Risks of soil chemical degradation from atmospheric gypsum plumes around selected extraction and processing enterprises, Northeast Brazil.

Gypsum plays a prominent role in agriculture, being considered an effective alternative to alleviate subsurface acidity due to its higher solubility and containing sulfur. However, another significant aspect is which pose long-term risks of groundwater contamination due to excessive applications of salts, pesticides, and other chemicals that will be leached, or even soil chemical depletion. So far, no study has focused on understanding the impacts of the atmospheric gypsum plume originating from gibbsite mining and processing on the leaching of soil bases and chemical degradation surrounding these sites. In this study, we evaluated the behavior of chemical characteristics in soil profiles distributed along the dispersion of the atmospheric plume and in areas without interference from the industrial sector in the state of Maranhão, Northeast Brazil. Fifty-three sampling points were collected at 7 locations based on the dispersion of the dust plume through wind drift. Each sampling point was represented by three composite soil samples at depths of 0.0-0.20, 0.40-0.60, and 1.00-1.20 m, where the chemical soil characteristics were evaluated. The average levels of Ca, Mg, and K in the studied layers are classified as low, with minimum values below the method's detection limit, and they also show imbalance due to higher concentrations of Ca in the surface layer in areas affected by atmospheric dispersion. The sum and saturation of bases at all depths are classified as low. Higher aluminum saturation values were observed in the deeper soil layers. The gypsum dust altered the soil's chemical characteristics at the evaluated depths; therefore, it is necessary to seek means to mitigate gypsum dust release during gibbsite extraction and processing and ensure that the soils in areas near these enterprises maintain their natural characteristics.

Implications of size dispersion on X-ray scattering of crystalline nanoparticles: CeO2 as a case study.

Controlling the shape and size dispersivity and crystallinity of nanoparticles (NPs) has been a challenge in identifying these parameters' role in the physical and chemical properties of NPs. The need for reliable quantitative tools for analyzing the dispersivity and crystallinity of NPs is a considerable problem in optimizing scalable synthesis routes capable of controlling NP properties. The most common tools are electron microscopy (EM) and X-ray scattering techniques. However, each technique has different susceptibility to these parameters, implying that more than one technique is necessary to characterize NP systems with maximum reliability. Wide-angle X-ray scattering (WAXS) is mandatory to access information on crystallinity. In contrast, EM or small-angle X-ray scattering (SAXS) is required to access information on whole NP sizes. EM provides average values on relatively small ensembles in contrast to the bulk values accessed by X-ray techniques. Besides the fact that the SAXS and WAXS techniques have different susceptibilities to size distributions, SAXS is easily affected by NP-NP interaction distances. Because of all the variables involved, there have yet to be proposed methodologies for cross-analyzing data from two techniques that can provide reliable quantitative results of dispersivity and crystallinity. In this work, a SAXS/WAXS-based methodology is proposed for simultaneously quantifying size distribution and degree of crystallinity of NPs. The most reliable easy-to-access size result for each technique is demonstrated by computer simulation. Strategies on how to compare these results and how to identify NP-NP interaction effects underneath the SAXS intensity curve are presented. Experimental results are shown for cubic-like CeO2 NPs. WAXS size results from two analytical procedures are compared, line-profile fitting of individual diffraction peaks in opposition to whole pattern fitting. The impact of shape dispersivity is also evaluated. Extension of the proposed methodology for cross-analyzing EM and WAXS data is possible.

Multivariate Analysis of Solubility Parameters for Drug-Polymer Miscibility Assessment in Preparing Raloxifene Hydrochloride Amorphous Solid Dispersions.

The success of obtaining solid dispersions for solubility improvement invariably depends on the miscibility of the drug and polymeric carriers. This study aimed to categorize and select polymeric carriers via the classical group contribution method using the multivariate analysis of the calculated solubility parameter of RX-HCl. The total, partial, and derivate parameters for RX-HCl were calculated. The data were compared with the results of excipients (N = 36), and a hierarchical clustering analysis was further performed. Solid dispersions of selected polymers in different drug loads were produced using solvent casting and characterized via X-ray diffraction, infrared spectroscopy and scanning electron microscopy. RX-HCl presented a Hansen solubility parameter (HSP) of 23.52 MPa1/2. The exploratory analysis of HSP and relative energy difference (RED) elicited a classification for miscible (n = 11), partially miscible (n = 15), and immiscible (n = 10) combinations. The experimental validation followed by a principal component regression exhibited a significant correlation between the crystallinity reduction and calculated parameters, whereas the spectroscopic evaluation highlighted the hydrogen-bonding contribution towards amorphization. The systematic approach presented a high discrimination ability, contributing to optimal excipient selection for the obtention of solid solutions of RX-HCl.

Search for new green natural solid phases for sample preparation for PAHs determination in seafood samples followed by LC and GC-MS/MS analysis.

Polycyclic aromatic hydrocarbons (PAHs) are carcinogenic organic pollutants found in various environments, notably aquatic ecosystems and the food chain, posing significant health risks. Traditional methods for detecting PAHs in food involve complex processes and considerable reagent usage, raising environmental concerns. This study explores eco-friendly approaches suing solid phases derived from natural sources in matrix solid phase dispersion. We aimed to develop, optimize, and validate a sample preparation technique for seafood, employing natural materials for PAH analysis. Ten natural phases were compared with a commercial reference phase. The methodology involved matrix solid phase dispersion and pressurized liquid extraction, followed by liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS). Three solid phases (perlite, sweet manioc starch, and barley) showed superior performance in LC-MS/MS and were further evaluated with gas chromatography-tandem mass spectrometry (GC-MS/MS), confirming perlite as the most effective phase. Validation followed Brazilian regulatory guidelines and European Community Regulation 2021/808/EC. The resulting method offered advantages in cost-effectiveness, reduced environmental impact, cleaner extracts, and enhanced analytical performance compared to the reference solid phase and LC-MS/MS. Proficiency analysis confirmed method reliability, with over 50% alignment with green analytical chemistry principles. In conclusion, this study developed an environmentally sustainable sample preparation technique for seafood analysis using natural solid phases, particularly perlite, for PAH determination.

Thymol as Starting Material for the Development of a Biobased Material with Enhanced Antimicrobial Activity: Synthesis, Characterization, and Potential Application.

A biobased material, polythymol (PTF), was prepared using thymol, a monoterpene obtained from the essential oil of Thymus vulgaris (Lamiaceae), as a starting material with the aim of enhancing the antimicrobial properties of this natural product. Initially, different processes were performed in order to optimize the reaction conditions to obtain a macromolecule with a high purity and yield. PTF was characterized using different techniques, such as NMR, infrared, UV-Vis, and thermogravimetric analyses. The antimicrobial activity of both PTF and thymol was evaluated against different microorganisms, including S. aureus, E. coli, P. aeruginosa, and C. albicans. The obtained MIC values showed a higher potential for PTF than the monomer thymol-for example, against S. aureus (500 and 31.5 µg·mL-1 for thymol and PTF, respectively). Therefore, the obtained results show that the polymerization of thymol afforded more active biomaterial than the starting monomeric antimicrobial compound (thymol), suggesting that PTF is an important biomaterial.

Influence of Defects and Charges on the Colloidal Stabilization of Graphene in Water.

Mastering graphene preparation is an essential step to its integration into practical applications. For large-scale purposes, full graphite exfoliation appears as a suitable route for graphene production. However, it requires overpowering attractive van der Waals forces demanding large energy input, with the risk of introducing defects in the material. This difficulty can be overcome by using graphite intercalation compounds (GICs) as starting material. The greater inter-sheet separation in GICs (compared with graphite) allows the gentler exfoliation of soluble graphenide (reduced graphene) flakes. A solvent exchange strategy, accompanied by the oxidation of graphenide to graphene, can be implemented to produce stable aqueous graphene dispersions (Eau de graphene, EdG), which can be readily incorporated into many processes or materials. In this work, we prove that electrostatic forces are responsible for the stability of fully exfoliated graphene in water, and explore the influence of the oxidation and solvent exchange procedures on the quality and stability of EdG. We show that the amount of defects in graphene is limited if graphenide oxidation is carried out before exposing the material to water, and that gas removal of water before the incorporation of pre-oxidized graphene is advantageous for the long-term stability of EdG.

Supercritical fluid (SCF)-assisted preparation of cyclodextrin-based poly(pseudo)rotaxanes for transdermal purposes.

This study aims to investigate the effect of the preparation of solid dispersions using supercritical CO2 (scCO2) on the physicochemical properties and the performance of supramolecular gels based on polymer-cyclodextrin (CD) interactions (named poly(pseudo)rotaxanes, PPR) envisaging a transdermal administration. Solid dispersions containing Soluplus®, the antihypertensive drug carvedilol (CAR), and CD (αCD or HPßCD) were prepared and characterized by HPLC, XRPD, FTIR, and DSC. PPRs prepared from solid dispersions (SCF gels) and the corresponding physical mixtures (PM gels) were analyzed regarding rheology, morphology, in vitro drug diffusion, and ex vivo drug skin permeation. The application of scCO2 led to the loss of the crystalline lattice of CAR while preserving its chemical identity. On the contrary, αCD crystals were still present in the SCF solid dispersions. SCF gels were more uniform than their corresponding PM, and the supercritical treatment resulted in changes in the rheological behavior, reducing the viscosity. CAR in vitro diffusion was significantly higher (p < 0.05) for the αCD-based SCF gel than its corresponding PM gel. Drug skin permeation showed a significant increase in drug flux from CD-based SCF gels (containing αCD or HPßCD) compared to corresponding PM gels. Additionally, the pretreatment of the skin with αCD exhibited increased CAR permeation, suggesting an interaction between αCD and the skin membrane. Results evidenced that SCF processing decisively modified the properties of the supramolecular gels, particularly those prepared with αCD.

Pigment deposits in the retrolental space of Berger: a rare feature of pigment dispersion syndrome? / Depósitos de pigmento no espaço de Berger: uma característica rara de síndrome de dispersão pigmentar?

ABSTRACT Pigment dispersion syndrome is associated with clinical features such as Krukenberg's spindles, trabecular pigmentation, Scheie's stripe and Zentmayer's ring. Another less common feature of this syndrome is retrolental pigment deposits due to anterior hyaloid detachment or a defect in the Wieger's ligament. We present two cases of pigment deposits on the posterior lens capsule. In both cases, there is bilateral dispersion of pigment throughout the anterior segment. The retrolental deposits are unilateral in the first case and bilateral in the second. Both patients report a history of ocular trauma. This is a possible important clinical sign of pigment dispersion syndrome, rarely described.

RESUMO A síndrome de dispersão pigmentar associa-se a sinais clínicos característicos como fuso de Krukenberg, hiperpigmentação da malha trabecular, linha de Scheie e anel de Zentmeyer. Um sinal menos comum dessa síndrome é o depósito de pigmento posterior ao cristalino, que ocorre por um descolamento da hialoide anterior ou um defeito no ligamento de Wieger. Apresentamos dois casos de depósitos de pigmento posterior à cápsula posterior do cristalino. Em ambos os casos, existia dispersão bilateral de pigmento por todo o segmento anterior. No primeiro caso, os depósitos eram unilaterais e, no segundo, estavam presentes em ambos os olhos. Este pode corresponder a um sinal potencialmente importante da síndrome de dispersão pigmentar, raramente descrito.

Spatial structure of phytoplankton metacommunities and their functional groups in a neotropical floodplain / Estrutura espacial de metacomunidades fitoplanctônicas e seus grupos funcionais em uma planície de inundação neotropical

Abstract The spatial and temporal patterns and dynamics of biological community structure can be better understood through the lens of metacommunity theory, in which the effect of local (deterministic processes, ecological niche theory) and regional (stochastic processes, neutral theory) processes are evaluated as the main predictors of phytoplankton. The objective of this paper was to evaluate the effect of local environmental characteristics, spatial, and landscape predictors on the phytoplankton community in lakes of the Araguaia River floodplain. We evaluated the following questions: (i) What is the specific importance of physical and chemical water characteristics (local environmental predictors), dispersive processes (spatial predictors), and land use and occupancy (landscape predictors) in the phytoplankton metacommunity structure, both for taxonomic and functional groups? (ii) Does the buffer size used in land use and land cover measurement around the sampling units show differences in phytoplankton community prediction? All the predictors could explain the phytoplankton structure but the spatial were the most important. The buffers showed different predictive abilities, with taxonomic classification being related to larger sizes of buffers and functional groups the opposite. The great influence of spatial predictors can be explained by source-sink dynamics, where dispersal is so strong that it can diminish the effects of local predictors and guarantee a large flux of organisms to sink communities. In conclusion, dispersive processes have been shown to strongly influence the spatial structuring of the phytoplankton metacommunity and we highlight the need to consider buffers' size when assessing the landscape's effect on phytoplankton communities.

Resumo Os padrões espaciais e temporais e a dinâmica da estrutura da comunidade biológica podem ser compreendidos por meio das lentes da teoria de metacomunidades, no qual o efeito dos processos locais (processos determinísticos, teoria do nicho ecológico) e regionais (processos estocásticos, teoria neutra) são destacados como os principais preditores do fitoplâncton. O objetivo deste trabalho foi avaliar o efeito de preditores ambientais locais, espaciais e de paisagem sobre a comunidade fitoplanctônica em lagos da planície de inundação do Rio Araguaia. Avaliamos as seguintes questões: (i) Qual é a importância específica das características físicas e químicas da água (preditores ambientais locais), dos processos dispersivos (preditores espaciais) e do uso e ocupação do solo (preditores de paisagem) na estrutura da metacomunidade fitoplanctônica, tanto para grupos taxonômicos quanto funcionais? (ii) O tamanho do buffer usado na medição do uso e da ocupação do solo ao redor das unidades de amostragem mostra diferenças na previsão da comunidade fitoplanctônica? Todos os preditores explicaram a estrutura do fitoplâncton, mas os espaciais foram os mais importantes. Os buffers mostraram diferentes habilidades preditivas, com a classificação taxonômica sendo relacionada a tamanhos maiores de buffers e grupos funcionais, o oposto. A grande influência dos preditores espaciais pode ser explicada pela dinâmica fonte-sumidouro, em que a dispersão é tão forte que pode diminuir os efeitos dos preditores locais e garantir um grande fluxo de organismos para as comunidades de sumidouros. Em conclusão, foi demonstrado que os processos dispersivos influenciam fortemente a estruturação espacial da metacomunidade de fitoplâncton e destacamos a necessidade de considerar o tamanho dos buffers ao avaliar o efeito da paisagem sobre as comunidades de fitoplâncton.

Genetic variability and population structure of the Montezuma quail (Cyrtonyx montezumae) in the northern limit of its distribution.

Restricted movement among populations decreases genetic variation, which may be the case for the Montezuma quail (Cyrtonyx montezumae), a small game bird that rarely flies long distances. In the northern limit of its distribution, it inhabits oak-juniper-pine savannas of Arizona, New Mexico, and Texas. Understanding genetic structure can provide information about the demographic history of populations that is also important for conservation and management. The objective of this study was to determine patterns of genetic variation in Montezuma quail populations using nine DNA microsatellite loci. We genotyped 119 individuals from four study populations: Arizona, Western New Mexico, Central New Mexico, and West Texas. Compared to other quail, heterozygosity was low (H¯0 = 0.22 ± 0.04) and there were fewer alleles per locus (A = 2.41 ± 0.27). The global population genetic differentiation index RST = 0.045 suggests little genetic structure, even though a Bayesian allocation analysis suggested three genetic clusters (K = 3). This analysis also suggested admixture between clusters. Nevertheless, an isolation-by-distance analysis indicates a strong correlation (r = 0.937) and moderate evidence (P = 0.032) of non-independence between geographical and genetic distances. Climate change projections indicate an increase in aridity for this region, especially in temperate ecosystems where the species occurs. In this scenario, corridors between the populations may disappear, thus causing their complete isolation.

Seed removal by the squirrel Notocitellus adocetus (Rodentia: Sciuridae) in Western México

Introduction: Seed dispersal and seed predation have important impacts on plant diversity and community structure. Rodents participate in both of these types of interactions. Objectives: To evaluate the removal of the seeds of Crescentia alata, Randia capitata, and Zea mays by the squirrel Notocitellus adocetus to determine how it affects these plant species, by dispersing or preying on their seeds. Methods: We studied 14 individuals for C. alata, 24 for R. capitata, and for Z. mays 35 individuals. We observed foraging and used camera traps to determine the part of the fruit (seed and/or pulp) consumed by the squirrels and the amount of fruit or seed consumed. We also placed fine sand traps (FST) to measure the percentage of seed removal. We quantified the fruits produced by the plant species studied and the percentage of damage caused by N. adocetus throughout the plots. Results: Notocitellus adocetus feeds on the seeds and pulp of C. alata and Z. mays. The species with the highest removal rate and the highest percentage of damage was C. alata. Zea mays was the plant species that had the highest percentage of removal from FST, the largest number of fruits, and the lowest percentage of damage. On FST, R. capitata had the lowest seed remotion. Conclusions: Notocitellus adocetus is considered a seed predator; however, due to its behavior and the characteristics of the fruits of C. alata and R. capitata, this rodent could make the seeds available to secondary seed dispersers.

Introducción: La dispersión y depredación de semillas tienen efectos importantes en la diversidad de plantas y estructura de las comunidades. Los roedores participan en estos tipos de interacciones. Objetivos: Evaluar la remoción de semillas de Crescentia alata, Randia capitata y Zea mays por la ardilla Notocitellus adocetus, para determinar su efecto en estas especies de plantas, dispersando o depredando semillas. Métodos: Estudiamos 14 individuos de C. alata, 24 para R. capitata y 35 individuos para Z. mays. Observamos el forrajeo y usamos cámaras trampas para determinar la parte del fruto (semilla y/o pulpa) consumida y la intensidad de consumo por las ardillas. También colocamos trampas de arena fina (FST) para medir el porcentaje de remoción de semillas. Cuantificamos los frutos producidos por las especies estudiadas y el porcentaje de daño ocasionado por N. adocetus, mediante parcelas. Resultados: Notocitellus adocetus se alimenta de las semillas y pulpa de C. alata y Z. mays. La especie que tuvo mayor tasa de remoción y mayor porcentaje de daño fue C. alata. La especie con mayor porcentaje de remoción, mayor número de frutos y menor daño en las FST fue Z. mays. En las trampas de arena fina, R. capitata tuvo la menor remoción de semillas. Conclusiones: Notocitellus adocetus es considerada depredadora de semillas, no obstante, por su comportamiento y las características de los frutos de C. alata y R. capitata, este roedor podría dejar disponibles las semillas a dispersores secundarios de semillas.

Spatio-temporal variation of seed rain between urban and rural fragments of humid tropical forests / Variación espacio-temporal de la lluvia de semillas entre fragmentos urbanos y rurales de bosques tropicales húmedos

Introduction: The type of land use surrounding the remnants of tropical forest may generate changes in the characteristics of plant populations and communities. Consequently, there may be a significant reduction in processes of pollination and diasporas dispersion. Therefore, causing changes in some parameters of seed rain. Objective: To characterize and compare seed density, species richness, floristic composition, habit, dispersal syndrome, and successional category of seed rain between urban and rural fragments of Atlantic Forest, in the 2015 and 2016 weather seasons. Methods: The study areas were defined after mapping and quantification of urban and rural occupations around the remnants, based on satellite images. In each fragment, were installed 36 collectors of 0.25 m2. The material was collected monthly during two consecutive years. Results: Seed rain richness was higher in the urban fragment during the rainy season in the two years, whereas it was similar between the fragments in the dry season. The seed density in the rural fragment was higher than in the urban during the rainy season; did not vary in urban between years or between seasons; and it was higher in the rural fragment in the rainy season of one year. There was a difference in the floristic composition of the seed rain between the fragments along time. The variations in the functional attributes of habit, dispersal syndrome, and successional category, were explained by the variables fragment, season, and year. Conclusions: Differences in the characteristics of the seed rain between the fragments might reflect the spatial and temporal heterogeneity, due to the diverse uses of the soil and external pressures (anthropogenic actions) present in the surroundings of the forest fragments and temporal variation in precipitation.

Introducción: El tipo de uso del suelo que rodea los remanentes de bosque tropical puede generar cambios en las características de las poblaciones y comunidades vegetales. En consecuencia, puede haber una reducción significativa en los procesos de polinización y dispersión de las diásporas. Por lo tanto, provocando cambios en algunos parámetros de la lluvia de semillas. Objetivo: Caracterizar y comparar la densidad de semillas, la riqueza de especies, la composición florística, el hábito, el síndrome de dispersión y la categoría sucesional de la lluvia de semillas entre fragmentos urbanos y rurales de Mata Atlántica, en las estaciones climáticas del 2015 y 2016. Métodos: Las áreas de estudio se definieron luego del mapeo y cuantificación de las ocupaciones urbanas y rurales alrededor de los remanentes, con base en imágenes satelitales. En cada fragmento se instalaron 36 colectores de 0.25 m2. El material fue recolectado mensualmente durante dos años consecutivos. Resultados: La riqueza de lluvia de semillas fue mayor en el fragmento urbano durante la estación lluviosa en los dos años, mientras que fue similar entre los fragmentos en la estación seca. La densidad de semillas en el fragmento rural fue mayor que en el urbano durante la estación lluviosa; no varió en urbano entre años o entre estaciones; y fue mayor en el fragmento rural en la estación lluviosa del primer año. Hubo una diferencia en la composición florística de la lluvia de semillas entre los fragmentos a lo largo del tiempo. Las variaciones en los atributos funcionales de hábito, síndrome de dispersión y categoría sucesional, fueron explicadas por las variables fragmento, estación y año. Conclusiones: Las diferencias en las características de la lluvia de semillas entre los fragmentos podrían reflejar la heterogeneidad espacial y temporal, debido a los diversos usos del suelo y presiones externas (acciones antropogénicas) presentes en el entorno de los fragmentos de bosque y variación temporal de la precipitación.

Effects of Terbufos (Organophosphate) on Larval Behaviour of Two Forensically Important Diptera Species: Contributions for Entomotoxicology.

Neurotoxicant compounds interfere with the behaviour and biology of insects, significantly altering their locomotion patterns. However, little is known about the effect of organophosphates, neurotoxicants for agricultural, domestic and industrial use, on the larval movement of necrophagous flies, although being responsible for frequent cases of poisoning and accidental or intentional deaths. Thus, we aimed to study the influence of Terbufos (organophosphate) on the activity and mobility patterns of Lucilia eximia (Wiedemann 1819) (Calliphoridae) and Peckia (Peckia) chrysostoma (Wiedemann 1830) (Sarcophagidae) immatures collected from rat carcasses intoxicated with 5, 10 or 20 mg/kg of Terbufos, to evaluate (i) peristaltic movements and body contractions, and (ii) distance and shape of the trajectory travelled by the larva. Behavioural parameters were analysed in loco and through videos. We observed that the presence of Terbufos altered poisoned larvae's activity and body mobility in both taxon and dose-dependent manner. Lucilia eximia larvae were more active, with greater frequency of body movements and lateral contractions when intoxicated with high and intermediate doses of Terbufos. On the other hand, P. (P.) chrysostoma immatures were less active, with fewer body and lateral contractions when intoxicated with the high dose of the compound. This work experimentally demonstrates that the presence of Terbufos can alters the mobility and movement of intoxicated necrophagous Diptera, essential components of the cadaveric fauna.

Tar balls as a floating substrate for long-distance species dispersal.

Recent arrivals of tar balls have been observed in several tropical beaches associated with the oceanic circulation that flows to the Brazilian continental shelf. Between August and September 2022, tar balls were collected in the northeastern coast of Brazil and analyzed. Nearly 90 % of the oils were colonized by barnacles, polychaetes, decapods, and algae. Most rafting organisms were Lepas anserifera with capitulum measuring 0.32 to 22.21 mm. Based on the growth rate of barnacles and the speed of the SEC it was estimated that tar balls were floating since July and August 2022 and traveled a maximum of 1938.82 km. The organisms and tar balls' possible origin is in the international waters, near to the meso-Atlantic ridge, known for oil tanker traffic. The tar balls, in addition to the oil-related impacts, can act as a vector of long-distance species dispersion, and it needs to raise an alert, considering the possible ecological impacts.

Typing of Candida spp. from Colonized COVID-19 Patients Reveal Virulent Genetic Backgrounds and Clonal Dispersion.

Advances in the knowledge of the pathogenesis of SARS-CoV-2 allowed the survival of COVID-19 patients in intensive care units. However, due to the clinical characteristics of severe patients, they resulted in the appearance of colonization events. Therefore, we speculate that strains of Candida spp. isolated from COVID-19 patients have virulent genetic and phenotypic backgrounds involved in clinical worsening of patients. The aim of this work was to virutype Candida spp. strains isolated from colonized COVID-19 patients, analyze their genomic diversity, and establish clonal dispersion in care areas. The virulent potential of Candida spp. strains isolated from colonized COVID-19 patients was determined through adhesion tests and the search for genes involved with adherence and invasion. Clonal association was done by analysis of intergenic spacer regions. Six species of Candida were involved as colonizing pathogens in COVID-19 patients. The genotype analysis revealed the presence of adherent and invasive backgrounds. The distribution of clones was identified in the COVID-19 care areas, where C. albicans was the predominant species. Evidence shows that Candida spp. have the necessary genetic tools to be able colonize the lungs, and could be a possible causal agent of coinfections in COVID-19 patients. The detection of dispersion of opportunistic pathogens can be unnoticed by classical epidemiology. Epidemiological surveillance against opportunistic fungal pathogens in COVID-19 patients is an immediate need, since the findings presented demonstrate the potential virulence of Candida spp.

Using Thermomechanical Properties to Reassess Particles' Dispersion in Nanostructured Polymers: Size vs. Content.

Nanoparticle-filled polymers (i.e., nanocomposites) can exhibit characteristics unattainable by the unfilled polymer, making them attractive to engineer structural composites. However, the transition of particulate fillers from the micron to the nanoscale requires a comprehensive understanding of how particle downsizing influences molecular interactions and organization across multiple length scales, ranging from chemical bonding to microstructural evolution. This work outlines the advancements described in the literature that have become relevant and have shaped today's understanding of the processing-structure-property relationships in polymer nanocomposites. The main inorganic and organic particles that have been incorporated into polymers are examined first. The commonly practiced methods for nanoparticle incorporation are then highlighted. The development in mechanical properties-such as tensile strength, storage modulus and glass transition temperature-in the selected epoxy matrix nanocomposites described in the literature was specifically reviewed and discussed. The significant effect of particle content, dispersion, size, and mean free path on thermomechanical properties, commonly expressed as a function of weight percentage (wt.%) of added particles, was found to be better explained as a function of particle crowding (number of particles and distance among them). From this work, it was possible to conclude that the dramatic effect of particle size for the same tiny amount of very small and well-dispersed particles brings evidence that particle size and the particle weight content should be downscaled together.

NMR Relaxation Dispersion Experiments to Study Phosphopeptide Recognition by SH2 Domains: The Grb2-SH2-Phosphopeptide Encounter Complex.

Protein interactions are at the essence of life. Proteins evolved not to have stable structures, but rather to be specialized in participating in a network of interactions. Every interaction involving proteins comprises the formation of an encounter complex, which may have two outcomes: (i) the dissociation or (ii) the formation of the final specific complex. Here, we present a methodology to characterize the encounter complex of the Grb2-SH2 domain with a phosphopeptide. This method can be generalized to other protein partners. It consists of the measurement of 15N CPMG relaxation dispersion (RD) profiles of the protein in the free state, which describes the residues that are in conformational exchange. We then acquire the dispersion profiles of the protein at a semisaturated concentration of the ligand. At this condition, the chemical exchange between the free and bound state leads to the observation of dispersion profiles in residues that are not in conformational exchange in the free state. This is due to fuzzy interactions that are typical of the encounter complexes. The transient "touching" of the ligand in the protein partner generates these new relaxation dispersion profiles. For the Grb2-SH2 domain, we observed a wider surface at SH2 for the encounter complex than the phosphopeptide (pY) binding site, which might explain the molecular recognition of remote phosphotyrosine. The Grb2-SH2-pY encounter complex is dominated by electrostatic interactions, which contribute to the fuzziness of the complex, but also have contribution of hydrophobic interactions.

Effects of Larrea nitida nanodispersions on the growth inhibition of phytopathogens.

Larrea nitida Cav. (Zygophyllaceae) is a plant endemic to Argentina and Chile, and its extract has been studied over the last years due to the presence of antimicrobial agents that can be used to control the growth of some pathogens in agriculture. However, the extract is highly hydrophobic, which strongly affects its fungicidal activity in aqueous media. In this sense, the solid dispersion technique was used to produce L. nitida extract nanodispersions with polyethylene glycol (PLE) and with polyethylene glycol and zinc acetate (PZLE). In order to further evaluate the activity of the extract in PLE and PZLE, blank nanodispersions containing only polyethylene glycol (PEG) and zinc acetate (PZ) without the addition of the extract were also produced. The fungicidal activity of the water-soluble nanoparticles was evaluated at different concentrations (0.037-0.110 g.mL-1). In general, the nanoparticles were successfully produced on a nanometric size and presented a significant inhibitory activity on the growth of the pathogens Fusarium oxysporum and Fusarium verticillioides in aqueous media. Compared to PLE, PZLE presented increased fungistatic activity, possibly due to their increased solubility in water. Even though their application in agriculture should be further investigated, the nanodispersions present great potential to be applied as a green biotechnological tool.

Integrated analysis of marine biotoxins and contaminants of emerging concern in bivalve mollusks from Santa Catarina, Brazil.

Santa Catarina is the main producer state of oysters and mussels in Brazil, reaching 98 % of national production. To assure the safety of bivalve mollusks production, control programs of marine biotoxins (MBs) have been continuously performed. Herein, the co-occurrence of MBs and contaminants of emerging concern (CECs) in oyster and mussels from the main production sites of Santa Catarina was reported, covering 178 compounds. Samples of wild and non-cultivated oysters and mussels were also assessed. Chemometric tools were used to evaluate and optimize several sample preparation techniques such as solid-liquid, ultrasound assisted, and pressurized liquid extraction. The optimized protocol was based on ultrasound assisted extraction followed by liquid chromatography coupled to tandem mass spectrometry. The results showed the incidence of several CECs and MBs. In the case of MBs, all results were below the regulatory limits for both cultivated and non-cultivated samples. Wild mollusks have shown a higher number of compounds. Regarding CECs, the more frequent compounds were caffeine, diclofenac, meloxicam, and sertraline. Domoic acid and okadaic acid were the main toxins detected. The results highlighted the need of monitoring for MBs and the potential of oyster and mussels as sentinel organisms to risk analysis of CECs in coastal regions. To the best of our knowledge, this is the first method to describe a simultaneous sample preparation and analysis of CECs and MBs in bivalve mollusks, as well as the first report of meloxicam and florfenicol in mussels and oysters.

Development of Lipid Polymer Hybrid Drug Delivery Systems Prepared by Hot-Melt Extrusion.

This study sought to develop polymer-lipid hybrid solid dispersions containing the poorly soluble drug lopinavir (LPV) by hot-melt extrusion (HME). Hence, the lipid and polymeric adjuvants were selected based on miscibility and compatibility studies. Film casting was used to assess the miscibility, whereas thermal, spectroscopic, and chromatographic analyses were employed to evaluate drug-excipient compatibility. Extrudates were obtained and characterized by physicochemical tests, including in vitro LPV dissolution. Preformulation studies led to select the most appropriate materials, i.e., the polymers PVPVA and Soluplus®, the plasticizers polyethylene glycol 400 and Kolliphor® HS15, phosphatidylcholine, and sodium taurodeoxycholate. HME processing did not result in LPV degradation and significantly increased entrapment efficiency (93.8% ± 2.8 for Soluplus® extrudate against 19.8% ± 0.5 of the respective physical mixture). LPV dissolution was also increased from the extrudates compared to the corresponding physical mixtures (p < 0.05). The dissolution improvement was considerably greater for the Soluplus®-based formulation (24.3 and 2.8-fold higher than pure LPV and PVPVA-based extrudate after 120 min, respectively), which can be attributed to the more pronounced effects of HME processing on the average size and LPV solid-state properties in the Soluplus® extrudates. Transmission electron microscopy and chemical microanalysis suggested that the polymer-lipid interactions in Soluplus®-based formulation depended on thermal processing.