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RESUMEN En el contexto de los estudios observacionales, la definición de la fuerza de asociación entre una variable exposición y un resultado, evento o punto final, puede verse alterada por la desigual distribución de covariables entre aquellos que presentan o no la exposición citada. Revisaremos en este escrito diferentes aproximaciones estadísticas al problema en cuestión, desde el análisis multivariado hasta el ajuste que toma en cuenta la inversa de la probabilidad ponderada de tratamiento, y las aplicaremos a ejemplos extraídos de la literatura.
ABSTRACT In the context of observational studies, the definition of the strength of the association between an exposure variable and an outcome variable, event or endpoint, may be affected by the unequal distribution of covariates among those with and without the specified exposure. In this paper we will review different statistical approaches to the subject matter, from multivariate analysis to adjustment which considers the inverse probability of treatment weighting, and we will apply them to examples taken from the medical literature.
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This study aimed to develop an analytical method using HS-SPME/GC-MS to determine the volatile organic compound (VOC) profiles and evaluate the sensory attributes of cocoa honey from four cocoa varieties (CCN51, PS1319, SJ02, and Parazinho). Using a multivariate factorial experimental design, the HS-SPME/GC-MS method was optimized to determine the VOC profiles. Twenty previously trained tasters participated in the ranking descriptive analysis, while 108 consumers participated in the acceptance and purchase intention tests. A total of 84 volatile organic compounds were identified from various chemical classes, including acids, alcohols, aldehydes, esters, ketones, monoterpenes, oxygenated monoterpenoids, sesquiterpenes, and oxygenated sesquiterpenoids. Palmitic acid was the compound found in the highest concentration in all varieties (5.13-13.10%). Multivariate analysis tools identified key compounds for differentiation and grouping of the samples. The results revealed that the variety significantly influenced both the VOCs' concentrations and sensory profiles. The CCN51, PS1319, and SJ02 varieties exhibited the highest diversity of VOCs and sensory attributes. Notably, the SJ02 and CCN51 varieties demonstrated superior acceptability and purchase intention, with means ranging from 7.21 and 7.08 to 3.71 and 3.56, respectively. These results indicate their potential as promising sources of cocoa honey for the food industry.
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Cacau , Cromatografia Gasosa-Espectrometria de Massas , Mel , Microextração em Fase Sólida , Compostos Orgânicos Voláteis , Compostos Orgânicos Voláteis/análise , Cacau/química , Cromatografia Gasosa-Espectrometria de Massas/métodos , Mel/análise , Microextração em Fase Sólida/métodos , Humanos , Adulto , Feminino , MasculinoRESUMO
Candida auris and Candida haemulonii are two emerging opportunistic pathogens that have caused an increase in clinical cases in the recent years worldwide. The differentiation of some Candida species is highly laborious, difficult, costly, and time-consuming depending on the similarity between the species. Thus, this study aimed to develop a new, faster, and less expensive methodology for differentiating between C. auris and C. haemulonii based on near-infrared (NIR) spectroscopy and multivariate analysis. C. auris CBS10913 and C. haemulonii CH02 were separated in 15 plates per species, and three isolated colonies of each plate were selected for Fourier transform near-infrared (FT-NIR) analysis, totaling 90 spectra. Subsequently, principal component analysis (PCA) and variable selection algorithms, including the successive projections algorithm (SPA) and genetic algorithm (GA) coupled with linear discriminant analysis (LDA), were employed to discern distinctive patterns among the samples. The use of PCA, SPA, and GA algorithms associated with LDA achieved 100% sensitivity and specificity for the discriminations. The SPA-LDA and GA-LDA algorithms were essential in selecting the variables (infrared wavelengths) of most importance for the models, which could be attributed to binding of cell wall structures such as polysaccharides, peptides, proteins, or molecules resulting from yeasts' metabolism. These results show the high potential of combined FT-NIR and multivariate analysis techniques for the classification of Candida-like fungi, which can contribute to faster and more effective diagnosis and treatment of patients affected by these microorganisms.
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INTRODUCTION: The study of Candida glabrata genes associated with fluconazole resistance, from a molecular perspective, increases the understanding of the phenomenon with a view to its clinical applicability. OBJECTIVE: We sought to establish the predictive molecular profile of fluconazole resistance in Candida glabrata by analyzing the ERG11, ERG3, CgCDR1, and CgSNQ2 genes. METHOD: Expression was quantified using RT-qPCR. Metrics were obtained through molecular docking and Fisher discriminant functions. Additionally, a predictive classification was made against the susceptibility of C. glabrata to fluconazole. RESULTS: The relative expression of the ERG3, CgCDR1, and CgSNQ2 genes was higher in the fluconazole-resistant strains than in the fluconazole-susceptible, dose-dependent strains. The gene with the highest relative expression in the fluconazole-exposed strains was CgCDR1, and in both the resistant and susceptible, dose-dependent strains exposed to fluconazole, this was also the case. The molecular docking model generated a median number of contacts between fluconazole and ERG11 that was lower than the median number of contacts between fluconazole and ERG3, -CgCDR1, and -CgSNQ2. The predicted classification through the multivariate model for fluconazole susceptibility achieved an accuracy of 73.5%. CONCLUSION: The resistant strains had significant expression levels of genes encoding efflux pumps and the ERG3 gene. Molecular analysis makes the identification of a low affinity between fluconazole and its pharmacological target possible, which may explain the lower intrinsic susceptibility of the fungus to fluconazole.
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The study investigated the behavior of seventeen amino acids during spontaneous (SF) and starter culture (SC) fermentation of Criollo cocoa beans from Copallín, Guadalupe and Tolopampa, Amazonas-Peru. For this purpose, liquid chromatography (UHPLC) was used to quantify amino acids. Multivariate analysis was used to differentiate the phases of the fermentation process. The percentage of essential amino acids during SC fermentation (63.4%) was higher than SF (61.8%); it was observed that the starter culture accelerated their presence and increased their concentration during the fermentation process. The multivariate analysis identified a first stage (day 0 to day 2), characterized by a low content of amino acids that increased due to protein hydrolysis. The study showed that adding the starter culture (Saccharomyces cerevisiae) to the fermentation mass increased the concentration of essential amino acids (63.0%) compared to the spontaneous process (61.8%). Moreover, this addition reduced the fermentation time (3-4 days less), demonstrating that the fermentation process with a starter culture allows obtaining a better profile of amino acids precursors of flavor and aroma.
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The catalytic properties of three copper complexes, [Cu(en)2](ClO4)2 (1), [Cu(amp)2](ClO4)2, (2) and [Cu(bpy)2](ClO4)2 (3) (where en = ethylenediamine, amp = 2-aminomethylpyridine and bpy = 2,2'-bipyridine), were explored upon the oxidation of benzyl alcohol (BnOH). Maximized conversions of the substrates to their respective products were obtained using a multivariate analysis approach, a powerful tool that allowed multiple variables to be optimized simultaneously, thus creating a more economical, fast and effective technique. Considering the studies in a fluid solution (homogeneous), all complexes strongly depended on the amount of the oxidizing agent (H2O2), followed by the catalyst load. In contrast, time seemed to be statistically less relevant for complexes 1 and 3 and not relevant for 2. All complexes showed high selectivity in their optimized conditions, and only benzaldehyde (BA) was obtained as a viable product. Quantitatively, the catalytic activity observed was 3 > 2 > 1, which is related to the π-acceptor character of the ligands employed in the study. Density functional theory (DFT) studies could corroborate this feature by correlating the geometric index for square pyramid Cu(II)-OOH species, which should be generated in the solution during the catalytic process. Complex 3 was successfully immobilized in silica-coated magnetic nanoparticles (Fe3O4@SiO2), and its oxidative activity was evaluated through heterogenous catalysis assays. Substrate conversion promoted by 3-Fe3O4@SiO2 generated only BA as a viable product, and the supported catalyst's recyclability was proven. Reduced catalytic conversions in the presence of the radical scavenger (2,2,6,6-tetrametil-piperidi-1-nil)oxil (TEMPO) indicate that radical and non-radical mechanisms are involved.
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Meat products are known for their lipid profile rich in saturated fats and cholesterol, and also for the formation of oxidation compounds; therefore, a reduction in animal fat may result in a product less harmful to health. Pijuayo is an Amazon fruit known for its nutritional properties, such as its fiber and lipid content. For these reasons, it is an attractive fruit to replace animal fat in meat products. The present work used pijuayo pulp and peel flours to partially replace animal fat in beef-based burgers at 25% and 50% levels, considering sensory and physicochemical outcomes evaluated by Principal Component Analysis (PCA), Correspondence Analysis (CA) and Multiple Factor Analysis (MFA). Pijuayo flour affected the physicochemical characteristics evaluated by PCA, where the samples with greater fat replacement were characterized by a high carbohydrate content and instrumental yellowness. The minimal fat replacement did not abruptly affect the PCA's instrumental texture and color, proximal composition, yield properties, and lipid oxidation. The overall liking was greater in the 25% fat reduction treatments, even greater than the control, in which positive sensory attributes for liking were highlighted for those treatments. A small segment of consumers (11% of total consumers) preferred the treatment with greater replacement of fat with pijuayo peel flour, which these consumers tended to characterize as seasoned. However, this treatment had the lowest liking. The MFA showed that the sensory characteristics tender and tasty were strongly correlated with overall liking and were highlighted in the samples of 25% fat reduction, suggesting that the pijuayo improves the tenderness and flavor of reduced-fat burgers. Other inclusion levels between 25% and 50% of fat replacement could be explored, and optimization studies are needed. In addition, the sensory characteristics and flavor-enhancing compounds of the fruit, as well as the nutritional aspects of the inclusion of pijuayo, should be studied, such as the fatty acid profile. These characteristics will be informative to explore pijuayo as a fat replacer at a pilot scale and industrial scale.
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We investigated the impact of various complex organic nitrogen sources on the submerged liquid fermentation of Beauveria bassiana, a versatile entomopathogenic fungus known for producing hydrophilic yeast-like single cells called blastospores. Specifically, we examined yeast extract, autolyzed yeast, inactive yeast, cottonseed flour, corn bran, and corn gluten meal as nitrogen compounds with different carbon-to-nitrogen (C:N) ratios. Our comprehensive analysis encompassed blastospore production, tolerance to abiotic stresses, shelf stability after drying, and virulence against mealworm larvae, crucial attributes for developing effective blastospore-based biopesticides. Notably, cottonseed flour emerged as the optimal nitrogen source, yielding up to 2.5 × 109 blastospores/mL within 3 days in a bioreactor. These blastospores exhibited the highest tolerance to heat stress and UV-B radiation exposure. The endogenous C:N ratio in blastospore composition was also impacted by nitrogen sources. Bioassays with mealworm larvae demonstrated that blastospores from cottonseed flour were the most virulent, achieving faster lethality (lower LT50) and requiring a lower inoculum (LC50). Importantly, blastospores produced with cottonseed flour displayed extended viability during storage, surpassing the retention of viability compared to those from autolyzed yeast over 180 days at 4°C. Despite differences in storage viability, both nitrogen sources conferred similar long-term blastospore bioactivity against mealworms. In summary, this research advances our understanding of the crucial impact of complex organic nitrogen selection on the phenotypic traits of blastospores in association with their intracellular C:N ratio, contributing to the production of ecologically fit, shelf-stable, and virulent propagules for effective pest biocontrol programs. IMPORTANCE: Biological control through entomopathogenic fungi provides essential ecological services in the integrated management of agricultural pests. In the context of submerged liquid fermentation, the nutritional composition significantly influences the ecological fitness, virulence and quality of these fungi. This study specifically explores the impact of various complex organic nitrogen sources derived from agro-industrial byproducts on the submerged liquid fermentation of Beauveria bassiana, a versatile entomopathogenic fungus known for producing hydrophilic yeast-like blastospores. Notably, manipulating the nitrogen source during submerged cultivation can influence the quality, fitness, and performance of blastospores. This research identifies cottonseed flour as the optimal low-cost nitrogen source, contributing to increased production yields, enhanced multi-stress tolerance, heightened virulence with extended shelf life and long-term bioactivity. These findings deepen our understanding of the critical role of nitrogen compound selection in liquid media formulation, facilitating the production of ecologically fit and virulent blastospores for more effective pest biocontrol programs.
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Beauveria , Nitrogênio , Esporos Fúngicos , Beauveria/metabolismo , Beauveria/fisiologia , Beauveria/patogenicidade , Beauveria/crescimento & desenvolvimento , Nitrogênio/metabolismo , Virulência , Esporos Fúngicos/crescimento & desenvolvimento , Animais , Estresse Fisiológico , Larva/microbiologia , Fermentação , Agricultura , Resíduos IndustriaisRESUMO
This study investigated the effect of AgNPs and AgNO3, at concentrations equivalent, on the production of primary and secondary metabolites on transgenic soybean plants through an NMR-based metabolomics. The plants were cultivated in a germination chamber following three different treatments: T0 (addition of water), T1 (addition of AgNPs), and T2 (addition of AgNO3). Physiological characteristics, anatomical analyses through microscopic structures, and metabolic profile studies were carried out to establish the effect of abiotic stress on these parameters in soybean plants. Analysis of the 1H NMR spectra revealed the presence of amino acids, organic acids, sugars, and polyphenols. The metabolic profiles of plants with AgNP and AgNO3 were qualitatively similar to the metabolic profile of the control group, suggesting that the application of silver does not affect secondary metabolites. From the PCA, it was possible to differentiate the three treatments applied, mainly based on the content of fatty acids, pinitol, choline, and betaine.
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Glycine max , Espectroscopia de Ressonância Magnética , Metabolômica , Nanopartículas Metálicas , Plantas Geneticamente Modificadas , Prata , Glycine max/metabolismo , Glycine max/genética , Glycine max/química , Glycine max/efeitos dos fármacos , Glycine max/crescimento & desenvolvimento , Prata/metabolismo , Prata/química , Nanopartículas Metálicas/química , Espectroscopia de Ressonância Magnética/métodos , Plantas Geneticamente Modificadas/genética , Plantas Geneticamente Modificadas/metabolismo , Plantas Geneticamente Modificadas/química , Aminoácidos/metabolismo , Ácidos Graxos/metabolismo , Ácidos Graxos/químicaRESUMO
Banisteriopsis (Malpighiaceae) is an important genus of neotropical savannas with related biological and medicinal activities but under-explored metabolomic profiles. We present a chemometric analysis for discriminating secondary metabolites of three species of Banisteriopsis (B. laevifolia, B. malifolia, and B. stellaris) leaves. Initially, each species was separately extracted with ethanol:water (4 : 1, v/v) and analysed by Ultra Performance Liquid Chromatography coupled with Mass Spectrometry (UPLC-MS/MS). The chromatographic profiles were subjected to Global Natural Product Social (GNPS) and Partial Least Squares Discriminant Analysis (PLS-DA). Eighty-nine compounds (cosine≥0.90) were annotated, including flavonoids, phenolics, and acids. The chemometric analysis (VIP Score) showed each species' relative concentration of the more relevant compounds. In addition, four compounds that discriminate the metabolomic profiles of B. laevifolia, B. malifolia, and B. stellaris were identified by PLS-DA.
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Cereal grains play an important role in human health as a source of macro- and micronutrients, besides phytochemicals. The metabolite diversity was investigated in cereal crops and their milling fractions by untargeted metabolomics ultra-high-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) of 69 samples: 7 species (barley, oat, pearl millet, rye, sorghum, triticale, and wheat), 23 genotypes, and 4 milling fractions (husk, bran, flour, and wholegrain). Samples were also analyzed by in vitro antioxidant activity. UHPLC-MS/MS signals were processed using XCMS, and metabolite annotation was based on SIRIUS and GNPS libraries. Bran and husk showed the highest antioxidant capacity and phenolic content/diversity. The major metabolite classes were phenolic acids, flavonoids, fatty acyls, and organic acids. Sorghum, millet, barley, and oats showed distinct metabolite profiles, especially related to the bran fraction. Molecular networking and chemometrics provided a comprehensive insight into the metabolic profiling of cereal crops, unveiling the potential of coproducts and super cereals such as sorghum and millet as sources of polyphenols.
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Antioxidantes , Grão Comestível , Espectrometria de Massas em Tandem , Antioxidantes/metabolismo , Antioxidantes/química , Antioxidantes/análise , Grão Comestível/química , Grão Comestível/metabolismo , Cromatografia Líquida de Alta Pressão , Sorghum/química , Sorghum/metabolismo , Avena/química , Avena/metabolismo , Avena/genética , Triticum/química , Triticum/metabolismo , Triticum/genética , Flavonoides/metabolismo , Flavonoides/análise , Flavonoides/química , Extratos Vegetais/química , Extratos Vegetais/metabolismo , Milhetes/química , Milhetes/metabolismo , Milhetes/genética , Hordeum/química , Hordeum/metabolismo , Hordeum/genética , Sementes/química , Sementes/metabolismo , Metabolômica , Produtos Agrícolas/química , Produtos Agrícolas/metabolismo , Produtos Agrícolas/genéticaRESUMO
Specialty coffee beans are those produced, processed, and characterized following the highest quality standards, toward delivering a superior final product. Environmental, climatic, genetic, and processing factors greatly influence the green beans' chemical profile, which reflects on the quality and pricing. The present study focuses on the assessment of eight major health-beneficial bioactive compounds in green coffee beans aiming to underscore the influence of the geographical origin and post-harvesting processing on the quality of the final beverage. For that, we examined the non-volatile chemical profile of specialty Coffea arabica beans from Minas Gerais state, Brazil. It included samples from Cerrado (Savannah), and Matas de Minas and Sul de Minas (Atlantic Forest) regions, produced by two post-harvesting processing practices. Trigonelline, theobromine, theophylline, chlorogenic acid derivatives, caffeine, caffeic acid, ferulic acid, and p-coumaric acid were quantified in the green beans by high-performance liquid chromatography with diode array detection. Additionally, all samples were roasted and subjected to sensory analysis for coffee grading. Principal component analysis suggested that Cerrado samples tended to set apart from the other geographical locations. Those samples also exhibited higher levels of trigonelline as confirmed by two-way ANOVA analysis. Samples subjected to de-pulping processing showed improved chemical composition and sensory score. Those pulped coffees displayed 5.8% more chlorogenic acid derivatives, with an enhancement of 1.5% in the sensory score compared to unprocessed counterparts. Multivariate logistic regression analysis pointed out altitude, ferulic acid, p-coumaric acid, sweetness, and acidity as predictors distinguishing specialty coffee beans obtained by the two post-harvest processing. These findings demonstrate the influence of regional growth conditions and post-harvest treatments on the chemical and sensory quality of coffee. In summary, the present study underscores the value of integrating target metabolite analysis with statistical tools to augment the characterization of specialty coffee beans, offering novel insights for quality assessment with a focus on their bioactive compounds.
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Coffea , Café , Manipulação de Alimentos , Sementes , Brasil , Coffea/química , Sementes/química , Manipulação de Alimentos/métodos , Café/química , Alcaloides/análise , Cromatografia Líquida de Alta Pressão , Humanos , Paladar , Análise de Componente PrincipalRESUMO
Embryo transfer (ET) in bovines was created with the purpose of increasing the pregnancy rate (PR) of animals with high genetic value; however, multiple factors have been found to affect the success of this reproductive biotechnology. These factors are frequently grouped in intrinsic and extrinsic factors. Thus, the objective of the present experiments was to assess the effect of intrinsic and extrinsic factors on the pregnancy rate under tropical conditions. To do this a total of 648 embryo transfer (ET) procedures were performed between January and December 2021. The intrinsic factors were size and location of the corpus luteum, body condition, genetic group, age and parity; while extrinsic factors were location of the farm, environmental comfort, season in which the ET was carried out, prevailing weather conditions, and the preservation, quality, and the development stage of embryos at the time of ET. A χi2 was used for analysis of main effects, and logistic regression analysis to calculate the probability of pregnancy and the association between intrinsic or extrinsic factors; additionally, a multivariate analysis of data clusters was used to find a linkage between the effects. While recipient female age had a negative effect (Odds ratio = 0.345-0.871) on PR (p < 0.05), being higher in younger cows, the rest of the intrinsic factors did not affect the PR. The significant (p < 0.05) extrinsic factors were THI category, season of year and type of embryo preservation, showing that the highest PR (p < 0.05) was obtained in the comfort THI category, during the winter season and using fresh embryos for transfer. The clustering analysis did not show any linkage between PR and intrinsic factors, while a linkage (p < 0.05) was found with season of the year and embryo preservation as extrinsic factors. It is concluded that age of the recipient cow and environmental conditions at the time of the embryo transfer are key factors to be considered for a successful pregnancy rate from in-vitro ET programs using dual-purpose cows under tropical conditions.
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Transferência Embrionária , Taxa de Gravidez , Clima Tropical , Animais , Bovinos/fisiologia , Feminino , Gravidez , Transferência Embrionária/veterinária , Estações do AnoRESUMO
This study investigated the sediment geochemistry of a fish farming area in net cage tanks in the Rosário reservoir, Brazil. Three areas were investigated: reference (RA), fish farming (FFA), and dispersion (DA). The results were analyzed through correlation, similarity, principal component analysis, comparison with legislation, sediment quality guidelines, and sediment pollution indices. The mean concentrations for RA, FFA, and DA areas were respectively: Cu (mg.kg-1) 37.74, 62.23, and 71.83; Mn (mg.kg-1) 22.55, 66.48, and 55.90; Zn (mg.kg-1) 9.13, 114.83, and 94.27; Fe (%) 0.28, 0.40, and 0.43; OM (%) 15.84, 21.95, and 18.45; TOC (%) 1.86, 3.69, and 6.05; TN (mg.kg-1) 2365.00, 5015.00, and 3447.51; TP (mg.kg-1) 780.00, 6896.00, and 2585.50; ORP (mV) -95.50, -135.20, and -127.10; pH 6.60, 6.58, and 6.05; <63 µm 90.59, 78.68, and 87.30. Statistically, the influence of fish farming on sediment, organic matter, and pollutant sedimentation was demonstrated. Cu and Zn concentrations were below sediment quality guidelines. Regarding legal limits (resolution 454/2012/CONAMA), nutrients in the FFA area exceeded by 60% (TN) and 100% (TP), while in DA and RA areas they were 100% lower. TOC was 100% lower in all areas. Organic matter exceeded the limit by 100% in all areas. Pollution indices resulted in: low contamination factor 78%; unpolluted for 87% of pollution load and 83% of combined pollution; moderately polluted for 75% of the Nemerow index. The greatest impacts and influence of farming on pollutant sedimentation were more concentrated in the fish farming area. In terms of legal aspects and pollution indices, fish farming produced low levels of trace metal pollution and nutrient concentrations exceeded legal limits.
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Aquicultura , Monitoramento Ambiental , Sedimentos Geológicos , Tilápia , Poluentes Químicos da Água , Brasil , Sedimentos Geológicos/análise , Sedimentos Geológicos/química , Animais , Poluentes Químicos da Água/análiseRESUMO
Amid the surge in data volume generated across various fields of knowledge, there is an increasing necessity for advanced analytical methodologies to effectively process and utilize this information. Particularly in the field of animal health, this approach is pivotal for enhancing disease understanding, surveillance, and management. The main objective of the study was to conduct a comprehensive livestock and environmental characterization of Colombian municipalities and examine their relationship with the distribution of vesicular stomatitis (VS). Utilizing satellite imagery to delineate climatic and land use profiles, along with data from the Colombian Agricultural Institute (ICA) concerning animal populations and their movements, the research employed Principal Component Analysis (PCA) to explore the correlation between environmental and livestock-related variables. Additionally, municipalities were grouped through a Hierarchical Clustering process. The assessment of risk associated with VS was carried out using a Generalized Linear Model. This process resulted in the formation of four distinct clusters: three primarily characterized by climatic attributes and one predominantly defined by livestock characteristics. Cluster 1, identified as "Andino" due to its climatic and environmental features, exhibited the highest odds ratio for VS occurrence. The adopted methodology not only provides a deeper understanding of the local population and its context, but also offers valuable insights for enhancing disease surveillance and control programs.
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In the coffee industry, the use of natural coffee extracts with differentiated attributes is desirable to drive new product development. This study evaluates the impact of ultrafiltration membrane processing on the sensory, metabolic, and physicochemical attributes of four commercially available coffee extracts: cold brew, lightly roasted, freeze concentrated and evaporated standard. The sensory analysis revealed an increase in acidity in the permeate across all extracts, with the most significant profile changes observed in the lightly roasted evaporated and evaporated extracts, accompanied by an enhancement of fruity and floral attributes. Furthermore, the permeate showed reduced total dissolved solids, while the caffeine concentration increased. Metabolomic analysis highlighted key coffee-related metabolites like cinnamic and coumaric acids, explaining observed variations due to their passage through the membrane. Our findings emphasize the potential of permeate as a coffee-based ingredient for ready-to-drink products development, providing a unique coffee experience with organoleptic profiles distinct from traditional beverages.
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Coffea , Café , Extratos Vegetais , Paladar , Ultrafiltração , Extratos Vegetais/química , Café/química , Coffea/química , Humanos , Manipulação de Alimentos , Cafeína/análise , Cafeína/metabolismoRESUMO
Beer is one of the oldest and most known alcoholic beverages whose organoleptic characteristics are the attributes that the consumer seeks, which is why it is essential to ensure proper quality control of the final product. Fourier transform mid-infrared (FT-MIR) spectroscopy coupled with multivariate analysis can be an alternative to traditional methods to predict quality parameters in craft beer. This study aims to develop prediction models based on FT-MIR spectroscopy to simultaneously quantify quality parameters (color, specific gravity, alcohol volume, bitterness, turbidity, pH, and total acidity) in craft beer. Additionally, principal component analysis (PCA) was applied, and it was possible to classify craft beer samples according to their style. Partial least squares (PLS1) developed the best predictive model by obtaining higher R2c (0.9999) values and lower standard error of calibration (SEC: 0.01-0.11) and standard error of prediction (SEP: 0.01-0.14) values in comparison to the models developed with the other algorithms. Specific gravity could not be predicted due to the low variability in the values. Validation and prediction with external samples confirmed the predictive capacity of the developed model. By making a comparison to traditional techniques, FT-MIR coupled with multivariate analysis has a higher advantage, since it is rapid (approximately 6 min), efficient, cheap, and eco-friendly because it does not require the use of solvents or reagents, representing an alternative to simultaneously analyzing quality parameters in craft beer.
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In this work, we present the water quality assessment of an urban river, the San Luis River, located in San Luis Province, Argentina. The San Luis River flows through two developing cities; hence, urban anthropic activities affect its water quality. The river was sampled spatially and temporally, evaluating ten physicochemical variables on each water sample. These data were used to calculate a Simplified Index of Water Quality in order to estimate river water quality and infer possible contamination sources. Data were statistically analyzed with the opensource software R, 4.1.0 version. Principal component analysis, cluster analysis, correlation matrices, and heatmap analysis were performed. Results indicated that water quality decreases in areas where anthropogenic activities take place. Robust inferential statistical analysis was performed, employing an alternative of multivariate analysis of variance (MANOVA), MANOVA.wide function. The most statistically relevant physicochemical variables associated with water quality decrease were used to develop a multiple linear regression model to estimate organic matter, reducing the variables necessary for continuous monitoring of the river and, hence, reducing costs. Given the limited information available in the region about the characteristics and recovery of this specific river category, the model developed is of vital importance since it can quickly detect anthropic alterations and contribute to the environmental management of the rivers. This model was also used to estimate organic matter at sites located in other similar rivers, obtaining satisfactory results.
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Monitoramento Ambiental , Rios , Qualidade da Água , Rios/química , Argentina , Monitoramento Ambiental/métodos , Análise Multivariada , Cidades , Poluentes Químicos da Água/análise , Análise de Componente PrincipalRESUMO
Clinical depression is characterized by multiple concurrent symptoms, manifesting as a complex heterogeneous condition. Although some well-established classical behavioral assessments are widespread in rodent models, it remains uncertain whether rats also display stress-induced depression-related phenotypes in a multidimensional manner, i.e., simultaneous alterations in multiple behavioral tests. Here, we investigated multivariate patterns and profiles of depression-related behavioral traits in male Wistar rats subjected to inescapable footshocks (IS) or no-shocks (NS), followed by a comprehensive battery of behavioral tests and ethological characterization. We observed generalized stronger intra-test but weaker inter-test correlations. However, feature clustering of behavioral measures successfully delineated variables linked to resilience and susceptibility to stress. Accordingly, a noteworthy covariation pattern emerged, characterized by increased open field locomotion, reduced time in the elevated plus maze open arms, lower sucrose preference, and increased shuttle box escape failures that consistently differentiated IS from NS. Surprisingly there is little contribution from forced swim. In addition, individual clustering revealed a diversity of behavioral profiles, naturally separating NS and IS, including subpopulations entirely characterized by resilience or susceptibility. In conclusion, our study elucidates intricate relationships among classical depression-related behavioral measures, highlighting multidimensional individual variability. Our work emphasizes the importance of a multivariate framework for behavioral assessment in animal models to understand stress-related neuropsychiatric disorders.
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Comportamento Animal , Depressão , Ratos Wistar , Estresse Psicológico , Animais , Masculino , Ratos , Resiliência Psicológica , Modelos Animais de Doenças , Suscetibilidade a DoençasRESUMO
The Atlantic forest is one of the world's major tropical biomes due to its rich biodiversity. Its vast diversity of plant species poses challenges in floristic surveys. Fourier transform infrared spectroscopy (FTIR) enables rapid and residue-free data collection, providing diverse applications in organic sample analysis. FTIR spectra quality depends on the sample preparation methodology. However, no research on FTIR spectroscopy methodology for taxonomy has been conducted with tropical tree species. Hence, this study addresses the sample preparation influence on FTIR spectra for the taxonomic classification of 12 tree species collected in the Serra do Mar State Park (PESM) - Cunha Nucleus - São Paulo State, Brazil. Spectra were obtained from intact fresh (FL), intact dried (DL), and heat-dried ground (GL) leaves. The spectra were evaluated through chemometrics using Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA), and Linear Discriminant Analysis (LDA) with validation by LDA-PCA. The results demonstrate that sample preparation directly influences tropical species FTIR spectra categorization capability. The best taxonomic classification result for all techniques, validated by LDA-PCA, was obtained from GL. FTIR spectra evaluation through PCA, HCA, and LDA allow for the observation of phylogenetic relationships among the species. FTIR spectroscopy proves to be a viable technique for taxonomic evaluation of tree species in floristic exploration of tropical biomes which can complement traditional tools used for taxonomic studies.