholarly expertise and knowledge were performed and recognized by the general public and state officials. This strategy transformed religious structures of expertise and knowledge in ways that established a new, politically efficacious epistemological grounding for Candomblé practitioners? calls for recognition. But it also further marginalized temples with limited connections or access to scholars and higher education. [politics of recognition, politics of expertise, state recognition, Candomblé religion, Brazil]Peer reviewe
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