Self-Assembling of Nonadditive Mixtures Containing Patchy Particles with Tunable Interactions.

Mixtures of nanoparticles (NPs) with hybridizing grafted DNA or DNA-like strands have been of particular interest because of the tunable selectivity provided for the interactions between the NP components. A richer self-assembly behavior would be accessible if these NP-NP interactions could be designed to give nonadditive mixing (in analogy to the case of molecular components). Nonadditive mixing occurs when the mixed-state volume is smaller (negative) or larger (positive) than the sum of the individual components' volumes. However, instances of nonadditivity in colloidal/NP mixtures are rare, and systematic studies of such mixtures are nonexistent. This work focuses on patchy NPs whose patches (coarsely representing grafted hybridizing DNA strands) not only encode selectivity across components but also impart a tunable nonadditivity by varying their extent of protrusion. To guide the exploration of the relationship between phase behavior and nonadditivity for different patches' designs, the NP-NP potential of mean force (PMF) and a nonadditive parameter were first calculated. For one-patch NPs, different lamellar morphologies were predominantly observed. In contrast, for mixtures of two-patch NPs and (fully grafted) spherical particles, a rich phase behavior was found depending on patch-patch angle and degree of nonadditivity, resulting in phases such as the gyroid, cylinder, honeycomb, and two-layered crystal. Our results also show that both minimum positive nonadditivity and multivalent interactions are necessary for the formation of ordered network mesophases in the class of models studied.

Influence of Nonadditive Mixing on Colloidal Diamond Phase Formation from Patchy Particles.

Mixtures of nanoparticles (NPs) with hybridizing grafted DNA or DNA-like strands have been shown to create highly tunable NP-NP interactions, which, if designed to give nonadditive mixing, could lead to a richer self-assembly behavior. While nonadditive mixing is known to result in nontrivial phase behavior in molecular fluids, its effects on colloidal/NP materials have been much less studied. Such effects are explored here via molecular simulations for a binary system of tetrahedral patchy NPs, known to self-assemble into the diamond phase. The NPs are modeled with raised patches that interact through a coarse-grained interparticle potential representing DNA hybridization between grafted strands. It was found that these patchy NPs spontaneously nucleate into the diamond phase, and that hard-interacting NP cores eliminated the competition between the diamond and BCC phases at the conditions studied. Our results also showed that while higher nonadditivity had a small effect on phase behavior, it kinetically enhanced the formation of the diamond phase. Such a kinetic enhancement is argued to arise from changes in phase packing densities and how these modulate the interfacial free energy of the crystalline nucleus by favoring high-density motifs in the isotropic phase and larger NP vibrations in the diamond phase.

Predictors of functional communication in people with aphasia after stroke.

BACKGROUND: Aphasia, the most common language disorder secondary to stroke, has been associated with increased mortality, longer hospitalization and rehabilitation times, worse performance in daily activities, increased financial burden, and short- and long-term complications. Aphasia can negatively impact functional communication skills, including social networks, social activities, relationships with other people and social support. OBJECTIVE: To evaluate patients with poststroke aphasia in their respective residences to investigate potential predictors of functional communication. METHODS: The prospective cohort included patients with poststroke aphasia aged 18 years or older who resided in the city of Salvador, Northeastern Brazil. Following discharge from the Stroke Unit (SU), the individuals themselves, or their guardians, were contacted by telephone to schedule a home visit no less than three months after discharge. At baseline, sociodemographic and clinical data were collected, in addition to the scores on the National Institutes of Health Stroke Scale (NIHSS) and modified Barthel Index (mBI). The American Speech-Language-Hearing Association Functional Assessment of Communication Skills for Adults (ASHA FACS) was applied at the patients' homes. Multivariate linear regression was employed using the total score on the ASHA FACS as the outcome of interest. RESULTS: A multivariate analysis of the associated factors identified using the linear regression revealed that only functional capacity (as assessed by the mBI) upon discharge from the SU remained as an independent predictor of functional communication performance (ß = 0.042; 95% confidence interval [95%CI] = 0.013-0.071; p = 0.002). CONCLUSION: The functional capacity to perform daily activities, evaluated upon discharge from a stroke unit, was identified as a potential predictor of functional communication performance, regardless of the time elapsed after the stroke.

ANTECEDENTES: A afasia, distúrbio de linguagem mais comum secundário ao acidente vascular cerebral (AVC), está associada ao aumento da mortalidade, a um maior tempo de internação e reabilitação, ao pior desempenho nas atividades diárias, ao aumento da carga financeira, e às complicações de curto e longo prazos. Pode impactar negativamente as habilidades de comunicação funcional, incluindo atividades sociais, relacionamento com outras pessoas, e o apoio social. OBJETIVO: Avaliar pacientes com afasia pós-AVC em suas respectivas residências para investigar potenciais preditores de comunicação funcional. MéTODOS: A coorte prospectiva incluiu pacientes com afasia pós-AVC com 18 anos de idade ou mais, residentes em Salvador, Brasil. Após a alta da Unidade de AVC (UAVC), os próprios indivíduos, ou seus responsáveis, foram contatados por telefone para agendamento de visita domiciliar no mínimo três meses após a alta. Inicialmente, foram coletados dados sociodemográficos e clínicos, além das pontuações na National Institutes of Health Stroke Scale (NIHSS) e no Índice de Barthel modificado (IBM). O American Speech-Language-Hearing Association Functional Assessment of Communication Skills for Adults (ASHA FACS) foi aplicado no domicílio dos pacientes. A regressão linear multivariada foi empregada usando a pontuação total no ASHA FACS como o desfecho de interesse. RESULTADOS: A análise multivariada por meio de regressão linear revelou que apenas a capacidade funcional avaliada na alta da UAVC permaneceu como preditor independente do desempenho da comunicação funcional (ß = 0,042; intervalo de confiança de 95% [IC95%] = 0,013­0,071; p = 0,002). CONCLUSãO: A capacidade funcional para realizar as atividades diárias, avaliada na alta hospitalar, foi identificada como potencial preditor do desempenho da comunicação funcional, independente do tempo desde o AVC.

Predictors of functional communication in people with aphasia after stroke / Preditores de comunicação funcional em pessoas com afasia após acidente vascular cerebral

Abstract Background Aphasia, the most common language disorder secondary to stroke, has been associated with increased mortality, longer hospitalization and rehabilitation times, worse performance in daily activities, increased financial burden, and short- and long-term complications. Aphasia can negatively impact functional communication skills, including social networks, social activities, relationships with other people and social support. Objective To evaluate patients with poststroke aphasia in their respective residences to investigate potential predictors of functional communication. Methods The prospective cohort included patients with poststroke aphasia aged 18 years or older who resided in the city of Salvador, Northeastern Brazil. Following discharge from the Stroke Unit (SU), the individuals themselves, or their guardians, were contacted by telephone to schedule a home visit no less than three months after discharge. At baseline, sociodemographic and clinical data were collected, in addition to the scores on the National Institutes of Health Stroke Scale (NIHSS) and modified Barthel Index (mBI). The American Speech-Language-Hearing Association Functional Assessment of Communication Skills for Adults (ASHA FACS) was applied at the patients' homes. Multivariate linear regression was employed using the total score on the ASHA FACS as the outcome of interest. Results A multivariate analysis of the associated factors identified using the linear regression revealed that only functional capacity (as assessed by the mBI) upon discharge from the SU remained as an independent predictor of functional communication performance (β = 0.042; 95% confidence interval [95%CI] = 0.013-0.071; p = 0.002). Conclusion The functional capacity to perform daily activities, evaluated upon discharge from a stroke unit, was identified as a potential predictor of functional communication performance, regardless of the time elapsed after the stroke.

Resumo Antecedentes A afasia, distúrbio de linguagem mais comum secundário ao acidente vascular cerebral (AVC), está associada ao aumento da mortalidade, a um maior tempo de internação e reabilitação, ao pior desempenho nas atividades diárias, ao aumento da carga financeira, e às complicações de curto e longo prazos. Pode impactar negativamente as habilidades de comunicação funcional, incluindo atividades sociais, relacionamento com outras pessoas, e o apoio social. Objetivo Avaliar pacientes com afasia pós-AVC em suas respectivas residências para investigar potenciais preditores de comunicação funcional. Métodos A coorte prospectiva incluiu pacientes com afasia pós-AVC com 18 anos de idade ou mais, residentes em Salvador, Brasil. Após a alta da Unidade de AVC (UAVC), os próprios indivíduos, ou seus responsáveis, foram contatados por telefone para agendamento de visita domiciliar no mínimo três meses após a alta. Inicialmente, foram coletados dados sociodemográficos e clínicos, além das pontuações na National Institutes of Health Stroke Scale (NIHSS) e no Índice de Barthel modificado (IBM). O American Speech-Language-Hearing Association Functional Assessment of Communication Skills for Adults (ASHA FACS) foi aplicado no domicílio dos pacientes. A regressão linear multivariada foi empregada usando a pontuação total no ASHA FACS como o desfecho de interesse. Resultados A análise multivariada por meio de regressão linear revelou que apenas a capacidade funcional avaliada na alta da UAVC permaneceu como preditor independente do desempenho da comunicação funcional (β = 0,042; intervalo de confiança de 95% [IC95%] = 0,013-0,071; p = 0,002). Conclusão A capacidade funcional para realizar as atividades diárias, avaliada na alta hospitalar, foi identificada como potencial preditor do desempenho da comunicação funcional, independente do tempo desde o AVC.

Impacto das medidas de restrição social da pandemia da COVID-19 na participação social de pessoas com HTLV-1: estudo transversal / Impact of pandemic social restriction measures of COVID-19 on the social participation of people with HTLV-1: a transversal study

| INTRODUÇÃO: O vírus linfotrópico de células T humana tipo 1 (HTLV-1) é classificado como retrovírus e pode estar diretamente associado às doenças neurológicas. Por ser uma doença negligenciada pelas autoridades sanitárias e governamentais num panorama mundial, ainda existe uma carência de evidências científicas que investigam o impacto do HTLV-1 no âmbito da participação social dessa população. OBJETIVO: Analisar o impacto da pandemia da COVID-19 na participação social de indivíduos com HTLV-1. MATERIAL E MÉTODOS: Trata-se de um estudo observacional do tipo transversal realizado com indivíduos com HTLV-1 vinculados à Associação HTLVida. A coleta de dados foi realizada através de entrevistas via videoconferência; a primeira entrevista teve como objetivo explorar as características clínicas e sociodemográficas dos participantes, já a segunda investigou a participação social dos indivíduos comparando dois períodos (antes e durante a pandemia de COVID-19), através da aplicação do Questionário de Integração na Comunidade (QIC). RESULTADOS: Foram entrevistados 11 indivíduos, com predominância do sexo feminino (72,7%), com mediana de idade de 57 (52- 66) anos. No que tange os resultados referentes à participação social avaliada pelo QIC, observou-se a manutenção do escore do domínio de integração no ambiente doméstico, uma diferença de 3.00 pontos no domínio de integração no ambiente social, uma diferença de 2.00 pontos no domínio de integração no ambiente do trabalho e escola, além de uma diferença de 6.00 pontos no escore total do QIC. CONCLUSÃO: Identificou-se uma diminuição da participação social de indivíduos com HTLV-1 durante a pandemia da COVID-19, quando comparado ao período prévio de início da pandemia.

INTRODUCTION: Human T-cell Lymphotropic Virus type 1 (HTLV-1) is classified as a retrovirus and may be directly associated with neurological diseases. As it is a disease neglected by health and governmental authorities in a world panorama, there is still a lack of scientific evidence that investigates the impact of HTLV-1 in the scope of the social participation of this population. OBJECTIVE: To analyze the impact of the COVID-19 pandemic on the social participation of individuals with HTLV-1. MATERIAL AND METHODS: This is a transversal observational study carried out with individuals with HTLV-1, linked to the HTLVida Association. The data collection was carried out through interviews in a videoconference. The first interview aimed to explore the clinical and sociodemographic characteristics of the participants. In contrast, the second one investigated the social participation of individuals comparing two periods (before and during the COVID-19 pandemic) through the application of the Community Integration Questionnaire (CIQ). RESULTS: Eleven individuals were interviewed, predominantly female (72.7%), with a median age of 57 (52-66). About the results regarding social participation evaluated by the CIQ, was observed maintenance of the score in the domain of Integration in the home environment, a difference of 3.00 points in the domain of Integration in the social environment, a difference of 2.00 points in the domain of Integration in the work and school environment, and a difference of 6.00 points in the total CIQ score. CONCLUSION: A decrease in the social participation of individuals with HTLV-1 during the COVID-19 pandemic was compared to the period before the start of the pandemic.

Congruent phase behavior of a binary compound crystal of colloidal spheres and dimpled cubes.

Monte Carlo simulations were performed to study the phase behavior of equimolar mixtures of spheres and cubes having selective inter-species affinity. Such a selectivity was designed to promote the formation of the substitutionally ordered NaCl compound, the "C* phase," and to be driven not only by energetic bonds but also by entropic bonds generated by dimples on the cube facets. Nestling of the spheres in the cube indentations can promote negative nonadditive mixing and increase the C* phase packing entropy. The focus is on congruent phase behavior wherein the C* phase directly melts into, and can be conveniently accessed from, the disordered state. A specialized thermodynamic integration scheme was used to trace the coexisting curves for varying the values of the interspecies contact energy, ε*, the relative indentation size, λ, and the sphere-to-cube size ratio, ζ. By starting from a known coexistence point with ε* > 0 and λ = 0 (no indentation), it is found that increasing λ (at fixed ε* and ζ) reduces the free-energy and pressure of the C* phase at coexistence, indicative of stronger entropic bonding. Remarkably, it is demonstrated that a purely athermal C* phase (i.e., with ε* = 0) can be formed for λ ≥ 0.7 and suitable choices of ζ. A metric of nonadditive (excess) volume of mixing is also suggested as an approximate predictor of athermal C* phase stability. The principles used to engineer selective entropic bonds and compounds with congruent melting are expected to be applicable to other particle shapes and crystalline phases.

Investigating predictors of community integration in individuals after stroke in a residential setting: A longitutinal study.

AIM: To identify potential predictors of community integration in individuals after stroke using a residential setting-based strategy. METHOD: A prospective cohort of post-stroke individuals was recruited from the Stroke Unit of the Roberto Santos General Hospital (UAVC-HGRS). All included individuals were aged over 18 years, received a diagnosis of ischemic stroke confirmed by neuroimaging and resided in the city of Salvador (Bahia, Brazil). Following discharge from the stroke unit, the individuals themselves, or their responsible parties, were contacted by telephone to schedule a home visit no less than three months after discharge. All subjects were examined in their homes, at which time the Community Integration Questionnaire (CIQ) was also applied. A robust linear regression model was used to assess community reintegration using CIQ score as the outcome variable. RESULTS: A total of 124 individuals effectively fulfilled the eligibility criteria: 51.6% were females, the median (IQR) age was 63(53-69) years, 82.3% were non-white, 53.2% were married, the median (IQR) of years of schooling was 6 (4-12) and family income averaged two minimum monthly wages. Investigated individuals presented a median (IQR) NIH Stroke Scale (NIHSS) score of 7 (4-12). Multivariate linear regression identified the following independent predictors of community integration: age (ß = -0.095; 95% CI = -0.165 to -0.025; p = 0.008), diabetes mellitus (ß = -2.348; 95% CI = -4.125 to -0.571; p = 0.010), smoking habit (ß = -2.951; 95% CI = -5.081 to -0.821; p = 0.007), functional capacity upon hospital discharge (ß = 0.168; 95% CI = 0.093 to 0.242; p = <0.001) and stroke severity (ß = -0.163; CI = -0.318 to -0.009); p = 0.038). CONCLUSIONS: Regardless of length of time since stroke, individuals present restrictions that compromise their reintegration into their respective communities. The demographic, clinical and functional factors identified herein as potential predictors should be considered when conducting regular follow-up, as well as in the rehabilitation of individuals after stroke with the purpose to identify the interventions necessary to optimize their reintegration into the community.

A comparative scanning electron microscopy evaluation of smear layer removal with apple vinegar and sodium hypochlorite associated with EDTA

OBJECTIVE: The purpose of this study was to evaluate by scanning electron microscopy (SEM) the removal of smear layer from the middle and apical root thirds after use of different irrigating solutions. MATERIAL AND METHODS: Forty roots of permanent human teeth had their canals instrumented and were randomly assigned to 4 groups (n=10), according to the irrigating solution: apple vinegar (group A), apple vinegar finished with 17 percent ethylenediaminetetraacetic acid (EDTA) (group B), 1 percent sodium hypochlorite (NaOCl) finished with 17 percent EDTA (group C) and saline (group D - control). After chemomechanical preparation, the roots were cleaved longitudinally and their middle and apical thirds were examined by SEM at ×1,000 magnification. Two calibrated examiners (kappa=0.92) analyzed the SEM micrographs qualitatively attributing scores that indicated the efficacy of the solutions in removing the smear layer from the surface of the dentin tubules (1 - poor, 2 - good and 3 - excellent). Data from the control and experimental groups were analyzed by the Kruskal-Wallis and Dunn's test, while the Wilcoxon test was used to compare the middle and apical thirds of the canals within the same group (a=0.05). RESULTS: The middle third presented less amount of smear layer than the apical third, regardless of the irrigant. There was statistically significant difference (p=0.0402) among the groups in the middle third. In the apical third, the apple vinegar/EDTA group showed the greatest removal of smear layer (p=0.0373). CONCLUSION: Apple vinegar associated or not with EDTA was effective in removing smear layer when used as an endodontic irrigant.

A comparative scanning electron microscopy evaluation of smear layer removal with apple vinegar and sodium hypochlorite associated with EDTA.

OBJECTIVE: The purpose of this study was to evaluate by scanning electron microscopy (SEM) the removal of smear layer from the middle and apical root thirds after use of different irrigating solutions. MATERIAL AND METHODS: Forty roots of permanent human teeth had their canals instrumented and were randomly assigned to 4 groups (n=10), according to the irrigating solution: apple vinegar (group A), apple vinegar finished with 17% ethylenediaminetetraacetic acid (EDTA) (group B), 1% sodium hypochlorite (NaOCl) finished with 17% EDTA (group C) and saline (group D - control). After chemomechanical preparation, the roots were cleaved longitudinally and their middle and apical thirds were examined by SEM at ×1,000 magnification. Two calibrated examiners (kappa=0.92) analyzed the SEM micrographs qualitatively attributing scores that indicated the efficacy of the solutions in removing the smear layer from the surface of the dentin tubules (1 - poor, 2 - good and 3 - excellent). Data from the control and experimental groups were analyzed by the Kruskal-Wallis and Dunn's test, while the Wilcoxon test was used to compare the middle and apical thirds of the canals within the same group (a=0.05). RESULTS: The middle third presented less amount of smear layer than the apical third, regardless of the irrigant. There was statistically significant difference (p=0.0402) among the groups in the middle third. In the apical third, the apple vinegar/EDTA group showed the greatest removal of smear layer (p=0.0373). CONCLUSION: Apple vinegar associated or not with EDTA was effective in removing smear layer when used as an endodontic irrigant.