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1.
Spectrochim Acta A Mol Biomol Spectrosc ; 324: 124969, 2025 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-39153347

RESUMO

The fraudulent adulteration of goat milk with cheaper and more available milk of other species such as cow milk is occurrence. The aims of the present study were to investigate the effect of goat milk adulteration with cow milk on the mid-infrared (MIR) spectrum and further evaluate the potential of MIR spectroscopy to identify and quantify the goat milk adulterated. Goat milk was adulterated with cow milk at 5 different levels including 10%, 20%, 30%, 40%, and 50%. Statistical analysis showed that the adulteration had significant effect on the majority of the spectral wavenumbers. Then, the spectrum was preprocessed with standard normal variate (SNV), multiplicative scattering correction (MSC), Savitzky-Golay smoothing (SG), SG plus SNV, and SG plus MSC, and partial least squares discriminant analysis (PLS-DA) and partial least squares regression (PLSR) were used to establish classification and regression models, respectively. PLS-DA models obtained good results with all the sensitivity and specificity over 0.96 in the cross-validation set. Regression models using raw spectrum obtained the best result, with coefficient of determination (R2), root mean square error (RMSE), and the ratio of performance to deviation (RPD) of cross-validation set were 0.98, 2.01, and 8.49, respectively. The results preliminarily indicate that the MIR spectroscopy is an effective technique to detect the goat milk adulteration with cow milk. In future, milk samples from different origins and different breeds of goats and cows should be collected, and more sophisticated adulteration at low levels should be further studied to explore the potential and effectiveness of milk mid-infrared spectroscopy and chemometrics.


Assuntos
Contaminação de Alimentos , Cabras , Leite , Espectrofotometria Infravermelho , Animais , Leite/química , Análise dos Mínimos Quadrados , Contaminação de Alimentos/análise , Espectrofotometria Infravermelho/métodos , Análise Discriminante , Bovinos , Quimiometria/métodos
2.
Spectrochim Acta A Mol Biomol Spectrosc ; 324: 124966, 2025 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-39153346

RESUMO

This study investigates the application of visible-short wavelength near-infrared hyperspectral imaging (Vis-SWNIR HSI) in the wavelength range of 400-950 nm and advanced chemometric techniques for diagnosing breast cancer (BC). The research involved 56 ex-vivo samples encompassing both cancerous and non-cancerous breast tissue from females. First, HSI images were analyzed using multivariate curve resolution-alternating least squares (MCR-ALS) to exploit pure spatial and spectral profiles of active components. Then, the MCR-ALS resolved spatial profiles were arranged in a new data matrix for exploration and discrimination between benign and cancerous tissue samples using principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA). The PLS-DA classification accuracy of 82.1 % showed the potential of HSI and chemometrics for non-invasive detection of BC. Additionally, the resolved spectral profiles by MCR-ALS can be used to track the changes in the breast tissue during cancer and treatment. It is concluded that the proposed strategy in this work can effectively differentiate between cancerous and non-cancerous breast tissue and pave the way for further studies and potential clinical implementation of this innovative approach, offering a promising avenue for improving early detection and treatment outcomes in BC patients.


Assuntos
Neoplasias da Mama , Imageamento Hiperespectral , Análise de Componente Principal , Espectroscopia de Luz Próxima ao Infravermelho , Humanos , Feminino , Neoplasias da Mama/diagnóstico , Análise dos Mínimos Quadrados , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Imageamento Hiperespectral/métodos , Análise Multivariada , Análise Discriminante
3.
Spectrochim Acta A Mol Biomol Spectrosc ; 324: 125001, 2025 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-39180971

RESUMO

Utilizing visible and near-infrared (Vis-NIR) spectroscopy in conjunction with chemometrics methods has been widespread for identifying plant diseases. However, a key obstacle involves the extraction of relevant spectral characteristics. This study aimed to enhance sugarcane disease recognition by combining convolutional neural network (CNN) with continuous wavelet transform (CWT) spectrograms for spectral features extraction within the Vis-NIR spectra (380-1400 nm) to improve the accuracy of sugarcane diseases recognition. Using 130 sugarcane leaf samples, the obtained one-dimensional CWT coefficients from Vis-NIR spectra were transformed into two-dimensional spectrograms. Employing CNN, spectrogram features were extracted and incorporated into decision tree, K-nearest neighbour, partial least squares discriminant analysis, and random forest (RF) calibration models. The RF model, integrating spectrogram-derived features, demonstrated the best performance with an average precision of 0.9111, sensitivity of 0.9733, specificity of 0.9791, and accuracy of 0.9487. This study may offer a non-destructive, rapid, and accurate means to detect sugarcane diseases, enabling farmers to receive timely and actionable insights on the crops' health, thus minimizing crop loss and optimizing yields.


Assuntos
Aprendizado Profundo , Doenças das Plantas , Saccharum , Espectroscopia de Luz Próxima ao Infravermelho , Análise de Ondaletas , Saccharum/química , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Folhas de Planta/química , Análise dos Mínimos Quadrados , Análise Discriminante
4.
J Environ Sci (China) ; 147: 512-522, 2025 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-39003067

RESUMO

To better understand the migration behavior of plastic fragments in the environment, development of rapid non-destructive methods for in-situ identification and characterization of plastic fragments is necessary. However, most of the studies had focused only on colored plastic fragments, ignoring colorless plastic fragments and the effects of different environmental media (backgrounds), thus underestimating their abundance. To address this issue, the present study used near-infrared spectroscopy to compare the identification of colored and colorless plastic fragments based on partial least squares-discriminant analysis (PLS-DA), extreme gradient boost, support vector machine and random forest classifier. The effects of polymer color, type, thickness, and background on the plastic fragments classification were evaluated. PLS-DA presented the best and most stable outcome, with higher robustness and lower misclassification rate. All models frequently misinterpreted colorless plastic fragments and its background when the fragment thickness was less than 0.1mm. A two-stage modeling method, which first distinguishes the plastic types and then identifies colorless plastic fragments that had been misclassified as background, was proposed. The method presented an accuracy higher than 99% in different backgrounds. In summary, this study developed a novel method for rapid and synchronous identification of colored and colorless plastic fragments under complex environmental backgrounds.


Assuntos
Monitoramento Ambiental , Aprendizado de Máquina , Plásticos , Espectroscopia de Luz Próxima ao Infravermelho , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Monitoramento Ambiental/métodos , Plásticos/análise , Análise dos Mínimos Quadrados , Análise Discriminante , Cor
5.
Food Chem ; 462: 141012, 2025 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-39217747

RESUMO

To investigate the variation and fractionation of stable isotopes from irrigation water to soil, grapes, and wine, δ2H, δ18O, and δ17O in different samples from 10 regions in China were determined using a water isotope analyser. The values were significantly different among regions according to the chemometric analysis. All isotopes were significantly and positively correlated with irrigation water-soil and grape-wine. A significant water isotopic fractionation effect was observed from the irrigation water to the soil, grapes, and wine. Stable isotope distribution characteristics correlated with longitude, latitude, altitude, temperature, precipitation, station pressure and wind speed. The linear discriminant analysis (LDA), random forest (RF), support vector machine (SVM), and feed-forward neural network (FNN) models 58.33-100 %, 80-100 %, 53.33-100 %, and 73.33-100 % accurate for distinguishing the geographical origins of all samples from training and test data, respectively. These findings provide a theoretical basis for authenticating the geographic origin of Chinese wines using stable isotope analysis.


Assuntos
Irrigação Agrícola , Isótopos de Oxigênio , Solo , Vitis , Vinho , Vinho/análise , Vitis/química , Vitis/classificação , Vitis/crescimento & desenvolvimento , Solo/química , Isótopos de Oxigênio/análise , China , Água/análise , Água/química , Deutério/análise , Análise Discriminante , Geografia , Fracionamento Químico
6.
ScientificWorldJournal ; 2024: 6825489, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39220472

RESUMO

Background: This study aims to evaluate the accuracy rate of foramen magnum dimensions in determining sex among the South Indian population using discriminant functional analysis. Methods: An observational study in which CBCT images from 200 full field of view (FOV) scans were analysed. The dimensions of the foramen magnum were measured. Intra- and interobserver reliability were calculated. Independent t-tests were used to compare the various parameters between sexes. Stepwise discriminant function analysis was used to determine sex. Results: A total of 200 CBCT scans were included in the study. The mean age (±SD) was 25.66 (±7.11) years among males and 24.64 (±5.12) years among females. The measurements and the circumference of the foramen magnum were significantly (p < 0.001) greater in males than in females. The univariate analysis of foramen magnum measurements reached an accuracy rate of 73.5% in sex determination. The discriminant function analysis combining the foramen magnum measurements and circumference yielded an overall predictability rate of 66.5% for determining sex. Conclusion: Taking into account the predictability rate of sex based on foramen measurement in the present population, it can be concluded that its applicability should be limited to cases associated with fragmentary skull bases.


Assuntos
Tomografia Computadorizada de Feixe Cônico , Forame Magno , Determinação do Sexo pelo Esqueleto , Humanos , Forame Magno/diagnóstico por imagem , Forame Magno/anatomia & histologia , Masculino , Feminino , Adulto , Estudos Retrospectivos , Tomografia Computadorizada de Feixe Cônico/métodos , Determinação do Sexo pelo Esqueleto/métodos , Índia , Adulto Jovem , Análise Discriminante , Reprodutibilidade dos Testes
7.
Sensors (Basel) ; 24(18)2024 Sep 22.
Artigo em Inglês | MEDLINE | ID: mdl-39338869

RESUMO

Brain-computer interfaces (BCIs) are promising tools for motor neurorehabilitation. Achieving a balance between classification accuracy and system responsiveness is crucial for real-time applications. This study aimed to assess how the duration of time windows affects performance, specifically classification accuracy and the false positive rate, to optimize the temporal parameters of MI-BCI systems. We investigated the impact of time window duration on classification accuracy and false positive rate, employing Linear Discriminant Analysis (LDA), Multilayer Perceptron (MLP), and Support Vector Machine (SVM) on data acquired from six post-stroke patients and on the external BCI IVa dataset. EEG signals were recorded and processed using the Common Spatial Patterns (CSP) algorithm for feature extraction. Our results indicate that longer time windows generally enhance classification accuracy and reduce false positives across all classifiers, with LDA performing the best. However, to maintain the real-time responsiveness, crucial for practical applications, a balance must be struck. The results suggest an optimal time window of 1-2 s, offering a trade-off between classification performance and excessive delay to guarantee the system responsiveness. These findings underscore the importance of temporal optimization in MI-BCI systems to improve usability in real rehabilitation scenarios.


Assuntos
Interfaces Cérebro-Computador , Eletroencefalografia , Acidente Vascular Cerebral , Máquina de Vetores de Suporte , Humanos , Eletroencefalografia/métodos , Acidente Vascular Cerebral/fisiopatologia , Masculino , Feminino , Algoritmos , Pessoa de Meia-Idade , Reabilitação do Acidente Vascular Cerebral/métodos , Idoso , Análise Discriminante , Fatores de Tempo
8.
Molecules ; 29(18)2024 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-39339353

RESUMO

This study investigates volatile organic compound (VOC) profiles in the exhaled breath of normal subjects under different oxygenation conditions-normoxia (FiO2 21%), hypoxia (FiO2 11%), and hyperoxia (FiO2 35%)-using an electronic nose (e-nose). We aim to identify significant differences in VOC profiles among the three conditions utilizing principal component analysis (PCA) and canonical discriminant analysis (CDA). Our results indicate distinct VOC patterns corresponding to each oxygenation state, demonstrating the potential of e-nose technology in detecting physiological changes in breath composition (cross-validated accuracy values: FiO2 21% vs. FiO2 11% = 63%, FiO2 11% vs. FiO2 35% = 65%, FiO2 21% vs. FiO2 35% = 71%, and p < 0.05 for all). This research underscores the viability of breathomics in the non-invasive monitoring and diagnostics of various respiratory and systemic conditions.


Assuntos
Testes Respiratórios , Nariz Eletrônico , Expiração , Hiperóxia , Hipóxia , Análise de Componente Principal , Compostos Orgânicos Voláteis , Humanos , Compostos Orgânicos Voláteis/análise , Testes Respiratórios/métodos , Hipóxia/metabolismo , Hiperóxia/metabolismo , Masculino , Adulto , Feminino , Análise Discriminante
9.
Med Eng Phys ; 131: 104232, 2024 09.
Artigo em Inglês | MEDLINE | ID: mdl-39284657

RESUMO

Different types of noise contaminating the surface electromyogram (EMG) signal may degrade the recognition performance. For noise removal, the type of noise has to first be identified. In this paper, we propose a real-time efficient system for identifying a clean EMG signal and noisy EMG signals contaminated with any one of the following three types of noise: electrocardiogram interference, spike noise, and power line interference. Two statistical descriptors, kurtosis and skewness, are used as input features for the cascading quadratic discriminant analysis classifier. An efficient simplification of kurtosis and skewness calculations that can reduce computation time and memory storage is proposed. The experimental results from the real-time system based on an ATmega 2560 microcontroller demonstrate that the kurtosis and skewness values show root mean square errors between the traditional and proposed efficient techniques of 0.08 and 0.09, respectively. The identification accuracy with five-fold cross-validation resulting from the quadratic discriminant analysis classifier is 96.00%.


Assuntos
Eletromiografia , Processamento de Sinais Assistido por Computador , Eletromiografia/métodos , Fatores de Tempo , Humanos , Análise Discriminante , Artefatos , Razão Sinal-Ruído
10.
Food Res Int ; 194: 114873, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39232512

RESUMO

This study investigates the metabolome of high-quality hazelnuts (Corylus avellana L.) by applying untargeted and targeted metabolome profiling techniques to predict industrial quality. Utilizing comprehensive two-dimensional gas chromatography and liquid chromatography coupled with high-resolution mass spectrometry, the research characterizes the non-volatile (primary and specialized metabolites) and volatile metabolomes. Data fusion techniques, including low-level (LLDF) and mid-level (MLDF), are applied to enhance classification performance. Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) reveal that geographical origin and postharvest practices significantly impact the specialized metabolome, while storage conditions and duration influence the volatilome. The study demonstrates that MLDF approaches, particularly supervised MLDF, outperform single-fraction analyses in predictive accuracy. Key findings include the identification of metabolites patterns causally correlated to hazelnut's quality attributes, of them aldehydes, alcohols, terpenes, and phenolic compounds as most informative. The integration of multiple analytical platforms and data fusion methods shows promise in refining quality assessments and optimizing storage and processing conditions for the food industry.


Assuntos
Corylus , Metaboloma , Metabolômica , Análise de Componente Principal , Corylus/química , Metabolômica/métodos , Inteligência Artificial , Análise dos Mínimos Quadrados , Análise Discriminante , Qualidade dos Alimentos , Nozes/química , Análise de Alimentos/métodos , Compostos Orgânicos Voláteis/análise
11.
Sheng Wu Yi Xue Gong Cheng Xue Za Zhi ; 41(4): 664-672, 2024 Aug 25.
Artigo em Chinês | MEDLINE | ID: mdl-39218591

RESUMO

Brain-computer interface (BCI) based on steady-state visual evoked potential (SSVEP) have attracted much attention in the field of intelligent robotics. Traditional SSVEP-based BCI systems mostly use synchronized triggers without identifying whether the user is in the control or non-control state, resulting in a system that lacks autonomous control capability. Therefore, this paper proposed a SSVEP asynchronous state recognition method, which constructs an asynchronous state recognition model by fusing multiple time-frequency domain features of electroencephalographic (EEG) signals and combining with a linear discriminant analysis (LDA) to improve the accuracy of SSVEP asynchronous state recognition. Furthermore, addressing the control needs of disabled individuals in multitasking scenarios, a brain-machine fusion system based on SSVEP-BCI asynchronous cooperative control was developed. This system enabled the collaborative control of wearable manipulator and robotic arm, where the robotic arm acts as a "third hand", offering significant advantages in complex environments. The experimental results showed that using the SSVEP asynchronous control algorithm and brain-computer fusion system proposed in this paper could assist users to complete multitasking cooperative operations. The average accuracy of user intent recognition in online control experiments was 93.0%, which provides a theoretical and practical basis for the practical application of the asynchronous SSVEP-BCI system.


Assuntos
Algoritmos , Interfaces Cérebro-Computador , Eletroencefalografia , Potenciais Evocados Visuais , Robótica , Potenciais Evocados Visuais/fisiologia , Humanos , Robótica/instrumentação , Análise Discriminante
12.
Sci Rep ; 14(1): 20931, 2024 09 09.
Artigo em Inglês | MEDLINE | ID: mdl-39251628

RESUMO

Groundnut oil is known as a good source of essential fatty acids which are significant in the physiological development of the human body. It has a distinctive fragrant making it ideal for cooking which contribute to its demand on the market. However, some groundnut oil producers have been suspected to produce groundnut oil by blending it with cheaper oils especially palm olein at different concentrations or by adding groundnut flavor to palm olein. Over the years, there have been several methods to detect adulteration in oils which are time-consuming and expensive. Near infrared (NIR) and ultraviolet-visible (UV-Vis) spectroscopies are cheap and rapid methods for oil adulteration. This present study aimed to apply NIR and UV-Vis in combination with chemometrics to develop models for prediction and quantification of groundnut oil adulteration. Using principal component analysis (PCA) scores, pure and prepared adulterated samples showed overlapping showing similarities between them. Linear discriminant analysis (LDA) models developed from NIR and UV-Vis gave an average cross-validation accuracy of 92.61% and 62.14% respectively for pure groundnut oil and adulterated samples with palm olein at 0, 1, 3, 5, 10, 20, 30, 40 and 50% v/v. With partial least squares regression free fatty acid, color parameters, peroxide and iodine values could be predicted with R2CV's up to 0.8799 and RMSECV's lower than 3 ml/100 ml for NIR spectra and R2CV's up to 0.81 and RMSECV's lower than 4 ml/100 ml for UV-Vis spectra. NIR spectra produced better models as compared to UV-Vis spectra.


Assuntos
Contaminação de Alimentos , Aprendizado de Máquina , Espectrofotometria Ultravioleta , Espectroscopia de Luz Próxima ao Infravermelho , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Contaminação de Alimentos/análise , Espectrofotometria Ultravioleta/métodos , Análise de Componente Principal , Análise Discriminante , Óleo de Amendoim/análise , Óleo de Palmeira/química
13.
BMC Vet Res ; 20(1): 392, 2024 Sep 06.
Artigo em Inglês | MEDLINE | ID: mdl-39237971

RESUMO

BACKGROUND: The application of novel technologies is now widely used to assist in making optimal decisions. This study aimed to evaluate the performance of linear discriminant analysis (LDA) and flexible discriminant analysis (FDA) in classifying and predicting Friesian cattle's milk production into low ([Formula: see text]4500 kg), medium (4500-7500 kg), and high ([Formula: see text]7500 kg) categories. A total of 3793 lactation records from cows calved between 2009 and 2020 were collected to examine some predictors such as age at first calving (AFC), lactation order (LO), days open (DO), days in milk (DIM), dry period (DP), calving season (CFS), 305-day milk yield (305-MY), calving interval (CI), and total breeding per conception (TBRD). RESULTS: The comparison between LDA and FDA models was based on the significance of coefficients, total accuracy, sensitivity, precision, and F1-score. The LDA results revealed that DIM and 305-MY were the significant (P < 0.001) contributors for data classification, while the FDA was a lactation order. Classification accuracy results showed that the FDA model performed better than the LDA model in expressing accuracies of correctly classified cases as well as overall classification accuracy of milk yield. The FDA model outperformed LDA in both accuracy and F1-score. It achieved an accuracy of 82% compared to LDA's 71%. Similarly, the F1-score improved from a range of 0.667 to 0.79 for LDA to a higher range of 0.81 to 0.83 for FDA. CONCLUSION: The findings of this study demonstrated that FDA was more resistant than LDA in case of assumption violations. Furthermore, the current study showed the feasibility and efficacy of LDA and FDA in interpreting and predicting livestock datasets.


Assuntos
Lactação , Leite , Animais , Bovinos/fisiologia , Lactação/fisiologia , Análise Discriminante , Feminino , Leite/química , Indústria de Laticínios/métodos
14.
Molecules ; 29(17)2024 Aug 26.
Artigo em Inglês | MEDLINE | ID: mdl-39274885

RESUMO

The chemical compounds found in propolis vary according to plant sources, species, and geographical regions. To date, Indonesian propolis has not yet become standardized in terms of its chemical constituents. Thus, this study aimed to identify the presence of marker compounds and determine whether different classes of Indonesian propolis exist. In this study, yields, total polyphenol content (TPC), total flavonoid content (TFC), and antioxidants were measured. Identification of chemical compounds was carried out with Fourier-transform infrared (FTIR) spectroscopy and liquid chromatography-tandem mass spectrometry (LC-MS/MS). Metaboanalyst 6.0 was employed in conducting principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) using the results of the FTIR and LC-MS/MS. The propolis with the highest TFC, TPC, and antioxidant activity was Geniotrigona thoracica from North Sumatra. The results of propolis compound mapping based on region with discriminant analysis revealed that types of propolis from Java have similar characteristics. Then, based on species, the types of propolis from Tetragonula laeviceps and Heterotrigona itama have special characteristics; the samples from these species can be grouped according to similar characteristics. In conclusion, 10 potential marker compounds were identified in Indonesian propolis, enabling regional and species-specific varieties of Indonesian propolis to be classified based on chemical composition mapping.


Assuntos
Antioxidantes , Metabolômica , Própole , Própole/química , Abelhas , Indonésia , Metabolômica/métodos , Antioxidantes/química , Animais , Polifenóis/química , Polifenóis/análise , Espectrometria de Massas em Tandem , Análise de Componente Principal , Flavonoides/química , Flavonoides/análise , Cromatografia Líquida , Espectroscopia de Infravermelho com Transformada de Fourier , Análise Discriminante , Análise dos Mínimos Quadrados
15.
Molecules ; 29(17)2024 Aug 29.
Artigo em Inglês | MEDLINE | ID: mdl-39274940

RESUMO

To comply with a more circular and environmentally friendly European common agricultural policy, while also valorising sunflower by-products, an ultrasound assisted extraction (UAE) was tested to optimise ethanol-wash solutes (EWS). Furthermore, the capabilities of DART-HRMS as a rapid and cost-effective tool for determining the biochemical changes after valorisation of these defatted sunflower EWS were investigated. Three batches of EWS were doubly processed into optimised EWS (OEWS) samples, which were analysed via DART-HRMS. Then, the metabolic profiles were submitted to a univariate analysis followed by a partial least square discriminant analysis (PLS-DA) allowing the identification of the 15 most informative ions. The assessment of the metabolomic fingerprinting characterising EWS and OEWS resulted in an accurate and well-defined spatial clusterization based on the retrieved pool of informative ions. The outcomes highlighted a significantly higher relative abundance of phenolipid hydroxycinnamoyl-glyceric acid and a lower incidence of free fatty acids and diglycerides due to the ultrasound treatment. These resulting biochemical changes might turn OEWS into a natural antioxidant supplement useful for controlling lipid oxidation and to prolong the shelf-life of foods and feeds. A standardised processing leading to a selective concentration of the desirable bioactive compounds is also advisable.


Assuntos
Helianthus , Metabolômica , Helianthus/química , Helianthus/metabolismo , Metabolômica/métodos , Espectrometria de Massas/métodos , Metaboloma , Análise Discriminante , Reciclagem
16.
Sensors (Basel) ; 24(17)2024 Aug 31.
Artigo em Inglês | MEDLINE | ID: mdl-39275588

RESUMO

This study investigates the application of an eNose (electrochemical sensory array) device as a rapid and cost-effective screening tool to detect increasingly prevalent counterfeit electronic cigarettes, and those to which potentially hazardous excipients such as vitamin E acetate (VEA) have been added, without the need to generate and test the aerosol such products are intended to emit. A portable, in-field screening tool would also allow government officials to swiftly identify adulterated electronic cigarette e-liquids containing illicit flavorings such as menthol. Our approach involved developing canonical discriminant analysis (CDA) models to differentiate formulation components, including e-liquid bases and nicotine, which the eNose accurately identified. Additionally, models were created using e-liquid bases adulterated with menthol and VEA. The eNose and CDA model correctly identified menthol-containing e-liquids in all instances but were only able to identify VEA in 66.6% of cases. To demonstrate the applicability of this model to a commercial product, a Virginia Tobacco JUUL product was adulterated with menthol and VEA. A CDA model was constructed and, when tested against the prediction set, it was able to identify samples adulterated with menthol 91.6% of the time and those containing VEA in 75% of attempts. To test the ability of this approach to distinguish commercial e-liquid brands, a model using six commercial products was generated and tested against randomized samples on the same day as model creation. The CDA model had a cross-validation of 91.7%. When randomized samples were presented to the model on different days, cross-validation fell to 41.7%, suggesting that interday variability was problematic. However, a subsequently developed support vector machine (SVM) identification algorithm was deployed, increasing the cross-validation to 84.7%. A prediction set was challenged against this model, yielding an accuracy of 94.4%. Altered Elf Bar and Hyde IQ formulations were used to simulate counterfeit products, and in all cases, the brand identification model did not classify these samples as their reference product. This study demonstrates the eNose's capability to distinguish between various odors emitted from e-liquids, highlighting its potential to identify counterfeit and adulterated products in the field without the need to generate and test the aerosol emitted from an electronic cigarette.


Assuntos
Sistemas Eletrônicos de Liberação de Nicotina , Técnicas Eletroquímicas/métodos , Nicotina/análise , Análise Discriminante , Aromatizantes/análise , Aromatizantes/química , Mentol/análise , Mentol/química , Humanos
17.
Sensors (Basel) ; 24(17)2024 Sep 08.
Artigo em Inglês | MEDLINE | ID: mdl-39275739

RESUMO

Gait phase recognition systems based on surface electromyographic signals (EMGs) are crucial for developing advanced myoelectric control schemes that enhance the interaction between humans and lower limb assistive devices. However, machine learning models used in this context, such as Linear Discriminant Analysis (LDA) and Support Vector Machine (SVM), typically experience performance degradation when modeling the gait cycle with more than just stance and swing phases. This study introduces a generalized phasor-based feature extraction approach (PHASOR) that captures spatial myoelectric features to improve the performance of LDA and SVM in gait phase recognition. A publicly available dataset of 40 subjects was used to evaluate PHASOR against state-of-the-art feature sets in a five-phase gait recognition problem. Additionally, fully data-driven deep learning architectures, such as Rocket and Mini-Rocket, were included for comparison. The separability index (SI) and mean semi-principal axis (MSA) analyses showed mean SI and MSA metrics of 7.7 and 0.5, respectively, indicating the proposed approach's ability to effectively decode gait phases through EMG activity. The SVM classifier demonstrated the highest accuracy of 82% using a five-fold leave-one-trial-out testing approach, outperforming Rocket and Mini-Rocket. This study confirms that in gait phase recognition based on EMG signals, novel and efficient muscle synergy information feature extraction schemes, such as PHASOR, can compete with deep learning approaches that require greater processing time for feature extraction and classification.


Assuntos
Eletromiografia , Marcha , Máquina de Vetores de Suporte , Humanos , Eletromiografia/métodos , Marcha/fisiologia , Análise Discriminante , Processamento de Sinais Assistido por Computador , Masculino , Feminino , Algoritmos , Adulto , Aprendizado Profundo
18.
Int J Mol Sci ; 25(17)2024 Aug 30.
Artigo em Inglês | MEDLINE | ID: mdl-39273410

RESUMO

Amelogenesis imperfecta (AI) is a genetic disease characterized by poor formation of tooth enamel. AI occurs due to mutations, especially in AMEL, ENAM, KLK4, MMP20, and FAM83H, associated with changes in matrix proteins, matrix proteases, cell-matrix adhesion proteins, and transport proteins of enamel. Due to the wide variety of phenotypes, the diagnosis of AI is complex, requiring a genetic test to characterize it better. Thus, there is a demand for developing low-cost, noninvasive, and accurate platforms for AI diagnostics. This case-control pilot study aimed to test salivary vibrational modes obtained in attenuated total reflection fourier-transformed infrared (ATR-FTIR) together with machine learning algorithms: linear discriminant analysis (LDA), random forest, and support vector machine (SVM) could be used to discriminate AI from control subjects due to changes in salivary components. The best-performing SVM algorithm discriminates AI better than matched-control subjects with a sensitivity of 100%, specificity of 79%, and accuracy of 88%. The five main vibrational modes with higher feature importance in the Shapley Additive Explanations (SHAP) were 1010 cm-1, 1013 cm-1, 1002 cm-1, 1004 cm-1, and 1011 cm-1 in these best-performing SVM algorithms, suggesting these vibrational modes as a pre-validated salivary infrared spectral area as a potential biomarker for AI screening. In summary, ATR-FTIR spectroscopy and machine learning algorithms can be used on saliva samples to discriminate AI and are further explored as a screening tool.


Assuntos
Amelogênese Imperfeita , Aprendizado de Máquina , Saliva , Humanos , Amelogênese Imperfeita/diagnóstico , Amelogênese Imperfeita/genética , Amelogênese Imperfeita/metabolismo , Saliva/metabolismo , Saliva/química , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Feminino , Estudos de Casos e Controles , Masculino , Algoritmos , Adulto , Máquina de Vetores de Suporte , Projetos Piloto , Análise Discriminante , Biomarcadores , Triagem/métodos , Adolescente , Adulto Jovem
19.
PLoS One ; 19(9): e0305610, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39292688

RESUMO

The aim of the present research was to evaluate the efficiency of different vegetation indices (VI) obtained from satellites with varying spatial resolutions in discriminating the phenological stages of soybean crops. The experiment was carried out in a soybean cultivation area irrigated by central pivot, in Balsas, MA, Brazil, where weekly assessments of phenology and leaf area index were carried out. Throughout the crop cycle, spectral data from the study area were collected from sensors, onboard the Sentinel-2 and Amazônia-1 satellites. The images obtained were processed to obtain the VI based on NIR (NDVI, NDWI and SAVI) and RGB (VARI, IV GREEN and GLI), for the different phenological stages of the crop. The efficiency in identifying phenological stages by VI was determined through discriminant analysis and the Algorithm Neural Network-ANN, where the best classifications presented an Apparent Error Rate (APER) equal to zero. The APER for the discriminant analysis varied between 53.4% and 70.4% while, for the ANN, it was between 47.4% and 73.9%, making it not possible to identify which of the two analysis techniques is more appropriate. The study results demonstrated that the difference in sensors spatial resolution is not a determining factor in the correct identification of soybean phenological stages. Although no VI, obtained from the Amazônia-1 and Sentinel-2 sensor systems, was 100% effective in identifying all phenological stages, specific indices can be used to identify some key phenological stages of soybean crops, such as: flowering (R1 and R2); pod development (R4); grain development (R5.1); and plant physiological maturity (R8). Therefore, VI obtained from orbital sensors are effective in identifying soybean phenological stages quickly and cheaply.


Assuntos
Glycine max , Glycine max/crescimento & desenvolvimento , Redes Neurais de Computação , Brasil , Produtos Agrícolas/crescimento & desenvolvimento , Folhas de Planta/crescimento & desenvolvimento , Algoritmos , Análise Discriminante
20.
Int J Mol Sci ; 25(18)2024 Sep 11.
Artigo em Inglês | MEDLINE | ID: mdl-39337322

RESUMO

Renal cell carcinoma (RCC) is the sixth most common cancer in men and is often asymptomatic, leading to incidental detection in advanced disease stages that are associated with aggressive histology and poorer outcomes. Various cancer biomarkers are found in urine samples from patients with RCC. In this study, we propose to investigate the use of Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy (ATR-FTIR) on dried urine samples for distinguishing RCC. We analyzed dried urine samples from 49 patients with RCC, confirmed by histopathology, and 39 healthy donors using ATR-FTIR spectroscopy. The vibrational bands of the dried urine were identified by comparing them with spectra from dried artificial urine, individual urine components, and dried artificial urine spiked with urine components. Urea dominated all spectra, but smaller intensity peaks, corresponding to creatinine, phosphate, and uric acid, were also identified. Statistically significant differences between the FTIR spectra of the two groups were obtained only for creatinine, with lower intensities for RCC cases. The discrimination of RCC was performed through Principal Component Analysis combined with Linear Discriminant Analysis (PCA-LDA) and Support Vector Machine (SVM). Using PCA-LDA, we achieved a higher discrimination accuracy (82%) (using only six Principal Components to avoid overfitting), as compared to SVM (76%). Our results demonstrate the potential of urine ATR-FTIR combined with machine learning techniques for RCC discrimination. However, further studies, especially of other urological diseases, must validate this approach.


Assuntos
Carcinoma de Células Renais , Neoplasias Renais , Aprendizado de Máquina , Humanos , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Masculino , Carcinoma de Células Renais/urina , Carcinoma de Células Renais/diagnóstico , Feminino , Neoplasias Renais/urina , Neoplasias Renais/diagnóstico , Pessoa de Meia-Idade , Idoso , Análise de Componente Principal , Adulto , Análise Discriminante , Biomarcadores Tumorais/urina , Máquina de Vetores de Suporte , Creatinina/urina , Urinálise/métodos
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