Unexpected discovery: "A new 3,3'-bipyrazolo[3,4-b]pyridine scaffold and its comprehensive analysis".

In this study, a novel 3,3'-bipyrazolo [3,4-b]pyridine-type structure was synthesized from 5-acetylamino-3-methyl-1-phenylpyrazole using the Vilsmeier-Haack reaction as a key step. The spectroscopic properties and structural elucidation of the compound were determined with the use of FT-IR, HRMS, 1H NMR, and 13C NMR. Likewise, the theoretical analysis of the IR and NMR spectra allowed peaks to be assigned and a solid correlation was demonstrated between the experimental and theoretical results. Finally, ab initio calculations based on the density functional theory method at the B3LYP/6-311G (d,p) level of theory were used to determine the conformational energy barrier, facilitating the identification of the most probable conformers of the synthesized compound. Overall, our findings contribute to the understanding of bipyrazolo [3,4-b]pyridine derivatives.

Adding mechanobiological cell features to finite element analysis of an immediately loaded dental implant.

Finite element analysis (FEA) has been used to analyze the behavior of dental materials, mainly in implantology. However, FEA is a mechanical analysis and few studies have tried to simulate the biological characteristics of the healing process of loaded implants. This study used the rule of mixtures to simulate the biological healing process of immediate implants in an alveolus socket and bone-implant junction interface through FEA. Three-dimensional geometric models of the structures were obtained, and material properties were derived from the literature. The rule of mixtures was used to simulate the healing periods-immediate and early loading, in which the concentration of each cell type, based on in vivo studies, influenced the final elastic moduli. A 100 N occlusal load was simulated in axial and oblique directions. The models were evaluated for maximum and minimum principal strains, and the bone overload was assessed through Frost's mechanostat. There was a higher strain concentration in the healing regions and cortical bone tissue near the cervical portion. The bone overload was higher in the immediate load condition. The method used in this study may help to simulate the biological healing process and could be useful to relate FEA results to clinical practice.

Synthesis of pyrimido[4,5-b]quinolindiones and formylation: ultrasonically assisted reactions.

Ultrasound-assisted synthesis of pyrimido|quinolindione derivatives via a multicomponent reaction and subsequent formylation with Vilsmeier-Haack reagent were performed. Compounds were prepared by a one-pot method from aminopyrimidinones, dimedone and aromatic aldehydes through a Mannich-type reaction sequence, and then functionalized under ultrasound irradiation and Vilsmeier-Haack conditions to give ß-chlorovinylaldehyde products. Ultrasonically assisted reactions, experimental simplicity, good yields without using metallic catalysts and the control of hazardous material release are features of this simple procedure.

Multiplet-Assisted Peak Alignment for 1H NMR-Based Metabolomics.

NMR-based metabolomics aims at recovering biological information by comparing spectral data from samples of biological interest and appropriate controls. Any statistical analysis performed on the data matrix relies on the proper peak alignment to produce meaningful results. Through the last decades, several peak alignment algorithms have been proposed, as well as alternatives like spectral binning or strategies for annotation and quantification, the latter depending on reference databases. Most of the alignment algorithms, mainly based on segmentation of the spectra, present limitations for regions with peak overlap or cases of frequency order exchange. Here, we present our multiplet-assisted peak alignment algorithm, a new methodology that consists of aligning peaks by matching multiplet profiles of f1 traces from J-resolved spectra. A correspondence matrix with the linked f1 traces is built, and multivariate data analysis can be performed on it to obtain useful information from the data, overcoming the issues of peak overlap and frequency crossovers. Statistical total correlation spectroscopy can be applied on the matrix as well, toward a better identification of molecules of interest. The results can be queried on one-dimensional (1D) 1H databases or can be directly coupled to our previously published Chemical Shift Multiplet Database.

Effect of environmental variables on mercury accumulation in sediments of an anthropogenically impacted tropical estuary (Buenaventura Bay, Colombian Pacific).

Estuaries are the main entry areas of mercury to the marine environment and are important to understand the effect of this contaminant on marine organisms, since it accumulates in the sediments becoming available to enter the food trophic chain. This study aims to determine the environmental variables that mainly influence the spatiotemporal dynamics of total mercury accumulation in sediments of tropical estuaries. Sediment samples were collected from interior and exterior areas of the estuary during the dry and rainy seasons, representing the spatiotemporal gradients of the estuary. The grain size, organic matter content (OM), and total mercury concentration (THg) of the sediment samples were determined. In addition, salinity, temperature, dissolved oxygen, and pH of the water column associated with each sediment sample were assessed. The variations in environmental conditions, OM and THg in sediment were in accordance with a gradient which goes from conditions influenced by fresh water in the inner estuary to conditions influenced by sea water in the outer part of the estuary. The OM and THg in sediments presented similar variation patterns; they were higher in the rainy season than in the dry season and in the interior area of the estuary than in the exterior area. Despite the complex dynamic observed in the distribution and accumulation processes of mercury in sediments, these processes could be modeled from OM and salinity parameters. Due to the correlations found, in the process of accumulation of mercury in sediments the OM could represents the pathway of transport and accumulation of THg, and salinity could represent the influence of the hydroclimatic variations and environmental gradients of the estuary.

Diferencias de sexo asociadas al suicidio y años potenciales de vida perdidos: un estudio retrospectivo

Objetivo: Identificar las diferencias de sexo asociadas a los años potenciales de vida perdidos por suicidio en el departamento de Nariño, periodo 2005-2019. Metodología: Estudio de tipo descriptivo observacional y retrospectivo, en el que se analizaron 1686 certificados de defunción por suicidio de hombres y mujeres en el departamento de Nariño, identificados en el Departamento Nacional Administrativo de Estadística. Resultados: En el periodo 2005-2019, se observaron 1212 suicidios en hombres y 474 en mujeres. Estas se suicidaron a edades más bajas que aquellos. El 50,5 % de los hombres habían cursado básica primaria, y el 46,0 % de las mujeres, básica secundaria. El mayor número de casos de suicidios en hombres y mujeres se presentaron en el área urbana (51,2 % y 45,1 % respectivamente). El envenenamiento fue el mecanismo de suicidio más utilizado por las mujeres (66,7 %), y para los hombres, el mayor porcentaje (41,7) correspondió al ahorcamiento. La tendencia anual de muertes por suicidio fue mayor en hombres que en mujeres. En aquellos, la tasa de suicidio se situó por encima de 4,5 suicidios por 100 000 habitantes, mientras que, en ellas, se mantuvo por debajo de 3,0. Conclusiones: Hubo un aumento en la tendencia de muertes en el periodo de tiempo analizado y el riesgo de morir por suicidio en el hombre fue 3,9 veces el riesgo de morir en una mujer. El estudio contempla importantes aspectos para ser abordados en la prevención del suicidio.

Objective: To identify the sex differences associated with the potential years of life lost due to suicide in the department of Nariño, from 2005 to 2019. Methodology: Descriptive, observational and retrospective study, in which 1686 death certificates by suicide of men and women in the department of Nariño, identified in the National Administrative Department of Statistics, were analyzed. Results: From 2005 to 2019, 1,212 suicide cases of men were observed and 474 of women. Women committed suicide at younger ages than men. 50.5% of the men had completed primary school, and 46.0% of the women, secondary school. The highest number of suicide cases of men and women occurred in the urban area (51.2% and 45.1% respectively). Poisoning was the suicide mechanism most used by women (66.7%), and for men, the highest percentage (41.7) corresponded to hanging. The annual trend of deaths by suicide was higher in men than in women. For men, the suicide rate was above 4.5 suicides per 100,000 inhabitants, while for women, it remained below 3.0. Conclusions: There was an increase in the trend of deaths in the period analyzed and the risk of dying by suicide in men was 3.9 times the risk of dying by suicide in women. The study contemplates important aspects to be addressed in suicide prevention.

Objetivo: Identificar as diferenças de sexo associadas aos anos potenciais de vida perdidos por suicídio no departamento de Nariño, no período 2005-2019. Metodologia: Estudo de tipo descritivo observacional e retrospectivo, em que foram analisados 1686 certificados de óbito por suicídio de homens e mulheres no departamento de Nariño, identificados no Departamento Nacional Administrativo de Estatística. Resultados: No período de 2005-2019, observaram-se 1212 suicídios em homens e 474 em mulheres. Elas suicidaram-se em idades menores do que eles. O 50,5% dos homens cursaram o ensino fundamental, e o 46% das mulheres o ensino médio. O maior número de casos de suicídios em homens e mulheres apresentou-se na área urbana (51,2% y 45,1%, respectivamente). O envenenamento foi o mecanismo de suicídio mais utilizado pelas mulheres (66,7%), e para os homens, a maior percentagem (41,7%) correspondeu ao enforcamento. A tendência anual de mortes por suicídio foi maior em homens do que em mulheres. Neles, a taxa de suicídio esteve por cima de 4,5 suicídios por 100.000 habitantes, enquanto nelas se manteve abaixo de 3,0. Conclusões: Houve um aumento na tendência de mortes no período de tempo analisado e o risco de morrer por suicídio no caso dos homens foi 3,9 vezes o risco de morrer de uma mulher. O estudo contempla aspectos importantes a serem abordados na prevenção do suicídio.

Heat tolerance of marine ectotherms in a warming Antarctica.

Global warming is affecting the Antarctic continent in complex ways. Because Antarctic organisms are specialized to living in the cold, they are vulnerable to increasing temperatures, although quantitative analyses of this issue are currently lacking. Here we compiled a total of 184 estimates of heat tolerance belonging to 39 marine species and quantified how survival is affected concomitantly by the intensity and duration of thermal stress. Species exhibit thermal limits displaced toward colder temperatures, with contrasting strategies between arthropods and fish that exhibit low tolerance to acute heat challenges, and brachiopods, echinoderms, and molluscs that tend to be more sensitive to chronic exposure. These differences might be associated with mobility. A dynamic mortality model suggests that Antarctic organisms already encounter temperatures that might be physiologically stressful and indicate that these ecological communities are indeed vulnerable to ongoing rising temperatures.

El calentamiento global está afectando al continente antártico de formas complejas. Dado que los organismos antárticos están especializados a vivir en el frío, son vulnerables al aumento de las temperaturas, aunque en la actualidad hay carencia de análisis cuantitativos al respecto. Aquí recopilamos un total de 184 estimaciones de tolerancia al calor pertenecientes a 39 especies marinas, y cuantificamos cómo la supervivencia de estos organismos se ve afectada concomitantemente por la intensidad y la duración de un estrés térmico. Efectivamente las especies antárticas muestran límites térmicos desplazados hacia temperaturas más frías, con estrategias contrastadas entre los artrópodos y los peces que muestran una baja tolerancia a los desafíos térmicos agudos, y los braquiópodos, equinodermos y moluscos que tienden a ser más sensibles a la exposición crónica. Estas diferencias podrían estar asociadas con la movilidad. Un modelo dinámico de mortalidad sugiere que los organismos antárticos ya se enfrentan a temperaturas que podrían ser fisiológicamente estresantes e indican que estas comunidades ecológicas son realmente vulnerables al aumento continuo de las temperaturas.

Influence of environmental variables on the spatiotemporal dynamics of water quality in Buenaventura Bay, Colombian Pacific.

Tropical estuaries are productive dynamic ecosystems where water quality is mediated by physicochemical and biological processes and by fluvial and anthropogenic discharges. The objective of the study was to determine the influence of environmental variables on the spatiotemporal dynamics of water quality in Buenaventura Bay, which is a highly impacted estuary. Sampling was carried out during the dry and rainy season, at three depths, in four stations that represent the environmental gradient of the bay. Temperature, total dissolved solids, salinity, dissolved oxygen, and pH were determined for each sample. In addition, alkalinity, phosphates, nitrites, and nitrates as indicators of water quality were also measured. The estuary was classified as meso- and polyhaline, with appropriate oxygen and pH conditions and spatiotemporal gradients of temperature and solids mediated by river discharges. Significant variations were found in the physicochemical variables by season, with maximum salinity, pH, and solids in the dry season and oxygen and temperature in the rainy season. Likewise, most of these environmental variables were higher in the outer zone of the estuary and lower in the inner stations. Alkalinity and nitrite values were within the permitted ranges, while phosphates and nitrates indicated low water quality. There was a significant direct influence of temperature and oxygen on alkalinity and nitrites. However, for phosphates, no significant influence of environmental variables was found, suggesting a greater influence by fluvial and anthropogenic discharges, which produce a decrease in the environmental quality of the estuary.

Sad and degenerate indigenous: the psychiatric view of Hermilio Valdizán on racial difference in Peru, 1910-1925. / Indígenas tristes y degenerados: la mirada psiquiátrica de Hermilio Valdizán sobre la diferencia racial en Perú, 1910-1925.

Hermilio Valdizán published several papers on what was called psychiatric folklore, understood as the ways of understanding and treating mental illnesses by indigenous people, both from the colonial and pre-Hispanic past and from the author's present. In this article, we analyze Valdizán's texts on the psychiatric and psychological characteristics of indigenous Peruvians. From the perspective of this psychiatrist, contemporary indigenous people were archaeological remains of the ancient Inca empire, ruins in the process of degeneration. In a context marked by indigenism, in which it was sought to integrate the Indians, psychiatry played a conservative and racist role that reproduced evolutionary models of the nineteenth century.

Hermilio Valdizán publicó numerosos trabajos sobre lo que se denominó folklor psiquiátrico, entendido como las formas de comprender y tratar las enfermedades mentales por parte de los indígenas, tanto del pasado colonial y prehispánico como del presente del autor. En este artículo analizamos los textos de Valdizán sobre las características psiquiátricas y psicológicas de los indígenas peruanos. Desde la perspectiva de este psiquiatra, los indígenas contemporáneos eran restos arqueológicos del antiguo imperio inca, ruinas en proceso de degeneración. En un contexto marcado por el indigenismo donde se buscaba integrar al indio, la psiquiatría desempeñó un papel conservador y racista que reprodujo modelos evolucionistas del siglo XIX.

Indígenas tristes y degenerados: la mirada psiquiátrica de Hermilio Valdizán sobre la diferencia racial en Perú, 1910-1925 / Sad and degenerate indigenous: the psychiatric view of Hermilio Valdizán on racial difference in Peru, 1910-1925

Resumen Hermilio Valdizán publicó numerosos trabajos sobre lo que se denominó folklor psiquiátrico, entendido como las formas de comprender y tratar las enfermedades mentales por parte de los indígenas, tanto del pasado colonial y prehispánico como del presente del autor. En este artículo analizamos los textos de Valdizán sobre las características psiquiátricas y psicológicas de los indígenas peruanos. Desde la perspectiva de este psiquiatra, los indígenas contemporáneos eran restos arqueológicos del antiguo imperio inca, ruinas en proceso de degeneración. En un contexto marcado por el indigenismo donde se buscaba integrar al indio, la psiquiatría desempeñó un papel conservador y racista que reprodujo modelos evolucionistas del siglo XIX.

Abstract Hermilio Valdizán published several papers on what was called psychiatric folklore, understood as the ways of understanding and treating mental illnesses by indigenous people, both from the colonial and pre-Hispanic past and from the author's present. In this article, we analyze Valdizán's texts on the psychiatric and psychological characteristics of indigenous Peruvians. From the perspective of this psychiatrist, contemporary indigenous people were archaeological remains of the ancient Inca empire, ruins in the process of degeneration. In a context marked by indigenism, in which it was sought to integrate the Indians, psychiatry played a conservative and racist role that reproduced evolutionary models of the nineteenth century.

Presence of periodontal pathogenic bacteria in blood of patients with coronary artery disease.

It has been hypothesised that oral bacteria can migrate, through the blood, from the mouth to the arterial plaques, thus exacerbating atherosclerosis. This study compared bacteria present in the peripheral blood of individuals with and without coronary artery disease (CAD). RNA sequences obtained from blood were downloaded from GEO (GSE58150). Eight patients with coronary artery calcification (CAC) scoring > 500 and eight healthy individuals were analysed. After conducting quality control, the sequences were aligned to the hg38 reference genome using Hisat2. Bacterial taxa were analysed by inputting the unmapped sequences into Kraken. Ecological indices were calculated using Vegan. The package DESeq2 was used to compare the counts of bacteria per standard rank between groups. A total of 51 species were found only in patients with CAD and 41 were exclusively present in healthy individuals. The counts of one phylum, one class, three orders, two families and one genus were significantly different between the analysed groups (p < 0.00032, FDR < 10%), including the orders Cardiobacteriales, Corynebacteriales and Fusobacteriales. Twenty-three bacterial species belonging to the subgingival plaque bacterial complexes were also identified in the blood of individuals from both the groups; Fusobacterium nucleatum was significantly less frequent in patients with CAD (p = 0.0012, FDR = 4.8%). Furthermore, the frequency of another 11 bacteria differed significantly among patients with CAD than that among healthy individuals (p < 0.0030, FDR < 10%). These bacteria have not been previously reported in patients with atherosclerosis and periodontitis. The presence of members of the subgingival plaque bacterial complexes in the blood of patients with CAC supports the hypothesis that the periodontopathogens can be disseminated through the blood flow to other body parts where they may enhance inflammatory processes that can lead to the development or exacerbation of atherosclerosis.

Influence of water quality on the macroinvertebrate community in a tropical estuary (Buenaventura Bay).

The anthropogenic discharges of inorganic nutrients impact water quality, affecting the macroinvertebrate assemblage and food safety. The main objective of this study was to examine the seawater quality and macroinvertebrate dynamics in muddy habitats of Buenaventura Bay, Colombian Pacific. Macroinvertebrates were captured using artisanal trawl nets during different seasons and along four sampling sites. Multivariate analyses (canonical correspondence analysis and generalized additive model) were used to assess the effects of variations in nitrite, nitrates, phosphate concentrations, and physicochemical variables (salinity, pH, dissolved oxygen [DO], temperature, and total dissolved solids [TDS]) of water on the macroinvertebrate assemblage. Richness was the highest at sites with high salinity and temperature and low concentrations of nitrites and TDS. The densities of the commercial shrimp species Xiphopenaeus riveti and Rimapenaeus byrdi were the highest at sites with higher DO and alkalinity, and lower nitrate concentrations. The swimming crab Callinectes arcuatus was dominant at sites with low water quality. In summary, in the transitional season and at the inner sites of Buenaventura Bay, it was observed the lowest water quality due to high nitrate concentration. High nitrate concentration was highlighted as the main anthropogenic factor that could decrease the capture of target macroinvertebrate species for food and livelihoods of artisanal fishermen and their families. Thus, macroinvertebrate communities may be vulnerable to increased inorganic nutrient inputs, which could affect estuarine water quality and ecosystems services. Integr Environ Assess Manag 2022;18:796-812. © 2021 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

Hábitos alimentarios de tres especies de peces lenguados (Pleuronectiformes: Achiridae) en la Bahía de Buenaventura, Pacífico Colombiano / Feeding habits of three species of sole fish (Pleuronectiformes: Achiridae) in Buenaventura Bay, Colombian Pacific

Resumen Introducción: La dinámica de las condiciones ambientales influencia la variación del alimento disponible para los organismos estuarinos, afectando el consumo de alimento de los organismos bentónicos como los lenguados, esenciales para establecer y monitorear la calidad ambiental en estos ecosistemas. Objetivo: Determinar los hábitos tróficos de tres especies de la familia Achiridae en la Bahía de Buenaventura, Pacífico colombiano. Métodos: Los peces se recolectaron por medio de pesca de arrastre artesanal. Así mismo, en laboratorio se determinó la dieta de cada una de las especies y se calcularon diferentes índices tróficos, registrando diferencias en los hábitos alimentarios entre estas especies. Resultados: Se recolectó un total de 159 peces del género Achirus, siendo la especie más abundante Achirus klunzingeri (98), luego Achirus mazatlanus (44) y finalmente Achirus scutum (17). La dieta de A. scutum se basó en detritos, la de A. mazatlanus en detritos y peces y la de A. klunzingeri en crustáceos y peces. Los individuos de A. klunzingeri presentaron diferencias en su dieta entre la zona interna y externa del estuario, en la zona interna los peces fueron la presa principal y en la zona externa fueron los crustáceos. Las especies A. klunzingeri y A. mazatlanus presentaron ingesta de microplásticos, principalmente fibras alargadas e incoloras presentes en individuos de todas las tallas. La dinámica de los hábitos tróficos de A. klunzingeri, se relacionaron con algunas variables ambientales, como temperatura, trasparencia y oxígeno disuelto. Por ejemplo, estas tres variables presentaron correlaciones negativas con el ítem peces, y positivas para la categoría crustáceos. Conclusión: Se evidenció que estas especies son generalistas y que las condiciones ambientales no solo influenciaron la dinámica del consumo alimentario, sino que también, determinaron la presencia de los microplásticos.

Abstract Introduction: The dynamic of the environmental conditions influences the availability of the food resources for the estuarine organisms, affecting the food consumption of the benthic organism such as the soles, which are essential for establishing and monitoring the environmental quality of these ecosystems. Objective: To determine the trophic habits of three species of the Achiridae family in Buenaventura Bay, Colombian Pacific. Methods: Fish were captured using artisanal trawling. Then, the diet of each species was determined and different trophic indexes were calculated registering differences in alimentary habits among species. Results: It was collected a total of 159 fishes of the genus Achirus, being the most abundant Achirus klunzingeri (98), then Achirus mazatlanus (44) and finally Achirus scutum (17). The diet of A. scutum was based on detritus, the diet of A. mazatlanus was mainly detritus and fish whereas the diet of A. klunzingeri presented a dynamic pattern based mainly on crustaceans and fish. The individuals of Achirus klunzingeri presented differences in the diet between the internal and external area of the estuary, in the internal zone the fish were the main prey while in the external zone were the crustaceans. The species A. klunzingeri and A. mazatlanus presented ingestion of microplastics, mainly elongated and colorless fibers which were present in individuals of all sizes. The dynamic of the trophic habits of A. klunzingeri was related to the environmental variables such as temperature, transparency and dissolved oxygen. For example, these three variables presented negative correlations with the item fishes, and positive for the crustacean category. Conclusions: Despite the generalist nature of the studied species, the environmental conditions, not only influenced the food consumption dynamic, but also determined the presence of microplastics.

Food insecurity and the double burden of malnutrition in Colombian rural households.

OBJECTIVE: This study aimed to examine in Colombian rural households the association between different severity levels of household food insecurity and the presence of the double burden of malnutrition (SCOWT), defined as the coexistence of a stunted child under 5 years of age and an overweight or obese (OWOB) mother. DESIGN: A secondary data analysis was conducted using cross-sectional data from the Colombian National Nutritional Survey (ENSIN) 2015. Household food insecurity status was assessed by using the Latin-American and Caribbean Food Security Scale (ELCSA). The household SCOWT status (child stunting and OWOB mother) was determined using anthropometric data from a mother and her child. SETTING: Rural Colombia. PARTICIPANTS: Totally, 2·350 mother-child pairs living in the same household. RESULTS: Sixty-two per cent of the households were food-insecure and SCOWT was present in 7·8 % of the households. Moderate (OR: 2·39, 95 % CI (1·36, 4·21)) and severe (OR: 1·86, 95 % CI (1·10, 3·15)) food insecurity was associated with SCOWT in an unadjusted logistic regression. Only moderate food insecurity remained significantly associated with SCOWT in a multivariate logistic regression (adjusted OR: 2·41, 95 % CI (1·24, 4·68)). CONCLUSIONS: Colombian rural areas are not exempt from the worldwide concern of increasing OWOB rates while stunting is still persistent. These results highlight the need of implementing double-duty rural actions targeting the most vulnerable households to SCOWT, particularly in terms of overcoming food insecurity beyond hunger satisfaction to prevent all forms of malnutrition.

Thermal effects vary predictably across levels of organization: empirical results and theoretical basis.

Thermal performance curves have provided a common framework to study the impact of temperature in biological systems. However, few generalities have emerged to date. Here, we combine an experimental approach with theoretical analyses to demonstrate that performance curves are expected to vary predictably with the levels of biological organization. We measured rates of enzymatic reactions, organismal performance and population viability in Drosophila acclimated to different thermal conditions and show that performance curves become narrower with thermal optima shifting towards lower temperatures at higher levels or organization. We then explain these results on theoretical grounds, showing that this pattern reflects the cumulative impact of asymmetric thermal effects that piles up with complexity. These results and the proposed framework are important to understand how organisms, populations and ecological communities might respond to changing thermal conditions.

Effect of water quality variation on fish assemblages in an anthropogenically impacted tropical estuary, Colombian Pacific.

In tropical estuaries, fish diversity varies spatially and temporally due to behavioral processes such as reproductive migrations, predator avoidance, and foraging, which are affected by water quality. Eutrophication is one of the main factors affecting water quality in estuaries. The objective of this study was to determine variation in fish assemblage explained by fluctuating water quality in the Buenaventura Bay. Fish were captured using artisanal trawl nets during the wet, dry, and transitional seasons at four sampling sites. Additionally, alkalinity; phosphate, nitrite, and nitrate concentrations; dissolved oxygen; pH; temperature; and suspended solids were measured. Multivariate analysis was used to assess the effect of water quality on fish assemblage. In Buenaventura Bay, the assemblage composition of Pseudupeneus grandisquamis, Daector dowi, and Citharichthys gilberti was affected by nitrate concentration. Moreover, large fish biomasses were associated with high nitrite concentration, intermediate salinity, and low dissolved oxygen, suggesting that these estuaries are dominated by species tolerant to poor water quality. Species richness was associated with low nitrate and phosphate concentrations, more suitable water quality indicators, and intermediate temperatures. These results suggest that the deteriorating water quality of estuaries as a result of the anthropogenic impact could increase dominance and decrease richness, resulting in structural changes of fish assemblages.

Consecutive Queries to Assess Biological Correlation in NMR Metabolomics: Performance of Comprehensive Search of Multiplets over Typical 1D 1H NMR Database Search.

NMR-based metabolomics requires proper identification of metabolites to draw conclusions from the system under study. Normally, multivariate data analysis is performed using 1D 1H NMR spectra, and identification of peaks (and then compounds) relevant to the classification is accomplished using database queries as a first step. 1D 1H NMR spectra of complex mixtures often suffer from peak overlap. To overcome this issue, several studies employed the projections of the (tilted and symmetrized) 2D 1H J-resolved (JRES) spectra, p-JRES, which are similar to 1D 1H decoupled spectra. Nonetheless, there are no public databases available that allow searching for chemical shift spectral data for multiplets. We present the Chemical Shift Multiplet Database (CSMDB), built utilizing JRES spectra obtained from the Birmingham Metabolite Library. The CSMDB provides scoring accounting for both matched and unmatched peaks from a query list and the database hits. This input list is generated from a projection of a 2D statistical correlation analysis on the JRES spectra, p-(JRES-STOCSY), being able to compare the multiplets for the matched peaks, in essence, the f1 traces from the JRES-STOCSY spectrum and from the database hit. The inspection of the unmatched peaks for the database hit allows the retrieval of peaks in the query list that have a decreased correlation coefficient due to low intensities. The CSMDB is coupled to "ConQuer ABC", which permits the assessment of biological correlation by means of consecutive queries with the unmatched peaks in the first and subsequent queries.

Racial degeneration, mental hygiene, and the beginning of Peruvian psychiatry, 1922-1934.

Between 1922 and 1934, three pamphlets and a series of articles on mental hygiene were published in important newspapers in Lima, Peru. Their authors were Hermilio Valdizán and Honorio Delgado, two members of the first generation of psychiatrists in the country. These mass publications aimed to educate the population on what mental illness was, as well as its causes and symptoms. In addition, they sought to promote the figure of the psychiatrist as a specialist in "madness" whose recommendations should be heeded in family life. To that end, these publications contained true cases, related in melodramatic language, in order to reach a broader audience. Beyond their educative intention, these publications used ideas that Peruvian elites held about racial differentiation, because they were aimed at White and mestizo readers and had the express intention of preventing racial "degeneration." The analysis of this primary source material is complemented with other texts by Valdizán that sought to comprehend the manifestations of insanity among Native Peruvians, for which he used degeneration theory to explain the degree of "backwardness" observed among the races that were considered inferior. This article seeks to analyze the viewpoints held on racial differences by the most significant members of Peru's first generation of psychiatrists, in which degeneration theory was key in explaining the differences between human groups and in justifying the superiority of Whites and Western culture in the Peruvian state's mestizo identity initiative. (PsycINFO Database Record (c) 2019 APA, all rights reserved).

Tackling the Peak Overlap Issue in NMR Metabolomics Studies: 1D Projected Correlation Traces from Statistical Correlation Analysis on Nontilted 2D 1H NMR J-Resolved Spectra.

The identification of metabolites in complex biological matrices is a challenging task in 1D 1H-NMR-based metabolomics studies. Statistical total correlation spectroscopy (STOCSY) has emerged for aiding the structural elucidation by revealing the peaks that present a high correlation to a driver peak of interest (which would likely belong to the same molecule). However, in these studies, the signals from metabolites are normally present as a mixture of overlapping resonances, limiting the performance of STOCSY. As an alternative to avoid the overlap issue, 2D 1H homonuclear J-resolved (JRES) spectra were projected, in their usual tilted and symmetrized processed form, and STOCSY was applied on these 1D projections (p-JRES-STOCSY). Nonetheless, this approach suffers in cases where the signals are very close. In addition, STOCSY was applied to the whole JRES spectra (also tilted) to identify correlated multiplets, although the overlap issue in itself was not addressed directly and the subsequent search in databases is complicated in cases of higher order coupling. With these limitations in mind, in the present work, we propose a new methodology based on the application of STOCSY on a set of nontilted JRES spectra, detecting peaks that would overlap in 1D spectra of the same sample set. Correlation comparison analysis for peak overlap detection (COCOA-POD) is able to reconstruct projected 1D STOCSY traces that result in more suitable database queries, as all peaks are summed at their f2 resonances instead of the resonance corresponding to the multiplet center in the tilted JRES spectra. (The peak dispersion and resolution enhancement gained are not sacrificed by the projection.) Besides improving database queries with better peak lists obtained from the projections of the 2D STOCSY analysis, the overlap region is examined, and the multiplet itself is analyzed from the correlation trace at 45° to obtain a cleaner multiplet profile, free from contributions from uncorrelated neighboring peaks.

One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.

A novel series of fully substituted pyrazolo[3,4-b]pyridines 4 has been prepared in a regioselective manner by the microwave-assisted reaction between N-substituted 5-aminopyrazoles 1 and 3-(3-oxo-2-benzofuran-1(3H)-ylidene)pentane-2,4-dione (2). This is the second reported example of a cyclocondensation reaction using substrate 2 as a 1,3-bis-electrophilic reagent. Remarkably, this synthesis offers functionalized products with acetyl and carboxyl groups in one step, in good yields, and with short reaction times. Additionally, the cyclization intermediate 3 was isolated, allowing us to postulate a mechanism for this reaction, which is initiated via isobenzofuranone ring opening of 2 in a Michael-type reaction. The structures of the products and regioselectivity of the reactions were determined on the basis of NMR measurements and X-ray diffraction. For this new reaction using substrate 2, the optimal reaction conditions and its scope were investigated.