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1.
J Environ Manage ; 251: 109567, 2019 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-31569023

RESUMO

A detailed and global quantitative assessment of the distribution of pyrogenic carbon (PyC) in soils remains unaccounted due to the current lack of unbiased methods for its routine quantification in environmental samples. Conventional oxidation with potassium dichromate has been reported as a useful approach for the determination of recalcitrant C in soils. However, its inaccuracy due to the presence of residual non-polar but still non-PyC requires additional analysis by 13C solid-state nuclear magnetic resonance (NMR) spectroscopy, which is expensive and time consuming. The goal of this work is to examine the possibility of applying infrared (IR) spectroscopy as a potential alternative. Different soil type samples (paddy soil, Histic Humaquept, Leptosol and Cambisol) have been used. The soils were digested with potassium dichromate to determine the PyC content in environmental samples. Partial Least Squares (PLS) regression was used to build calibration models to predict PyC from IR spectra. A set of artificially produced samples rich in PyC was used as reference to observe in detail the IR bands derived from aromatic structures resistant to dichromate oxidation, representing black carbon. The results showed successful PLS forecasting of PyC in the different samples by using spectra in the 1800-400 cm-1 range. This lead to significant (P < 0.05) cross-validation coefficients for PyC, determined as the aryl C content of the oxidized residue. The Variable Importance for Projection (VIP) traces for the corresponding PLS regression models plotted in the whole IR range indicates the extent to which each IR band contributes to explain the aryl C and PyC contents. In fact, forecasting PyC in soils requires information from several IR regions. In addition to the expected IR bands corresponding to aryl C, other bands are informing about the patterns of oxygen-containing functional groups and the mineralogical composition characteristic of the soils with greater black carbon storage capacity. The VIP traces of the charred biomass samples confirm that aromatic bands (1620 and 1510 cm-1) are the most important in the prediction model for PyC-rich samples. These facts suggest that the mid-IR spectroscopy could be a potential tool to estimate the black carbon.


Assuntos
Carbono , Solo , Biomassa , Análise dos Mínimos Quadrados , Espectrofotometria Infravermelho
2.
Health Qual Life Outcomes ; 17(1): 153, 2019 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-31615531

RESUMO

BACKGROUND: The Functional Assessment of Cancer Therapy-Breast (FACT-B) is the most commonly used scale for assessing quality of life in patients with breast cancer. The lack of preference-based measures limits the cost-utility of breast cancer in China. The goal of this study was to explore whether a mapping function can be established from the FACT-B to the EQ-5D-5 L when the EQ-5D health-utility index is not available. METHODS: A cross-sectional survey of adults with breast cancer was conducted in China. All patients included in the study completed the EQ-5D-5 L and the disease-specific FACT-B questionnaire, and demographic and clinical data were also collected. The Chinese tariff value was used to calculate the EQ-5D-5 L utility scores. Five models were evaluated using three different modelling approaches: the ordinary least squares (OLS) model, the Tobit model and the two-part model (TPM). Total scores, domain scores, squared terms and interaction terms were introduced into models. The goodness of fit, signs of the estimated coefficients, and normality of prediction errors of the model were also assessed. The normality of the prediction error is determined by calculating the root mean squared error (RMSE), the mean absolute deviation (MAD), and the mean absolute error (MAE). Akaike information criteria (AIC) and Bayes information criteria (BIC) were also used to assess models and predictive performances. The OLS model was followed by simple linear equating to avoid regression to the mean. RESULTS: The performance of the models was improved after the introduction of the squared terms and the interaction terms. The OLS model, including the squared terms and the interaction terms, performed best for mapping the EQ-5D-5 L. The explanatory power of the OLS model was 70.0%. The AIC and BIC of this model were the smallest (AIC = -705.106, BIC = -643.601). The RMSE, MAD and MAE of the OLS model, Tobit model and TPM were similar. The MAE values of the 5-fold cross-validation of the multiple models in this study were 0.07155~0.08509; meanwhile, the MAE of the TPM was the smallest, followed by that of the OLS model. The OLS regression proved to be the most accurate for the mean, and linearly equated scores were much closer to observed scores. CONCLUSIONS: This study establishes a mapping algorithm based on the Chinese population to estimate the EQ-5D-5 L index of the FACT-B and confirms that OLS models have higher explanatory power and that TPMs have lower prediction error. Given the accuracy of the mean prediction and the simplicity of the model, we recommend using the OLS model. The algorithm can be used to calculate EQ-5D scores when EQ-5D data are not directly collected in a study.


Assuntos
Neoplasias da Mama/psicologia , Modelos Estatísticos , Qualidade de Vida , Adulto , Algoritmos , Teorema de Bayes , China , Estudos Transversais , Feminino , Humanos , Análise dos Mínimos Quadrados , Masculino , Pessoa de Meia-Idade , Inquéritos e Questionários
3.
N Engl J Med ; 381(10): 903-911, 2019 09 05.
Artigo em Inglês | MEDLINE | ID: mdl-31483961

RESUMO

BACKGROUND: Altered neurotransmission of γ-aminobutyric acid (GABA) has been implicated in the pathogenesis of depression. Whether SAGE-217, an oral, positive allosteric modulator of GABA type A receptors, is effective and safe for the treatment of major depressive disorder is unknown. METHODS: In this double-blind, phase 2 trial, we enrolled patients with major depression and randomly assigned them in a 1:1 ratio to receive 30 mg of SAGE-217 or placebo once daily. The primary end point was the change from baseline to day 15 in the score on the 17-item Hamilton Depression Rating Scale (HAM-D; scores range from 0 to 52, with higher scores indicating more severe depression). Secondary efficacy end points, which were assessed on days 2 through 8 and on days 15, 21, 28, 35, and 42, included changes from baseline in scores on additional depression and anxiety scales, a reduction from baseline of more than 50% in the HAM-D score, a HAM-D score of 7 or lower, and a Clinical Global Impression of Improvement score of 1 (very much improved) or 2 (much improved) (on a scale of 1 to 7, with a score of 7 indicating that symptoms are very much worse). RESULTS: A total of 89 patients underwent randomization: 45 patients were assigned to the SAGE-217 group, and 44 to the placebo group. The mean baseline HAM-D score was 25.2 in the SAGE-217 group and 25.7 in the placebo group. The least-squares mean (±SE) change in the HAM-D score from baseline to day 15 was -17.4±1.3 points in the SAGE-217 group and -10.3±1.3 points in the placebo group (least-squares mean difference in change, -7.0 points; 95% confidence interval, -10.2 to -3.9; P<0.001). The differences in secondary end points were generally in the same direction as those of the primary end point. There were no serious adverse events. The most common adverse events in the SAGE-217 group were headache, dizziness, nausea, and somnolence. CONCLUSIONS: Administration of SAGE-217 daily for 14 days resulted in a reduction in depressive symptoms at day 15. Adverse events were more common in the SAGE-217 group than in the placebo group. Further trials are needed to determine the durability and safety of SAGE-217 in major depressive disorder and to compare SAGE-217 with available treatments. (Funded by Sage Therapeutics; ClinicalTrials.gov number, NCT03000530.).


Assuntos
Antidepressivos/uso terapêutico , Transtorno Depressivo Maior/tratamento farmacológico , Moduladores GABAérgicos/uso terapêutico , Receptores de GABA-A/metabolismo , Administração Oral , Adulto , Regulação Alostérica , Antidepressivos/efeitos adversos , Transtorno Depressivo Maior/classificação , Tontura/induzido quimicamente , Método Duplo-Cego , Feminino , Moduladores GABAérgicos/efeitos adversos , Humanos , Análise dos Mínimos Quadrados , Masculino , Pessoa de Meia-Idade , Náusea/induzido quimicamente , Escalas de Graduação Psiquiátrica
4.
Health Qual Life Outcomes ; 17(1): 136, 2019 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-31382960

RESUMO

BACKGROUND: Fatigue has a major influence on the quality of life of people with multiple sclerosis. The Fatigue Severity Scale is a frequently used patient-reported measure of fatigue impact, but does not generate the health state utility values required to inform cost-effectiveness analysis, limiting its applicability within decision-making contexts. The objective of this study was to use statistical mapping methods to convert Fatigue Severity Scale scores to health state utility values from three preference-based measures: the EQ-5D-3L, SF-6D and Multiple Sclerosis Impact Scale-8D. METHODS: The relationships between the measures were estimated through regression analysis using cohort data from 1056 people with multiple sclerosis in South West England. Estimation errors were assessed and predictive performance of the best models as tested in a separate sample (n = 352). RESULTS: For the EQ-5D and the Multiple Sclerosis Impact Scale-8D, the best performing models used a censored least absolute deviation specification, with Fatigue Severity Scale total score, age and gender as predictors. For the SF-6D, the best performing model used an ordinary least squares specification, with Fatigue Severity Scale total score as the only predictor. CONCLUSIONS: Here we present algorithms to convert Fatigue Severity Scales scores to health state utility values based on three preference-based measures. These values may be used to estimate quality-adjusted life-years for use in cost-effectiveness analyses and to consider the health-related quality of life of people with multiple sclerosis, thereby informing health policy decisions.


Assuntos
Fadiga/psicologia , Esclerose Múltipla/psicologia , Qualidade de Vida , Inquéritos e Questionários/normas , Adulto , Tomada de Decisão Clínica/métodos , Estudos de Coortes , Análise Custo-Benefício , Inglaterra , Fadiga/etiologia , Feminino , Humanos , Análise dos Mínimos Quadrados , Masculino , Pessoa de Meia-Idade , Esclerose Múltipla/complicações , Anos de Vida Ajustados por Qualidade de Vida , Índice de Gravidade de Doença
5.
Sheng Wu Gong Cheng Xue Bao ; 35(8): 1491-1499, 2019 Aug 25.
Artigo em Chinês | MEDLINE | ID: mdl-31441620

RESUMO

The quantity of biomass, glucose concentration and ethanol concentration are important parameters in ethanol fermentation. Traditional methods are usually based on samples for off-line measurement, which not only requires multiple instruments for test and analysis but also consumes notable time and effort, and therefore is inconvenient for real-time process control and optimization. In this study, an in-situ detection method based on the near-infrared (NIR) spectroscopy is proposed for measuring the above process parameters in real time. The in-situ measurement is carried out by using an immersion type NIR spectroscopy. A multi-output prediction model for simultaneously estimating the quantity of glucose, biomass and ethanol is established based on a multi-output least-squares support vector regression algorithm. The experimental results show that the proposed method can precisely measure the quantity of glucose, biomass and ethanol during the ethanol fermentation process. Compared to the existing partial-least-squares method for modeling and prediction of individual components, the proposed method could evidently improve the measurement accuracy and reliability.


Assuntos
Fermentação , Espectroscopia de Luz Próxima ao Infravermelho , Etanol , Análise dos Mínimos Quadrados , Reprodutibilidade dos Testes
6.
Food Chem ; 301: 125250, 2019 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-31377616

RESUMO

Untargeted LC/MS flavoromic profiling was utilized to identify compounds that positively impact coffee quality. The chemical profiles of eighteen coffee samples and the corresponding Specialty Coffee Association (SCA) cup scores were modeled by orthogonal partial least squares (OPLS) analysis with good fit and predictive ability (R2Y > 0.9, Q2 > 0.9). Four highly predictive chemical compounds positively correlated to cup score were subsequently isolated and purified (>90%) by multi-dimensional preparative LC/MS fractionation. Sensory recombination analysis by certified SCA Q-graders (n = 5) confirmed three out of four compounds significantly increased cup score when added to a control coffee (p < 0.001). Based on accurate mass spectrometry and NMR experiments, the compound structures were identified as novel compounds 3-O-caffeoyl-4-O-3-methylbutanoylquinic acid, and the corresponding lactone 3-O-caffeoyl-4-O-3-methylbutanoyl-1,5-quinide, as well as an unknown phenolic derivative containing a 3-methylbutanoyl moiety ([M-H]-1, m/z 671). No direct flavor activity was observed for each compound, indicating these compounds act as flavor-modifiers.


Assuntos
Café/química , Qualidade dos Alimentos , Paladar , Cromatografia Líquida , Lactonas/análise , Análise dos Mínimos Quadrados , Espectrometria de Massas
7.
J Environ Manage ; 249: 109375, 2019 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-31408815

RESUMO

River water quality models are often constrained by a lack of understanding of model structures and complicated estimation procedures for unknown parameters. This paper demonstrates a new calibration strategy by setting up a simple model structure for river water quality. The unknown parameters of RWQM were calibrated through the use of small river water quality data sets. In order to facilitate the calibration procedure, data reconstruction and parameter estimation were performed by the systematic application of cubic smoothing spline, polynomial curve-fitting and nonlinear least squares. The quality of calibrated parameters was estimated by developing a sensitivity ranking system. The variation of model outputs showed a slight difference at a sensitivity index of less than 10% and a significant difference at a sensitivity index of more than 50%. The one-way analysis of variance showed a large p-value of 0.8431, indicating that differences between model data and measured data means are not significant. The calibrated model responses and their statistical envelopes were in good agreement with the river water quality data. A MATLAB GUI platform was developed to perform numerical and graphical analysis, which can be used as a relatively simple but robust calibration tool to support model application and data analysis.


Assuntos
Rios , Qualidade da Água , Calibragem , Água Doce , Análise dos Mínimos Quadrados , Modelos Teóricos
8.
Food Chem ; 298: 125052, 2019 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-31261003

RESUMO

Scotch Whisky has been analysed as a complex mixture in its raw form using high resolution Nuclear Magnetic Resonance (NMR) and previously developed water and ethanol suppression techniques. This has allowed for the positive identification of 25 compounds in Scotch Whisky by means of comparison to reference standards, spike-in experiments, and advanced 1D and 2D NMR experiments. Quantification of compounds was hindered by signal overlap, though peak alignment strategies were largely successful. Statistical total correlation spectroscopy (STOCSY) yielded information on signals arising from the same compound or compounds of similar origin. Statistical analysis of the spectra was performed using Independent and Principal Components Analysis (ICA, PCA) as well as Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA). Several whisky production parameters were successfully modelled, including blend or malt status, use of peated malt, alcohol strength, generic authentication and maturation wood type, whilst age and geographical origin could not be modelled.


Assuntos
Bebidas Alcoólicas/análise , Espectroscopia de Prótons por Ressonância Magnética/métodos , Bebidas Alcoólicas/normas , Análise Discriminante , Análise dos Mínimos Quadrados , Análise de Componente Principal , Espectroscopia de Prótons por Ressonância Magnética/normas , Padrões de Referência
9.
Food Chem ; 298: 125096, 2019 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-31272051

RESUMO

The aim of this paper is to test different models for predicting furan content in a dough system, based on partial least squares regression using colour images. Starch dough systems were fried at five temperatures between 150 and 190 °C and for 5, 7, 9, 11 and 13 min. The furan content was quantified using gas chromatography/mass spectrometry, while the corresponding images were simultaneously obtained and processed in order to extract 2914 features. Good furan content predictions were obtained using computer vision image chromatic features using correlation coefficient of prediction (Rp = 0.86). However, the best prediction correlation was obtained using the image textural features (Rp = 0.93), when the number of features was reduced to 10 by algorithms applications. These results suggest that furan content in fried dough systems can be predicted using features of computer vision images.


Assuntos
Pão , Análise de Alimentos/métodos , Indústria de Processamento de Alimentos/métodos , Furanos/análise , Processamento de Imagem Assistida por Computador/métodos , Algoritmos , Cor , Culinária , Qualidade dos Alimentos , Cromatografia Gasosa-Espectrometria de Massas , Análise dos Mínimos Quadrados , Amido , Triticum
10.
J Agric Food Chem ; 67(29): 8279-8289, 2019 Jul 24.
Artigo em Inglês | MEDLINE | ID: mdl-31259549

RESUMO

This study is focused on examining the tocopherol isomers (α-, γ-, and δ-) fingerprinting by online RP-HPLC analysis with post column detection using CUPRAC (cupric reducing antioxidant capacity) methodology for argan oil authenticity. The proposed online assay was validated with good precision, reproducibility, and linearity. Sixteen argan oil samples (100% pure-certified and other commercial argan oils), possible adulterating vegetable oils (i.e., olive, sunflower, corn, and soya oils), and virgin argan oil blended with olive, sunflower, corn, and soya oils at levels of 5%, 10%, 15%, and 20% were analyzed. Spectrophotometric CUPRAC, DPPH, and ABTS assays were applied. Discrimination of fraudulent argan oils from virgin samples was performed by utilizing orthogonal partial least-squares discriminant analysis (OPLS-DA) regression modeling with good sensitivity and specificity. We suggested [γ-toc/α-toc] value as a new first screening adulteration factor (AF) that could be used to assess fraudulent argan oil samples. The distinct decrement in AF value was observed by the increase of adulteration rate. The AF values for virgin argan oils were ranged from 11.8 (lower limit) to 18.6 (upper limit). The presence of ß-sitosterol detected in commercial argan oils (with AF values out of limit values) was evaluated as fraudulent which was in accordance with the proposed assay. Our method enabled the detection of argan oil samples at adulteration levels of >5% in the case of sunflower, olive, and soya oils, >15% in the case of corn oil. This method may be an alternative and specific assay for the authentication and quality detection of commercial argan oils.


Assuntos
Cromatografia Líquida de Alta Pressão/métodos , Óleos Vegetais/análise , Análise Discriminante , Contaminação de Alimentos/análise , Análise dos Mínimos Quadrados , Reprodutibilidade dos Testes , Tocoferóis/análise
11.
Nat Commun ; 10(1): 2975, 2019 07 05.
Artigo em Inglês | MEDLINE | ID: mdl-31278265

RESUMO

The rapid development of single-cell transcriptomic technologies has helped uncover the cellular heterogeneity within cell populations. However, bulk RNA-seq continues to be the main workhorse for quantifying gene expression levels due to technical simplicity and low cost. To most effectively extract information from bulk data given the new knowledge gained from single-cell methods, we have developed a novel algorithm to estimate the cell-type composition of bulk data from a single-cell RNA-seq-derived cell-type signature. Comparison with existing methods using various real RNA-seq data sets indicates that our new approach is more accurate and comprehensive than previous methods, especially for the estimation of rare cell types. More importantly, our method can detect cell-type composition changes in response to external perturbations, thereby providing a valuable, cost-effective method for dissecting the cell-type-specific effects of drug treatments or condition changes. As such, our method is applicable to a wide range of biological and clinical investigations.


Assuntos
Perfilação da Expressão Gênica/métodos , Análise de Sequência de RNA/métodos , Análise de Célula Única/métodos , Algoritmos , Conjuntos de Dados como Assunto , Estudos de Viabilidade , Feminino , Sequenciamento de Nucleotídeos em Larga Escala/métodos , Humanos , Análise dos Mínimos Quadrados , Melanoma/genética , Neoplasias Ovarianas/genética , Neoplasias Cutâneas/genética , Transcriptoma/genética
12.
Environ Sci Pollut Res Int ; 26(24): 25218-25234, 2019 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-31256399

RESUMO

This study investigates the environmental Kuznets curve (EKC) hypothesis for Brazil, Russia, India, China and South Africa (BRICS) over the period 1990-2014, while considering agricultural activities, energy use, trade openness and mobile use as driving forces of environmental degradation. The empirical results verify an inverted U-shaped connection between carbon emissions and economic growth. This study confirms the unfriendly impact of agriculture on the environment. Electricity consumption and trade openness likewise exhibit similar impacts on carbon emissions. Mobile use however reduces pollution. A unique revelation from this study is that the interaction between electricity consumption and agricultural activities has an additional pernicious effect on the environment. The methodologies applied for testing the impact of selected independent variables on carbon emissions in BRICS are the Dynamic Ordinary Least Squares (DOLS) and the Fully Modify Ordinary Least Square (FMOLS) for long run regression. Empirical evidence confirms that agriculture exerts a negative impact on the environment in BRICS countries. This study therefore recommends the adoption of cleaner energy processes and enabling high-tech and clean foreign investment.


Assuntos
Agricultura , Dióxido de Carbono/análise , Poluição Ambiental/estatística & dados numéricos , Brasil , Carbono , China , Desenvolvimento Econômico , Eletricidade , Poluição Ambiental/análise , Índia , Investimentos em Saúde , Análise dos Mínimos Quadrados , Federação Russa , África do Sul
13.
J Food Sci ; 84(8): 2112-2120, 2019 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-31313310

RESUMO

Misrecognition and toxic elements are two of several reasons responsible for food poisoning even death in the summer, a time when a great deal of edible mushrooms is celebrated in Southwestern China featured as complex environment conditions. It is highly important to identify the difference of chemical constituents in edible mushrooms at the regional-scale. In this study, Fourier transform infrared (FT-IR) spectroscopy and inductively coupled plasma mass spectrometry were applied to investigate organic matters and 18 mineral elements in porcini mushrooms of six species collected from 17 sampling sites in nine Yunnan cities. Classification models on the species, regions, and part levels were established using sparse partial least square-discriminant analysis and principal component analysis. At the species level and region level accuracies of greater than 92.1% and 92.8% was achieved, respectively, whereas on the part level caps and stipes were classified with 96.7% accuracy. One of the most popular mushrooms is Boletus edulis characterized by polysaccharide, lipid, and ribonucleic acid as well as several phenolic compounds. Temperature and precipitation show possible influences on accumulations of polysaccharides and ribonucleic acid. Furthermore, the most important elements of caps contributed the difference between two parts are copper (Cu), zinc (Zn), and phosphorus (P), whereas stipes instead by manganese (Mn) and cobalt (Co). These results demonstrated that FT-IR spectroscopy and elements contents provide information sufficient for classifying different porcini mushroom samples, which might be helpful for controlling food security and quality assessment of edible mushrooms.


Assuntos
Agaricales/química , Minerais/análise , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Agaricales/classificação , China , Análise Discriminante , Geografia , Análise dos Mínimos Quadrados , Análise de Componente Principal
14.
Aquat Toxicol ; 214: 105232, 2019 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31271907

RESUMO

Understanding the mode of action of the different pollutants in human and wildlife health is a key step in environmental risk assessment. The aim of this study was to determine signatures that could link morphological phenotypes to the toxicity mechanisms of four Endocrine Disrupting Chemicals (EDCs): bisphenol A (BPA), perfluorooctanesulfonate potassium salt (PFOS), tributyltin chloride (TBT), and 17-ß-estradiol (E2). Zebrafish (Danio rerio) eleutheroembryos were exposed from 2 to 5 dpf to a wide range of BPA, PFOS, TBT and E2 concentrations. At the end of the exposures several morphometric features were assessed. Common and non-specific effects on larvae pigmentation or swim bladder area were observed after exposures to all compounds. BPA specifically induced yolk sac malabsorption syndrome and altered craniofacial parameters, whereas PFOS had specific effects on the notochord formation presenting higher rates of scoliosis and kyphosis. The main effect of E2 was an increase in the body length of the exposed eleutheroembryos. In the case of TBT, main alterations on the morphological traits were related to developmental delays. When integrating all morphometrical parameters, BPA showed the highest rates of malformations in terms of equilethality, followed by PFOS and, distantly, by TBT and E2. In the case of BPA and PFOS, we were able to relate our results with effects on the transcriptome and metabolome, previously reported. We propose that methodized morphometric analyses in zebrafish embryo model can be used as an inexpensive and easy screening tool to predict modes of action of a wide-range number of contaminants.


Assuntos
Embrião não Mamífero/anatomia & histologia , Embrião não Mamífero/efeitos dos fármacos , Disruptores Endócrinos/toxicidade , Peixe-Zebra/anatomia & histologia , Peixe-Zebra/embriologia , Ácidos Alcanossulfônicos/toxicidade , Animais , Compostos Benzidrílicos/toxicidade , Desenvolvimento Embrionário/efeitos dos fármacos , Poluentes Ambientais/farmacologia , Estradiol/toxicidade , Fluorcarbonetos/toxicidade , Humanos , Larva/efeitos dos fármacos , Análise dos Mínimos Quadrados , Análise Multivariada , Fenóis/toxicidade , Análise de Componente Principal , Análise de Sobrevida , Testes de Toxicidade , Compostos de Trialquitina/toxicidade , Poluentes Químicos da Água/toxicidade
15.
Aquat Toxicol ; 214: 105243, 2019 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31319294

RESUMO

Glyphosate is one of the most widely used pesticides in the world and can be transported easily by surface runoff, air, and rivers, potentially affecting aquaculture. In this study, the survival rate, intestinal and hepatopancreatic immune and digestive functions, and the intestinal microbial diversity of Chinese mitten crab (Eriocheir sinensis) were evaluated after 7 days of exposure to glyphosate (48.945 mg/L from 1/2 96-h LC50 value). The results showed that glyphosate significantly reduced the survival rate of E. sinensis. After exposure to glyphosate, the totoal antioxidant capacity (T-AOC) in the midgut and hindgut of E. sinensis was significantly decreased, and malondialdehyde (MDA) content in the midgut was significantly increased (P < 0.05). After glyphosate exposure, the activities of digestive enzymes (including lipase and amylase) in the intestinal tract were significantly decreased and trypsin was significantly increased, while three enzymes in the hepatopancreas were significantly increased (P < 0.05). Using high-throughput sequencing analysis of the gut microbiota, the results showed that glyphosate significantly decreased the diversity of E. sinensis gut microbiota, while significantly increasing the taxonomic richness of Bacteroidetes and Proteobacteria (P < 0.05). This study suggested that these bacteria may be involved in glyphosate effects on survival by regulation of immune and digestive function.


Assuntos
Braquiúros/imunologia , Braquiúros/microbiologia , Digestão/efeitos dos fármacos , Microbioma Gastrointestinal/efeitos dos fármacos , Glicina/análogos & derivados , Herbicidas/toxicidade , Imunidade Inata/efeitos dos fármacos , Animais , Antioxidantes/farmacologia , Sequência de Bases , Biodiversidade , Braquiúros/efeitos dos fármacos , Braquiúros/enzimologia , Análise Discriminante , Glicina/toxicidade , Hepatopâncreas/efeitos dos fármacos , Hepatopâncreas/enzimologia , Hepatopâncreas/microbiologia , Intestinos/efeitos dos fármacos , Intestinos/enzimologia , Intestinos/microbiologia , Análise dos Mínimos Quadrados , Filogenia , Análise de Componente Principal , Poluentes Químicos da Água/toxicidade
16.
Food Chem ; 299: 125099, 2019 Nov 30.
Artigo em Inglês | MEDLINE | ID: mdl-31299513

RESUMO

Applying methyl jasmonate can mimic the defense response to insect damage in broccoli and enhances the production of glucosinolates, especially inducible indolyl GS-neoglucobrassicin. Previous studies have suggested that glucosinolates and their hydrolysis products are anti-carcinogenic. Therefore, MeJA treatment may increase the nutritional quality of broccoli. However, there are few reports on the sensory evaluation and consumer acceptance of MeJA-treated broccoli. In this study, an untrained consumer panel could not detect any taste differences between steamed MeJA-treated and untreated broccoli, even though the steamed MeJA-treated broccoli contained 50% more glucosinolates than untreated broccoli. The partial least square-regression model suggested that neoglucobrassicin-derived hydrolysis compounds were the major metabolites that determined overall preference for raw MeJA-treated broccoli potentially due to their potential negative sensory qualities. The results imply that MeJA treatment can increase the nutritional quality of broccoli without sacrificing taste in precooked meals or frozen vegetables.


Assuntos
Acetatos/farmacologia , Brassica/efeitos dos fármacos , Brassica/metabolismo , Comportamento do Consumidor , Ciclopentanos/farmacologia , Glucosinolatos/metabolismo , Oxilipinas/farmacologia , Adolescente , Adulto , Feminino , Glucosinolatos/análise , Humanos , Hidrólise , Indóis/metabolismo , Análise dos Mínimos Quadrados , Masculino , Pessoa de Meia-Idade , Valor Nutritivo , Vapor , Paladar
17.
Food Chem ; 298: 125003, 2019 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-31260957

RESUMO

The oral breakdown, sensory properties, and volatile release during mastication of white bread were investigated. The results of correlation analysis for white bread's physical properties and it's oral physiological parameters during chewing have elucidated that bread's physical properties determined the oral processing behavior. During chewing of white bread, 15 dominant ions with regularly changing patterns were monitored by proton transfer reaction-mass spectrometry (PTR-MS). These dominant ions derived from 32 volatile compounds were further confirmed by pure standards. Partial least squares regression (PLSR) analysis was used to explore the positive correlations between the sensory analysis and the dominant aroma compounds. Results have shown that 9 aroma compounds were predicted as the potent odorants contributing to the changes in aroma profiles. Finally, 3-hydroxy-2-butanone, 2-methyl-1-propanol, and heptanoic acid were confirmed as the key aroma compounds contributing to the changes in aroma profiles of white bread before and after chewing.


Assuntos
Pão , Mastigação , Odorantes/análise , Compostos Orgânicos Voláteis/análise , Acetoína/análise , Adulto , Pão/análise , Butanóis/análise , Feminino , Cromatografia Gasosa-Espectrometria de Massas/métodos , Cromatografia Gasosa-Espectrometria de Massas/estatística & dados numéricos , Ácidos Heptanoicos/análise , Humanos , Análise dos Mínimos Quadrados , Masculino , Espectrometria de Massas/métodos , Espectrometria de Massas/estatística & dados numéricos , Saliva/química , Microextração em Fase Sólida/métodos , Paladar , Triticum/química
18.
Food Chem ; 300: 125227, 2019 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-31351262

RESUMO

Indirect measurements of taste-related compounds are required when a high number of samples has to be analyzed in a short period of time, with a minimum cost. For this purpose, FT-MIR partial least square (PLS) regression models for the prediction of total soluble solids, sugars and organic acids have been developed using three sample sets including breeding lines and commercial varieties of watermelon. Specific models with excellent performance were obtained only for sugars. Nevertheless, a general model supposed a compromise between the best and worse models and offered %RMSEP values of 11.3%, 11.1% and 11.7% for fructose, glucose and sucrose respectively. The model was applied to the selection of high content samples (selection pressure 20% and 30%) obtaining good sensitivity levels and mean percentile of selected samples close to the expected values (100% sensitivity). The robustness of FT-MIR models was assessed with predictions of external assays, obtaining reasonable performances.


Assuntos
Ácido Cítrico/análise , Citrullus/química , Análise de Alimentos/métodos , Malatos/análise , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Açúcares/análise , Análise de Alimentos/estatística & dados numéricos , Análise dos Mínimos Quadrados , Espectroscopia de Infravermelho com Transformada de Fourier/estatística & dados numéricos , Paladar
19.
Food Chem ; 298: 125069, 2019 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-31260991

RESUMO

The effects of ethanol treatment on quality characteristics of cherry tomatoes were investigated over 11 days of storage at room temperature (25 °C). Results showed that sensory quality was improved after ethanol treatment, with redder, softer fruits at the edible stage (11 days) compared with control fruit. In addition, the contents of ascorbic acid, sucrose and fructose were elevated after ethanol treatment as well as the concentration of 6-methyl-5-hepten-2-one. Conversely, decreased levels of methyl salicylate (MeSA), guaiacol, (Z)-3-hexenal and (E)-2-hexenal were observed. Selected consumers showed a preference for ethanol-treated cherry tomato fruits compared with controls. Taken together, 0.1% ethanol application has the potential to improve the quality characteristics of cherry tomatoes stored at room temperature.


Assuntos
Etanol/farmacologia , Lycopersicon esculentum/efeitos dos fármacos , Aldeídos/química , Ácido Ascórbico/análise , Cromatografia Líquida de Alta Pressão , Análise Discriminante , Aromatizantes/análise , Frutas/química , Frutas/efeitos dos fármacos , Frutas/metabolismo , Humanos , Análise dos Mínimos Quadrados , Lycopersicon esculentum/química , Lycopersicon esculentum/metabolismo , Salicilatos/química , Açúcares/análise , Temperatura Ambiente , Compostos Orgânicos Voláteis/análise , Compostos Orgânicos Voláteis/isolamento & purificação
20.
AAPS PharmSciTech ; 20(5): 207, 2019 Jun 03.
Artigo em Inglês | MEDLINE | ID: mdl-31161397

RESUMO

The use of inkjet printing for pharmaceutical manufacturing is gaining interest for production of personalized dosage forms tailored to specific patients. As part of the manufacturing, it is imperative to ensure that the correct dose is printed. The aim of this study was to use inkjet printing for manufacturing of personalized dosage forms combined with the use of near-infrared (NIR) and Raman spectroscopy as complementary analytical techniques for active pharmaceutical ingredient (API) quantification of the inkjet-printed dosage forms. Three APIs, propranolol (0.5-4.1 mg), montelukast (2.1-12.1 mg), and haloperidol (0.6-4.1 mg) were inkjet printed in 1 cm2 areas on a porous substrate. The printed doses were non-destructively analyzed by transmission NIR and Raman spectroscopy (both transmission and backscatter). X-ray computed microtomography (µ-CT) analysis was undertaken for porosity measurements of the substrate. The API content was confirmed using high-performance liquid chromatography (HPLC), and the content in the dosage forms was modeled from the NIR and Raman spectra using partial least squares regression (PLS). HPLC analysis revealed a linear correlation of the number of layers printed to the API content. The resulting PLS models for both NIR and Raman had R2 values between 0.95 and 0.99. The best predictive model was obtained using NIR, followed by Raman spectroscopy. µ-CT revealed the substrate to be highly porous and optimal for inkjet printing. In conclusion, NIR and Raman spectroscopic techniques could be used complementary as fast API quantification tools for inkjet-printed medicines.


Assuntos
Preparações Farmacêuticas/química , Impressão Tridimensional , Análise Espectral Raman/métodos , Cromatografia Líquida de Alta Pressão/métodos , Humanos , Análise dos Mínimos Quadrados , Preparações Farmacêuticas/análise , Porosidade , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Microtomografia por Raio-X/métodos
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