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1.
BMC Bioinformatics ; 25(1): 173, 2024 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-38693489

RESUMO

Principal component analysis (PCA) is an important and widely used unsupervised learning method that determines population structure based on genetic variation. Genome sequencing of thousands of individuals usually generate tens of millions of SNPs, making it challenging for PCA analysis and interpretation. Here we present VCF2PCACluster, a simple, fast and memory-efficient tool for Kinship estimation, PCA and clustering analysis, and visualization based on VCF formatted SNPs. We implemented five Kinship estimation methods and three clustering methods for its users to choose from. Moreover, unlike other PCA tools, VCF2PCACluster possesses a clustering function based on PCA result, which enabling users to automatically and clearly know about population structure. We demonstrated the same accuracy but a higher performance of this tool in performing PCA analysis on tens of millions of SNPs compared to another popular PLINK2 software, especially in peak memory usage that is independent of the number of SNPs in VCF2PCACluster.


Assuntos
Polimorfismo de Nucleotídeo Único , Análise de Componente Principal , Software , Análise por Conglomerados , Humanos
2.
BMC Bioinformatics ; 25(1): 94, 2024 Mar 04.
Artigo em Inglês | MEDLINE | ID: mdl-38438850

RESUMO

BACKGROUND: Analysis of time-resolved postprandial metabolomics data can improve the understanding of metabolic mechanisms, potentially revealing biomarkers for early diagnosis of metabolic diseases and advancing precision nutrition and medicine. Postprandial metabolomics measurements at several time points from multiple subjects can be arranged as a subjects by metabolites by time points array. Traditional analysis methods are limited in terms of revealing subject groups, related metabolites, and temporal patterns simultaneously from such three-way data. RESULTS: We introduce an unsupervised multiway analysis approach based on the CANDECOMP/PARAFAC (CP) model for improved analysis of postprandial metabolomics data guided by a simulation study. Because of the lack of ground truth in real data, we generate simulated data using a comprehensive human metabolic model. This allows us to assess the performance of CP models in terms of revealing subject groups and underlying metabolic processes. We study three analysis approaches: analysis of fasting-state data using principal component analysis, T0-corrected data (i.e., data corrected by subtracting fasting-state data) using a CP model and full-dynamic (i.e., full postprandial) data using CP. Through extensive simulations, we demonstrate that CP models capture meaningful and stable patterns from simulated meal challenge data, revealing underlying mechanisms and differences between diseased versus healthy groups. CONCLUSIONS: Our experiments show that it is crucial to analyze both fasting-state and T0-corrected data for understanding metabolic differences among subject groups. Depending on the nature of the subject group structure, the best group separation may be achieved by CP models of T0-corrected or full-dynamic data. This study introduces an improved analysis approach for postprandial metabolomics data while also shedding light on the debate about correcting baseline values in longitudinal data analysis.


Assuntos
Medicina , Metabolômica , Humanos , Simulação por Computador , Análise de Dados , Nível de Saúde
3.
Planta ; 259(3): 54, 2024 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-38294548

RESUMO

MAIN CONCLUSION: Using Raman micro-spectroscopy on tef roots, we could monitor cell wall maturation in lines with varied genetic lodging tendency. We describe the developing cell wall composition in root endodermis and cylinder tissue. Tef [Eragrostis tef (Zucc.) Trotter] is an important staple crop in Ethiopia and Eritrea, producing gluten-free and protein-rich grains. However, this crop is not adapted to modern farming practices due to high lodging susceptibility, which prevents the application of mechanical harvest. Lodging describes the displacement of roots (root lodging) or fracture of culms (stem lodging), forcing plants to bend or fall from their vertical position, causing significant yield losses. In this study, we aimed to understand the microstructural properties of crown roots, underlining tef tolerance/susceptibility to lodging. We analyzed plants at 5 and 10 weeks after emergence and compared trellised to lodged plants. Root cross sections from different tef genotypes were characterized by scanning electron microscopy, micro-computed tomography, and Raman micro-spectroscopy. Lodging susceptible genotypes exhibited early tissue maturation, including developed aerenchyma, intensive lignification, and lignin with high levels of crosslinks. A comparison between trellised and lodged plants suggested that lodging itself does not affect the histology of root tissue. Furthermore, cell wall composition along plant maturation was typical to each of the tested genotypes independently of trellising. Our results suggest that it is possible to select lines that exhibit slow maturation of crown roots. Such lines are predicted to show reduction in lodging and facilitate mechanical harvest.


Assuntos
Eragrostis , Microtomografia por Raio-X , Agricultura , Diferenciação Celular , Parede Celular
4.
Int J Legal Med ; 2024 Jul 13.
Artigo em Inglês | MEDLINE | ID: mdl-38997516

RESUMO

Despite the improvements in forensic DNA quantification methods that allow for the early detection of low template/challenged DNA samples, complicating stochastic effects are not revealed until the final stage of the DNA analysis workflow. An assay that would provide genotyping information at the earlier stage of quantification would allow examiners to make critical adjustments prior to STR amplification allowing for potentially exclusionary information to be immediately reported. Specifically, qPCR instruments often have dissociation curve and/or high-resolution melt curve (HRM) capabilities; this, coupled with statistical prediction analysis, could provide additional information regarding STR genotypes present. Thus, this study aimed to evaluate Qiagen's principal component analysis (PCA)-based ScreenClust® HRM® software and a linear discriminant analysis (LDA)-based technique for their abilities to accurately predict genotypes and similar groups of genotypes from HRM data. Melt curves from single source samples were generated from STR D5S818 and D18S51 amplicons using a Rotor-Gene® Q qPCR instrument and EvaGreen® intercalating dye. When used to predict D5S818 genotypes for unknown samples, LDA analysis outperformed the PCA-based method whether predictions were for individual genotypes (58.92% accuracy) or for geno-groups (81.00% accuracy). However, when a locus with increased heterogeneity was tested (D18S51), PCA-based prediction accuracy rates improved to rates similar to those obtained using LDA (45.10% and 63.46%, respectively). This study provides foundational data documenting the performance of prediction modeling for STR genotyping based on qPCR-HRM data. In order to expand the forensic applicability of this HRM assay, the method could be tested with a more commonly utilized qPCR platform.

5.
Scand J Med Sci Sports ; 34(7): e14691, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38970442

RESUMO

Quantifying movement coordination in cross-country (XC) skiing, specifically the technique with its elemental forms, is challenging. Particularly, this applies when trying to establish a bidirectional transfer between scientific theory and practical experts' knowledge as expressed, for example, in ski instruction curricula. The objective of this study was to translate 14 curricula-informed distinct elements of the V2 ski-skating technique (horizontal and vertical posture, lateral tilt, head position, upper body rotation, arm swing, shoulder abduction, elbow flexion, hand and leg distance, plantar flexion, ski set-down, leg push-off, and gliding phase) into plausible, valid and applicable measures to make the technique training process more quantifiable and scientifically grounded. Inertial measurement unit (IMU) data of 10 highly experienced XC skiers who demonstrated the technique elements by two extreme forms each (e.g., anterior versus posterior positioning for the horizontal posture) were recorded. Element-specific principal component analyses (PCAs)-driven by the variance produced by the technique extremes-resulted in movement components that express quantifiable measures of the underlying technique elements. Ten measures were found to be sensitive in distinguishing between the inputted extreme variations using statistical parametric mapping (SPM), whereas for four elements the SPM did not detect differences (lateral tilt, plantar flexion, ski set-down, and leg push-off). Applicability of the established technique measures was determined based on quantifying individual techniques through them. The study introduces a novel approach to quantitatively assess V2 ski-skating technique, which might help to enhance technique feedback and bridge the communication gap that often exists between practitioners and scientists.


Assuntos
Postura , Análise de Componente Principal , Esqui , Esqui/fisiologia , Humanos , Masculino , Postura/fisiologia , Fenômenos Biomecânicos , Adulto , Movimento/fisiologia , Feminino , Adulto Jovem , Braço/fisiologia , Ombro/fisiologia , Rotação
6.
BMC Public Health ; 24(1): 885, 2024 Mar 22.
Artigo em Inglês | MEDLINE | ID: mdl-38519902

RESUMO

There is voluminous literature on Food Security in Africa. This study explicitly considers the spatio-temporal factors in addition to the usual FAO-based metrics in modeling and understanding the dynamics of food security and nutrition across the African continent. To better understand the complex trajectory and burden of food insecurity and nutrition in Africa, it is crucial to consider space-time factors when modeling and interpreting food security. The spatio-temporal anova model was found to be superior(employing statistical criteria) to the other three models from the spatio-temporal interaction domain models. The results of the study suggest that dietary supply adequacy, food stability, and consumption status are positively associated with severe food security, while average food supply and environmental factors have negative effects on Food Security and Nutrition. The findings also indicate that severe food insecurity and malnutrition are spatially and temporally correlated across the African continent. Spatio-temporal modeling and spatial mapping are essential components of a comprehensive practice to reduce the burden of severe food insecurity. likewise, any planning and intervention to improve the average food supply and environment to promote sustainable development should be regional instead of one size fit all.


Assuntos
Desnutrição , Humanos , Desnutrição/epidemiologia , Estado Nutricional , Dieta , África , Abastecimento de Alimentos/métodos , Segurança Alimentar
7.
Biomed Chromatogr ; 38(6): e5865, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38514246

RESUMO

The aim of this work was to explore the differences between various pharmaceutical processes in combined solutions of a single decoction (QGHBY) and a combined decoction (QGHJY) of Qi-Ge decoction from the perspective of chemical composition changes, so as to further guide the clinical application of drugs. A combined solution of a single decoction and a combined decoction of Astragali Radix, Puerariae Lobatae Radix and Citri Reticulatae Chachiensis Pericarpium was prepared with the same technological parameters. The chemical components of the two were detected and identified based on UPLC-Q-TOF/MS, and the different components were determined by principal component analysis. Eighty-eight compounds were identified in the pharmaceutical solution of Qi-Ge decoction. Principal component analysis revealed 11 different components of QGHBY and QGHJY with the conditions of Variable Importance in Projection (VIP) ≥ 1, fold change ≥ 2 and p < 0.05, among which hesperidin, hesperitin, isosinensetin, sinensetin and 5-demethylnobiletin were the components of Citri Reticulatae Chachiensis Pericarpium. The levels of these 11 different components in QGHJY were higher than those of QGHBY. The combined decoction is beneficial for the dissolution of flavonoids and other chemical components, and there is a significant difference in the content of chemical components between modern herbal concentrate granules and traditional decoctions.


Assuntos
Medicamentos de Ervas Chinesas , Espectrometria de Massas , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Cromatografia Líquida de Alta Pressão/métodos , Espectrometria de Massas/métodos , Análise de Componente Principal , Flavonoides/análise , Flavonoides/química
8.
Sensors (Basel) ; 24(13)2024 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-39000902

RESUMO

The potential for rotor component shedding in rotating machinery poses significant risks, necessitating the development of an early and precise fault diagnosis technique to prevent catastrophic failures and reduce maintenance costs. This study introduces a data-driven approach to detect rotor component shedding at its inception, thereby enhancing operational safety and minimizing downtime. Utilizing frequency analysis, this research identifies harmonic amplitudes within rotor vibration data as key indicators of impending faults. The methodology employs principal component analysis (PCA) to orthogonalize and reduce the dimensionality of vibration data from rotor sensors, followed by k-fold cross-validation to select a subset of significant features, ensuring the detection algorithm's robustness and generalizability. These features are then integrated into a linear discriminant analysis (LDA) model, which serves as the diagnostic engine to predict the probability of rotor component shedding. The efficacy of the approach is demonstrated through its application to 16 industrial compressors and turbines, proving its value in providing timely fault warnings and enhancing operational reliability.

9.
Sensors (Basel) ; 24(2)2024 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-38257428

RESUMO

The implementation of power line communications (PLC) in smart electricity grids provides us with exciting opportunities for real-time cable monitoring. In particular, effective fault classification and estimation methods employing machine learning (ML) models have been proposed in the recent past. Often, the research works presenting PLC for ML-aided cable diagnostics are based on the study of synthetically generated channel data. In this work, we validate ML-aided diagnostics by integrating measured channels. Specifically, we consider the concatenation of clustering as a data pre-processing procedure and principal component analysis (PCA)-based dimension reduction for cable anomaly detection. Clustering and PCA are trained with measurement data when the PLC network is working under healthy conditions. A possible cable anomaly is then identified from the analysis of the PCA reconstruction error for a test sample. For the numerical evaluation of our scheme, we apply an experimental setup in which we introduce degradations to power cables. Our results show that the proposed anomaly detector is able to identify a cable degradation with high detection accuracy and low false alarm rate.

10.
Drug Dev Ind Pharm ; : 1-9, 2024 Jul 12.
Artigo em Inglês | MEDLINE | ID: mdl-38980706

RESUMO

OBJECTIVE: To develop a Raman spectroscopy-based analytical model for quantification of solid dosage forms of active pharmaceutical ingredient (API) of Atenolol.Significance: For the quantitative analysis of pharmaceutical drugs, Raman Spectroscopy is a reliable and fast detection method. As part of this study, Raman Spectroscopy is explored for the quantitative analysis of different concentrations of Atenolol. METHODS: Various solid-dosage forms of Atenolol were prepared by mixing API with excipients to form different solid-dosage formulations of Atenolol. Multivariate data analysis techniques, such as Principal Component Analysis (PCA) and Partial least square regression (PLSR) were used for the qualitative and quantitative analysis, respectively. RESULTS: As the concentration of the drug increased in formulation, the peak intensities of the distinctive Raman spectral characteristics associated with the API (Atenolol) gradually increased. Raman spectral data sets were classified using PCA due to their distinctive spectral characteristics. Additionally, a prediction model was built using PLSR analysis to assess the quantitative relationship between various API (Atenolol) concentrations and spectral features. With a goodness of fit value of 0.99, the root mean square errors of calibration (RMSEC) and prediction (RMSEP) were determined to be 1.0036 and 2.83 mg, respectively. The API content in the blind/unknown Atenolol formulation was determined as well using the PLSR model. CONCLUSIONS: Based on these results, Raman spectroscopy may be used to quickly and accurately analyze pharmaceutical samples and for their quantitative determination.

11.
J Environ Manage ; 359: 120933, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38696848

RESUMO

Groundwater serves as an important resource for drinking and agriculture in many countries, including India. Assessing the quality of groundwater is essential for understanding its chemical characteristics and suitability for consumption. This study aims to explore the factors affecting the hydrogeochemical changes in groundwater within Guwahati City, Assam, India. Groundwater samples were collected and analyzed for major and trace elements, as well as anion concentrations. Concentrations of As, Al, Ba, Cu, F-, Fe, Mn, and Pb exceeded the permissible limits set by both World Health Organization (WHO) and Bureau of Indian Standards (BIS), indicating serious health concerns for the local inhabitants. The distribution pattern of trace elements exceeding the guideline values is intricate, suggesting widespread contamination of groundwater throughout the study area. The Heavy Metal Pollution Index (HPI) and Water Quality Index (WQI) revealed that, except for the central zone, groundwater across the entire study area requires intervention. Piper plot illustrated that the groundwater is predominantly of Ca-HCO3 type, indicating the dominance of alkaline earth and weak acids. Groundwater hydrogeochemistry is mainly controlled by rock-water interaction and evolves through silicate weathering, carbonate weathering, and cation exchange processes. Multivariate statistical analysis identified distinct groups of groundwater based on chemical characteristics, emphasizing the role of both natural processes and anthropogenic activities in influencing groundwater quality. Regular monitoring, management, and intervention of groundwater sources throughout the study area are crucial for long-term use. The findings of this study will assist stakeholders, regulators, and policymakers in formulating strategies for the sustainable use of groundwater.


Assuntos
Monitoramento Ambiental , Água Subterrânea , Poluentes Químicos da Água , Água Subterrânea/química , Água Subterrânea/análise , Índia , Poluentes Químicos da Água/análise , Metais Pesados/análise , Oligoelementos/análise , Qualidade da Água
12.
J Environ Manage ; 350: 119609, 2024 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-37995484

RESUMO

Water is a limited and invaluable resource that is essential for human survival. Negligence and unregulated water use have brought about a global water crisis. Proper management with a relevant decision and information integration approach can aid water to continue as a renewable resource. The water and wastewater industry must shift from outmoded, inefficient techniques to more sustainable, data-driven solutions to address water concerns and improve public health. The Internet of Things (IoT) has emerged as an innovative strategy for decision and information integration to drive an open-loop Water Value Chain (WVC) efficiently. The IoT-driven network allows objects to connect and communicate, gather data in real-time, analyze data and develop reasonable decision - making insights instantaneously. This study aims to find the enablers of IoT for an open-loop WVC. It examines 25 factors for IoT implementation in the open-loop WVC. The 25 factors are clustered into seven enablers using Principal Component Analysis (PCA). These principal components are analyzed by employing a Multi-Criteria Decision Making (MCDM) approach, i.e., the Fuzzy Decision-Making Trial and Evaluation Laboratory (DEMATEL), which helps to find the cause-effect relationship to prioritize the enablers. The fuzzy set theory is used to address the uncertainty and vagueness in experts' opinions and data deficiency problems. The study reveals that the Ecosystem of an IoT network, IoT network configuration and adaptation and data mobility in an IoT network are the most prominent enablers to consider for the implementation of IoT in an open loop WVC. The study may be helpful for regulatory agencies and enterprises in water distribution and processing for identifying and prioritizing the potential enablers of IoT in an open-loop WVC.


Assuntos
Internet das Coisas , Humanos , Incerteza , Água , Recursos Hídricos
13.
Molecules ; 29(9)2024 May 06.
Artigo em Inglês | MEDLINE | ID: mdl-38731651

RESUMO

The main objective of this study was to investigate the metabolism of miconazole, an azole antifungal drug. Miconazole was subjected to incubation with human liver microsomes (HLM) to mimic phase I metabolism reactions for the first time. Employing a combination of an HLM assay and UHPLC-HRMS analysis enabled the identification of seven metabolites of miconazole, undescribed so far. Throughout the incubation with HLM, miconazole underwent biotransformation reactions including hydroxylation of the benzene ring and oxidation of the imidazole moiety, along with its subsequent degradation. Additionally, based on the obtained results, screen-printed electrodes (SPEs) were optimized to simulate the same biotransformation reactions, by the use of a simple, fast, and cheap electrochemical method. The potential toxicity of the identified metabolites was assessed using various in silico models.


Assuntos
Espectrometria de Massas , Miconazol , Microssomos Hepáticos , Miconazol/química , Miconazol/metabolismo , Humanos , Cromatografia Líquida de Alta Pressão/métodos , Microssomos Hepáticos/metabolismo , Espectrometria de Massas/métodos , Técnicas Eletroquímicas/métodos , Antifúngicos/química , Antifúngicos/metabolismo , Biotransformação
14.
Molecules ; 29(9)2024 Apr 25.
Artigo em Inglês | MEDLINE | ID: mdl-38731461

RESUMO

This present study aims to characterize the essential oil compositions of the aerial parts of M. spicata L. and endemic M. longifolia ssp. cyprica (Heinr. Braun) Harley by using GC-FID and GC/MS analyses simultaneously. In addition, it aims to perform multivariate statistical analysis by comparing with the existing literature, emphasizing the literature published within the last two decades, conducted on both species growing within the Mediterranean Basin. The major essential oil components of M. spicata were determined as carvone (67.8%) and limonene (10.6%), while the major compounds of M. longifolia ssp. cyprica essential oil were pulegone (64.8%) and 1,8-cineole (10.0%). As a result of statistical analysis, three clades were determined for M. spicata: a carvone-rich chemotype, a carvone/trans-carveol chemotype, and a pulegone/menthone chemotype, with the present study result belonging to the carvone-rich chemotype. Carvone was a primary determinant of chemotype, along with menthone, pulegone, and trans-carveol. In M. longifolia, the primary determinants of chemotype were identified as pulegone and menthone, with three chemotype clades being pulegone-rich, combined menthone/pulegone, and combined menthone/pulegone with caryophyllene enrichment. The primary determinants of chemotype were menthone, pulegone, and caryophyllene. The present study result belongs to pulegone-rich chemotype.


Assuntos
Cromatografia Gasosa-Espectrometria de Massas , Mentha spicata , Mentha , Óleos Voláteis , Óleos Voláteis/química , Mentha/química , Mentha spicata/química , Análise Multivariada , Região do Mediterrâneo , Monoterpenos Cicloexânicos/química , Monoterpenos Cicloexânicos/análise , Monoterpenos/química , Monoterpenos/análise , Limoneno/química , Terpenos/química , Terpenos/análise , Mentol
15.
Environ Geochem Health ; 46(4): 134, 2024 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-38483664

RESUMO

Familiarity with the chemical characteristics of regional groundwater can provide important guidance and reference for the development of regional groundwater exploitation. Jianghan Plain has been reported to have high groundwater total hardness (TH), resulting in the inability of local groundwater to be directly used as drinking water. In order to explore the causes of high TH, the paper analyzed the hydrochemical characteristics of shallow groundwater in Jianghan Plain combined with software of SPSS, JMP, and PHEEQC. The results showed that the cations in the groundwater in the area were mainly Ca2+, while the anions were mainly HCO3-. 20% of groundwater exceed the China national guideline for TH (i.e., 450 mg/L). The groundwater chemistry in the study area was controlled by three main factors of dissolution of carbonate rocks, human activities, and redox conditions, among which the interaction between water and rock had the greatest impact. The water carbonate rock interaction within Jianghan Plain was affected by various factors such as water flow and aquifers and showed a gradually weakening trend from west to east. This work not only strengthened the understanding of the causes of the high TH of groundwater in the region, but also provided reference value for regional groundwater environmental management.


Assuntos
Água Potável , Água Subterrânea , Poluentes Químicos da Água , Humanos , Monitoramento Ambiental/métodos , Dureza , Poluentes Químicos da Água/análise , Água Subterrânea/análise , Qualidade da Água , Água Potável/análise , China , Carbonatos/análise
16.
Artigo em Inglês | MEDLINE | ID: mdl-39023692

RESUMO

Blood is commonly discovered at crime scenes in various forms, including stains, dried residue, pools, and fingerprints on assorted surfaces. Estimating the age of bloodstains is a crucial aspect of reconstructing crime scenes. This research aimed to investigate how the nature of different surfaces affects the estimation of bloodstain age, utilizing a reliable and non-destructive approach. The study employed ATR-FTIR spectroscopy in conjunction with Chemometric techniques such as PCA (Principal Component Analysis) and OPLSR (Orthogonal Signal Correction Partial Least Square Regression Analysis) to analyze spectral data and develop regression models for estimating bloodstain age on cement, metal, and wooden surfaces for up to eleven days. The chemometric models for bloodstains on all three substrates demonstrated strong performance, with predictive Root Mean Square Error (RMSE) values ranging from 1.1 to 1.43 and R2 values from 0.84 to 0.89. Notably, the model developed for metal surfaces was found to be the most accurate with minimal prediction error. The findings of the study showed that the porosity of the substrates upon which bloodstains were found had a discernible influence on the age-related transformations observed in bloodstains; the majority of which occured within the spectral range of 2800 cm- 1 to 3500 cm- 1.

17.
Molecules ; 29(1)2023 Dec 31.
Artigo em Inglês | MEDLINE | ID: mdl-38202813

RESUMO

Nowadays, the quality of natural products is an issue of great interest in our society due to the increase in adulteration cases in recent decades. Coffee, one of the most popular beverages worldwide, is a food product that is easily adulterated. To prevent fraudulent practices, it is necessary to develop feasible methodologies to authenticate and guarantee not only the coffee's origin but also its variety, as well as its roasting degree. In the present study, a C18 reversed-phase liquid chromatography (LC) technique coupled to high-resolution mass spectrometry (HRMS) was applied to address the characterization and classification of Arabica and Robusta coffee samples from different production regions using chemometrics. The proposed non-targeted LC-HRMS method using electrospray ionization in negative mode was applied to the analysis of 306 coffee samples belonging to different groups depending on the variety (Arabica and Robusta), the growing region (e.g., Ethiopia, Colombia, Nicaragua, Indonesia, India, Uganda, Brazil, Cambodia and Vietnam), and the roasting degree. Analytes were recovered with hot water as the extracting solvent (coffee brewing). The data obtained were considered the source of potential descriptors to be exploited for the characterization and classification of the samples using principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA). In addition, different adulteration cases, involving nearby production regions and different varieties, were evaluated by pairs (e.g., Vietnam Arabica-Vietnam Robusta, Vietnam Arabica-Cambodia and Vietnam Robusta-Cambodia). The coffee adulteration studies carried out with partial least squares (PLS) regression demonstrated the good capability of the proposed methodology to quantify adulterant levels down to 15%, accomplishing calibration and prediction errors below 2.7% and 11.6%, respectively.


Assuntos
Quimiometria , Café , Espectrometria de Massa com Cromatografia Líquida , Bebidas , Espectrometria de Massas
18.
Materials (Basel) ; 17(12)2024 Jun 13.
Artigo em Inglês | MEDLINE | ID: mdl-38930267

RESUMO

The literature shows that a circular economy can benefit some sectors such as the construction industry. This sector demands huge amounts of raw materials and produces waste when buildings and structures are demolished. This paper explores the possibility of manufacturing at industrial scale paving blocks using different types of construction and demolition wastes as aggregates, without modifying the commonly used industrial conditions. A total of four different recycled aggregates were used in this research. Both natural and recycled aggregates have been characterized. The dosages were optimized (three different formulations). Prefabricated tests have been carried out on the products manufactured in industrial plants and the evolution of mechanical properties over time has been analysed. The results obtained were analysed statistically by applying the principal component analysis (PCA) method. To ensure the security of the elements manufactured, the ionic leaching of the materials used as recycled aggregate and of the elements produced has been tested. The main implications of this research on the construction industry show that the majority of recycled aggregates used could replace 25% of the natural aggregate in manufactured precast concrete, that the properties of the aggregates should be taken into account in the different standards and that all paving blocks manufactured in this study can be considered environmentally safe (no risk of leaching) according to the Netherland Soil Quality Decree. Therefore, it is evident that it is possible to manufacture on an industrial scale paving blocks with mixed recycled aggregates, concrete and ceramic in nature, both with the fine and coarse fractions that meet the requirements of its reference standard UNE-EN 1338 and the Netherland Soil Quality Decree that evaluates environmental risks due to leaching.

19.
Med Biol Eng Comput ; 2024 May 13.
Artigo em Inglês | MEDLINE | ID: mdl-38735986

RESUMO

Alzheimer's disease (AD) is often mixed with cerebrovascular disease (AD-CVD). Heterogeneity of dementia etiology and the overlapping of neuropathological features of AD and AD-CVD make feature identification of the two challenging. Separation of AD from AD-CVD is important as the optimized treatment for each group may differ. Recent studies using vestibular responses recorded from electrovestibulography (EVestG™) have offered promising results for separating these two pathologies. An EVestG measurement records responses to several different physical stimuli (called tilts). In previous research, the number of EVestG features from different tilts was selected based on physiological intuition to classify AD from AD-CVD. As the number of potential characteristic features from all tilts can be very large, in this study, we used an algorithm based on principal component analysis (PCA) to rank the most effective vestibular stimuli for differentiating AD from AD-CVD. Analyses were performed on the EVestG signals of 28 individuals with AD and 24 with AD-CVD. The results of this study showed that tilts simulating the otolithic organs (utricle and saccule) generated the most characteristic features for separating AD from AD-CVD.

20.
Front Psychiatry ; 15: 1381133, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38855646

RESUMO

Objectives: The aim of the current study was 3-fold: 1) to examine the factorial structure of the Comprehensive Assessment of At-Risk Mental States (CAARMS) in help-seeking individuals undergoing an assessment on suspicion of psychosis risk; 2) to investigate the association of CAARMS factors with functioning; 3) and to test the association of any derived factors with the longitudinal outcome of transition to psychosis. Methods: The study included 101 patients. First, a principal component analysis (PCA) was conducted using the Varimax rotation method. A minimum initial eigenvalues of greater than or equal to 1.0, analysis of Scree plots, percentage of variance explained by each component, reliability (Cronbach's alpha) of factors above 0.7 and Parallel Analysis were the criteria used to determine the appropriate number of factors Second, Spearman correlations were run to analyze the relationship between CAARMS factors and sociodemographic and functional variables (i.e. age, schooling, Social and Occupational Functioning Assessment Scale-SOFAS- and Health of the Nation Outcome Scales-HoNOS- scores). Third, we performed a Logistic regression analysis to evaluate the association between baseline CAARMS factors and the risk of transition to psychosis at the 6-month follow-up. Results: A total of 101 consecutive patiens were recruited. We found that: 1) a 6 factor model solution as the most appropriate, jointly accounting for 65% of the variance; 2) factors 1 ("negative-interpersonal"), 2 ("cognitive-disorganization"), 3 ("positive"), and 4 ("motor-physical changes") were negatively correlated with SOFAS total score; factors 1, 2, and 3 showed positive correlations with HoNOS total score; factors 2 and 3 present similar patterns of correlations, factor 3 manifesting the strongest association with HoNOS symptoms, HONOS and SOFAS total score. Both factors 5 and 6 show significant associations with HoNOS behavioral impairment; 3) after 6 months 28 participants (30.1%) converted to psychosis. Factors 2 and 3 were positively associated with the risk of transition to psychosis; whereas, the factor 5 ("affective factor") was negatively associated with the outcome variable. Conclusions: It is thus crucial to recognize the type and severity of psychopathology in help-seeking individuals in order to intensive clinical monitoring of subclinical psychopathology risk profiles, and design specific care pathways.

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