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1.
BMC Med Inform Decis Mak ; 24(1): 196, 2024 Jul 18.
Artigo em Inglês | MEDLINE | ID: mdl-39026270

RESUMO

BACKGROUND: Generalized Joint Hyper-mobility (GJH) can aid in the diagnosis of Ehlers-Danlos Syndrome (EDS), a complex genetic connective tissue disorder with clinical features that can mimic other disease processes. Our study focuses on developing a unique image-based goniometry system, the HybridPoseNet, which utilizes a hybrid deep learning model. OBJECTIVE: The proposed model is designed to provide the most accurate joint angle measurements in EDS appraisals. Using a hybrid of CNNs and HyperLSTMs in the pose estimation module of HybridPoseNet offers superior generalization and time consistency properties, setting it apart from existing complex libraries. METHODOLOGY: HybridPoseNet integrates the spatial pattern recognition prowess of MobileNet-V2 with the sequential data processing capability of HyperLSTM units. The system captures the dynamic nature of joint motion by creating a model that learns from individual frames and the sequence of movements. The CNN module of HybridPoseNet was trained on a large and diverse data set before the fine-tuning of video data involving 50 individuals visiting the EDS clinic, focusing on joints that can hyperextend. HyperLSTMs have been incorporated in video frames to avoid any time breakage in joint angle estimation in consecutive frames. The model performance was evaluated using Spearman's coefficient correlation versus manual goniometry measurements, as well as by the human labeling of joint position, the second validation step. OUTCOME: Preliminary findings demonstrate HybridPoseNet achieving a remarkable correlation with manual Goniometric measurements: thumb (rho = 0.847), elbows (rho = 0.822), knees (rho = 0.839), and fifth fingers (rho = 0.896), indicating that the newest model is considerably better. The model manifested a consistent performance in all joint assessments, hence not requiring selecting a variety of pose-measuring libraries for every joint. The presentation of HybridPoseNet contributes to achieving a combined and normalized approach to reviewing the mobility of joints, which has an overall enhancement of approximately 20% in accuracy compared to the regular pose estimation libraries. This innovation is very valuable to the field of medical diagnostics of connective tissue diseases and a vast improvement to its understanding.


Assuntos
Aprendizado Profundo , Síndrome de Ehlers-Danlos , Síndrome de Ehlers-Danlos/diagnóstico , Síndrome de Ehlers-Danlos/fisiopatologia , Humanos , Artrometria Articular/métodos
2.
BMC Med Imaging ; 24(1): 176, 2024 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-39030496

RESUMO

Medical imaging stands as a critical component in diagnosing various diseases, where traditional methods often rely on manual interpretation and conventional machine learning techniques. These approaches, while effective, come with inherent limitations such as subjectivity in interpretation and constraints in handling complex image features. This research paper proposes an integrated deep learning approach utilizing pre-trained models-VGG16, ResNet50, and InceptionV3-combined within a unified framework to improve diagnostic accuracy in medical imaging. The method focuses on lung cancer detection using images resized and converted to a uniform format to optimize performance and ensure consistency across datasets. Our proposed model leverages the strengths of each pre-trained network, achieving a high degree of feature extraction and robustness by freezing the early convolutional layers and fine-tuning the deeper layers. Additionally, techniques like SMOTE and Gaussian Blur are applied to address class imbalance, enhancing model training on underrepresented classes. The model's performance was validated on the IQ-OTH/NCCD lung cancer dataset, which was collected from the Iraq-Oncology Teaching Hospital/National Center for Cancer Diseases over a period of three months in fall 2019. The proposed model achieved an accuracy of 98.18%, with precision and recall rates notably high across all classes. This improvement highlights the potential of integrated deep learning systems in medical diagnostics, providing a more accurate, reliable, and efficient means of disease detection.


Assuntos
Aprendizado Profundo , Neoplasias Pulmonares , Humanos , Neoplasias Pulmonares/diagnóstico por imagem , Tomografia Computadorizada por Raios X/métodos , Redes Neurais de Computação
3.
Front Comput Neurosci ; 18: 1418546, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38933391

RESUMO

Background: The necessity of prompt and accurate brain tumor diagnosis is unquestionable for optimizing treatment strategies and patient prognoses. Traditional reliance on Magnetic Resonance Imaging (MRI) analysis, contingent upon expert interpretation, grapples with challenges such as time-intensive processes and susceptibility to human error. Objective: This research presents a novel Convolutional Neural Network (CNN) architecture designed to enhance the accuracy and efficiency of brain tumor detection in MRI scans. Methods: The dataset used in the study comprises 7,023 brain MRI images from figshare, SARTAJ, and Br35H, categorized into glioma, meningioma, no tumor, and pituitary classes, with a CNN-based multi-task classification model employed for tumor detection, classification, and location identification. Our methodology focused on multi-task classification using a single CNN model for various brain MRI classification tasks, including tumor detection, classification based on grade and type, and tumor location identification. Results: The proposed CNN model incorporates advanced feature extraction capabilities and deep learning optimization techniques, culminating in a groundbreaking paradigm shift in automated brain MRI analysis. With an exceptional tumor classification accuracy of 99%, our method surpasses current methodologies, demonstrating the remarkable potential of deep learning in medical applications. Conclusion: This study represents a significant advancement in the early detection and treatment planning of brain tumors, offering a more efficient and accurate alternative to traditional MRI analysis methods.

4.
BMC Med Imaging ; 24(1): 118, 2024 May 21.
Artigo em Inglês | MEDLINE | ID: mdl-38773391

RESUMO

Brain tumor diagnosis using MRI scans poses significant challenges due to the complex nature of tumor appearances and variations. Traditional methods often require extensive manual intervention and are prone to human error, leading to misdiagnosis and delayed treatment. Current approaches primarily include manual examination by radiologists and conventional machine learning techniques. These methods rely heavily on feature extraction and classification algorithms, which may not capture the intricate patterns present in brain MRI images. Conventional techniques often suffer from limited accuracy and generalizability, mainly due to the high variability in tumor appearance and the subjective nature of manual interpretation. Additionally, traditional machine learning models may struggle with the high-dimensional data inherent in MRI images. To address these limitations, our research introduces a deep learning-based model utilizing convolutional neural networks (CNNs).Our model employs a sequential CNN architecture with multiple convolutional, max-pooling, and dropout layers, followed by dense layers for classification. The proposed model demonstrates a significant improvement in diagnostic accuracy, achieving an overall accuracy of 98% on the test dataset. The proposed model demonstrates a significant improvement in diagnostic accuracy, achieving an overall accuracy of 98% on the test dataset. The precision, recall, and F1-scores ranging from 97 to 98% with a roc-auc ranging from 99 to 100% for each tumor category further substantiate the model's effectiveness. Additionally, the utilization of Grad-CAM visualizations provides insights into the model's decision-making process, enhancing interpretability. This research addresses the pressing need for enhanced diagnostic accuracy in identifying brain tumors through MRI imaging, tackling challenges such as variability in tumor appearance and the need for rapid, reliable diagnostic tools.


Assuntos
Neoplasias Encefálicas , Aprendizado Profundo , Imageamento por Ressonância Magnética , Redes Neurais de Computação , Humanos , Neoplasias Encefálicas/diagnóstico por imagem , Neoplasias Encefálicas/classificação , Imageamento por Ressonância Magnética/métodos , Algoritmos , Interpretação de Imagem Assistida por Computador/métodos , Masculino , Feminino
5.
BMC Med Imaging ; 24(1): 105, 2024 May 10.
Artigo em Inglês | MEDLINE | ID: mdl-38730390

RESUMO

Categorizing Artificial Intelligence of Medical Things (AIoMT) devices within the realm of standard Internet of Things (IoT) and Internet of Medical Things (IoMT) devices, particularly at the server and computational layers, poses a formidable challenge. In this paper, we present a novel methodology for categorizing AIoMT devices through the application of decentralized processing, referred to as "Federated Learning" (FL). Our approach involves deploying a system on standard IoT devices and labeled IoMT devices for training purposes and attribute extraction. Through this process, we extract and map the interconnected attributes from a global federated cum aggression server. The aim of this terminology is to extract interdependent devices via federated learning, ensuring data privacy and adherence to operational policies. Consequently, a global training dataset repository is coordinated to establish a centralized indexing and synchronization knowledge repository. The categorization process employs generic labels for devices transmitting medical data through regular communication channels. We evaluate our proposed methodology across a variety of IoT, IoMT, and AIoMT devices, demonstrating effective classification and labeling. Our technique yields a reliable categorization index for facilitating efficient access and optimization of medical devices within global servers.


Assuntos
Inteligência Artificial , Blockchain , Internet das Coisas , Humanos
6.
BMC Med Inform Decis Mak ; 24(1): 142, 2024 May 27.
Artigo em Inglês | MEDLINE | ID: mdl-38802836

RESUMO

Lung cancer remains a leading cause of cancer-related mortality globally, with prognosis significantly dependent on early-stage detection. Traditional diagnostic methods, though effective, often face challenges regarding accuracy, early detection, and scalability, being invasive, time-consuming, and prone to ambiguous interpretations. This study proposes an advanced machine learning model designed to enhance lung cancer stage classification using CT scan images, aiming to overcome these limitations by offering a faster, non-invasive, and reliable diagnostic tool. Utilizing the IQ-OTHNCCD lung cancer dataset, comprising CT scans from various stages of lung cancer and healthy individuals, we performed extensive preprocessing including resizing, normalization, and Gaussian blurring. A Convolutional Neural Network (CNN) was then trained on this preprocessed data, and class imbalance was addressed using Synthetic Minority Over-sampling Technique (SMOTE). The model's performance was evaluated through metrics such as accuracy, precision, recall, F1-score, and ROC curve analysis. The results demonstrated a classification accuracy of 99.64%, with precision, recall, and F1-score values exceeding 98% across all categories. SMOTE significantly enhanced the model's ability to classify underrepresented classes, contributing to the robustness of the diagnostic tool. These findings underscore the potential of machine learning in transforming lung cancer diagnostics, providing high accuracy in stage classification, which could facilitate early detection and tailored treatment strategies, ultimately improving patient outcomes.


Assuntos
Neoplasias Pulmonares , Redes Neurais de Computação , Tomografia Computadorizada por Raios X , Humanos , Neoplasias Pulmonares/diagnóstico por imagem , Neoplasias Pulmonares/classificação , Aprendizado de Máquina , Processamento de Imagem Assistida por Computador/métodos , Aprendizado Profundo
7.
Sci Rep ; 14(1): 7818, 2024 Apr 03.
Artigo em Inglês | MEDLINE | ID: mdl-38570527

RESUMO

In wireless networking, the security of flying ad hoc networks (FANETs) is a major issue, and the use of drones is growing every day. A distributed network is created by a drone network in which nodes can enter and exit the network at any time. Because malicious nodes generate bogus identifiers, FANET is unstable. In this research study, we proposed a threat detection method for detecting malicious nodes in the network. The proposed method is found to be most effective compared to other methods. Malicious nodes fill the network with false information, thereby reducing network performance. The secure ad hoc on-demand distance vector (AODV) that has been suggested algorithm is used for detecting and isolating a malicious node in FANET. In addition, because temporary flying nodes are vulnerable to attacks, trust models based on direct or indirect reliability similar to trusted neighbors have been incorporated to overcome the vulnerability of malicious/selfish harassment. A node belonging to the malicious node class is disconnected from the network and is not used to forward or forward another message. The FANET security performance is measured by throughput, packet loss and routing overhead with the conventional algorithms of AODV (TAODV) and reliable AODV secure AODV power consumption decreased by 16.5%, efficiency increased by 7.4%, and packet delivery rate decreased by 9.1% when compared to the second ranking method. Reduced packet losses and routing expenses by 9.4%. In general, the results demonstrate that, in terms of energy consumption, throughput, delivered packet rate, the number of lost packets, and routing overhead, the proposed secure AODV algorithm performs better than the most recent, cutting-edge algorithms.

8.
BMC Med Imaging ; 24(1): 82, 2024 Apr 08.
Artigo em Inglês | MEDLINE | ID: mdl-38589813

RESUMO

Breast Cancer is a significant global health challenge, particularly affecting women with higher mortality compared with other cancer types. Timely detection of such cancer types is crucial, and recent research, employing deep learning techniques, shows promise in earlier detection. The research focuses on the early detection of such tumors using mammogram images with deep-learning models. The paper utilized four public databases where a similar amount of 986 mammograms each for three classes (normal, benign, malignant) are taken for evaluation. Herein, three deep CNN models such as VGG-11, Inception v3, and ResNet50 are employed as base classifiers. The research adopts an ensemble method where the proposed approach makes use of the modified Gompertz function for building a fuzzy ranking of the base classification models and their decision scores are integrated in an adaptive manner for constructing the final prediction of results. The classification results of the proposed fuzzy ensemble approach outperform transfer learning models and other ensemble approaches such as weighted average and Sugeno integral techniques. The proposed ResNet50 ensemble network using the modified Gompertz function-based fuzzy ranking approach provides a superior classification accuracy of 98.986%.


Assuntos
Neoplasias da Mama , Feminino , Humanos , Neoplasias da Mama/diagnóstico por imagem , Detecção Precoce de Câncer , Mamografia , Bases de Dados Factuais , Aprendizado de Máquina
9.
BMC Med Inform Decis Mak ; 24(1): 113, 2024 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-38689289

RESUMO

Brain tumors pose a significant medical challenge necessitating precise detection and diagnosis, especially in Magnetic resonance imaging(MRI). Current methodologies reliant on traditional image processing and conventional machine learning encounter hurdles in accurately discerning tumor regions within intricate MRI scans, often susceptible to noise and varying image quality. The advent of artificial intelligence (AI) has revolutionized various aspects of healthcare, providing innovative solutions for diagnostics and treatment strategies. This paper introduces a novel AI-driven methodology for brain tumor detection from MRI images, leveraging the EfficientNetB2 deep learning architecture. Our approach incorporates advanced image preprocessing techniques, including image cropping, equalization, and the application of homomorphic filters, to enhance the quality of MRI data for more accurate tumor detection. The proposed model exhibits substantial performance enhancement by demonstrating validation accuracies of 99.83%, 99.75%, and 99.2% on BD-BrainTumor, Brain-tumor-detection, and Brain-MRI-images-for-brain-tumor-detection datasets respectively, this research holds promise for refined clinical diagnostics and patient care, fostering more accurate and reliable brain tumor identification from MRI images. All data is available on Github: https://github.com/muskan258/Brain-Tumor-Detection-from-MRI-Images-Utilizing-EfficientNetB2 ).


Assuntos
Neoplasias Encefálicas , Aprendizado Profundo , Imageamento por Ressonância Magnética , Humanos , Neoplasias Encefálicas/diagnóstico por imagem , Imageamento por Ressonância Magnética/métodos , Interpretação de Imagem Assistida por Computador/métodos , Inteligência Artificial
10.
BMC Med Imaging ; 24(1): 100, 2024 Apr 29.
Artigo em Inglês | MEDLINE | ID: mdl-38684964

RESUMO

PURPOSE: To detect the Marchiafava Bignami Disease (MBD) using a distinct deep learning technique. BACKGROUND: Advanced deep learning methods are becoming more crucial in contemporary medical diagnostics, particularly for detecting intricate and uncommon neurological illnesses such as MBD. This rare neurodegenerative disorder, sometimes associated with persistent alcoholism, is characterized by the loss of myelin or tissue death in the corpus callosum. It poses significant diagnostic difficulties owing to its infrequency and the subtle signs it exhibits in its first stages, both clinically and on radiological scans. METHODS: The novel method of Variational Autoencoders (VAEs) in conjunction with attention mechanisms is used to identify MBD peculiar diseases accurately. VAEs are well-known for their proficiency in unsupervised learning and anomaly detection. They excel at analyzing extensive brain imaging datasets to uncover subtle patterns and abnormalities that traditional diagnostic approaches may overlook, especially those related to specific diseases. The use of attention mechanisms enhances this technique, enabling the model to concentrate on the most crucial elements of the imaging data, similar to the discerning observation of a skilled radiologist. Thus, we utilized the VAE with attention mechanisms in this study to detect MBD. Such a combination enables the prompt identification of MBD and assists in formulating more customized and efficient treatment strategies. RESULTS: A significant breakthrough in this field is the creation of a VAE equipped with attention mechanisms, which has shown outstanding performance by achieving accuracy rates of over 90% in accurately differentiating MBD from other neurodegenerative disorders. CONCLUSION: This model, which underwent training using a diverse range of MRI images, has shown a notable level of sensitivity and specificity, significantly minimizing the frequency of false positive results and strengthening the confidence and dependability of these sophisticated automated diagnostic tools.


Assuntos
Aprendizado Profundo , Imageamento por Ressonância Magnética , Doença de Marchiafava-Bignami , Humanos , Doença de Marchiafava-Bignami/diagnóstico por imagem , Imageamento por Ressonância Magnética/métodos , Masculino , Feminino , Pessoa de Meia-Idade , Adulto , Interpretação de Imagem Assistida por Computador/métodos , Sensibilidade e Especificidade
11.
Environ Sci Pollut Res Int ; 31(21): 30415-30426, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38607482

RESUMO

Computational techniques, such as quantitative structure-property relationships (QSPRs), can play a significant role in exploring the important chemical features essential for the degree of sorption or sludge/water partition coefficient (Kd) towards sewage sludge of wastewater treatment process to evaluate the environmental consequence and risk of pharmaceuticals. The current research work aims to construct a predictive QSPR model for the sorption of 148 diverse active pharmaceutical ingredients (APIs) in sewage sludge during wastewater treatment. For the development of the model, we employed easily computable 2D descriptors as independent variables. The model has been developed following the Organization for Economic Cooperation and Development's (OECD) guidelines. It has undergone internal and external validation using a variety of methodologies, as well as been tested for its applicability domain. A measure of hydrophobicity, i.e., MLOGP2, showed the most promising contribution in modeling the sorption coefficient of APIs. Among other parameters, the number of tertiary aromatic amines, the presence of electronegative atoms like N, O, and Cl, the size of a molecule, the number of aromatic hydroxyl groups, the presence of substituted aromatic nitrogen atoms and alkyl-substituted tertiary carbon atoms were also found to be influential for the regulation of solid water partition coefficient of APIs during the wastewater treatment process. The statistical validity tests performed on the developed partial least squares (PLS) model showed that it is statistically evident, robust, and predictive (R2Train = 0.750, Q2LOO = 0.683, Q2F1 = 0.655, Q2F2 (or R2Test) = 0.651). In addition, the predictivity of the constructed model was further inspected by using the "prediction reliability indicator" tool for 14 external APIs.


Assuntos
Relação Quantitativa Estrutura-Atividade , Esgotos , Eliminação de Resíduos Líquidos , Águas Residuárias , Poluentes Químicos da Água , Esgotos/química , Águas Residuárias/química , Preparações Farmacêuticas/química , Poluentes Químicos da Água/química , Eliminação de Resíduos Líquidos/métodos
12.
Front Med (Lausanne) ; 11: 1373244, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38515985

RESUMO

Breast cancer, a prevalent cancer among women worldwide, necessitates precise and prompt detection for successful treatment. While conventional histopathological examination is the benchmark, it is a lengthy process and prone to variations among different observers. Employing machine learning to automate the diagnosis of breast cancer presents a viable option, striving to improve both precision and speed. Previous studies have primarily focused on applying various machine learning and deep learning models for the classification of breast cancer images. These methodologies leverage convolutional neural networks (CNNs) and other advanced algorithms to differentiate between benign and malignant tumors from histopathological images. Current models, despite their potential, encounter obstacles related to generalizability, computational performance, and managing datasets with imbalances. Additionally, a significant number of these models do not possess the requisite transparency and interpretability, which are vital for medical diagnostic purposes. To address these limitations, our study introduces an advanced machine learning model based on EfficientNetV2. This model incorporates state-of-the-art techniques in image processing and neural network architecture, aiming to improve accuracy, efficiency, and robustness in classification. We employed the EfficientNetV2 model, fine-tuned for the specific task of breast cancer image classification. Our model underwent rigorous training and validation using the BreakHis dataset, which includes diverse histopathological images. Advanced data preprocessing, augmentation techniques, and a cyclical learning rate strategy were implemented to enhance model performance. The introduced model exhibited remarkable efficacy, attaining an accuracy rate of 99.68%, balanced precision and recall as indicated by a significant F1 score, and a considerable Cohen's Kappa value. These indicators highlight the model's proficiency in correctly categorizing histopathological images, surpassing current techniques in reliability and effectiveness. The research emphasizes improved accessibility, catering to individuals with disabilities and the elderly. By enhancing visual representation and interpretability, the proposed approach aims to make strides in inclusive medical image interpretation, ensuring equitable access to diagnostic information.

13.
Sci Rep ; 14(1): 3741, 2024 02 14.
Artigo em Inglês | MEDLINE | ID: mdl-38355896

RESUMO

Inadequate conservation of medicinal plants can affect their productivity. Traditional assessments and strategies are often time-consuming and linked with errors. Utilizing herbs has been an integral part of the traditional system of medicine for centuries. However, its sustainability and conservation are critical due to climate change, over-harvesting and habitat loss. The study reveals how machine learning algorithms, geographic information systems (GIS) being a powerful tool for mapping and spatial analysis, and soil information can contribute to a swift decision-making approach for actual forethought and intensify the productivity of vulnerable curative plants of specific regions to promote drug discovery. The data analysis based on machine learning and data mining techniques over the soil, medicinal plants and GIS information can predict quick and effective results on a map to nurture the growth of the herbs. The work incorporates the construction of a novel dataset by using the quantum geographic information system tool and recommends the vulnerable herbs by implementing different supervised algorithms such as extra tree classifier (EXTC), random forest, bagging classifier, extreme gradient boosting and k nearest neighbor. Two unique approaches suggested for the user by using EXTC, firstly, for a given subregion type, its suitable soil classes and secondly, for soil type from the user, its respective subregion labels are revealed, finally, potential medicinal herbs and their conservation status are visualised using the choropleth map for classified soil/subregion. The research concludes on EXTC as it showcases outstanding performance for both soil and subregion classifications compared to other models, with an accuracy rate of 99.01% and 98.76%, respectively. The approach focuses on serving as a comprehensive and swift reference for the general public, bioscience researchers, and conservationists interested in conserving medicinal herbs based on soil availability or specific regions through maps.


Assuntos
Plantas Medicinais , Solo , Aprendizado de Máquina , Ecossistema , Algoritmos
14.
Sci Rep ; 14(1): 4391, 2024 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-38388689

RESUMO

Optimization algorithms have come a long way in the last several decades, with the goal of reducing energy consumption and minimizing interference with primary users during data transmission over shorter distances. The adaptive ant colony distributed intelligent based clustering algorithm (AACDIC) is a key component of the cognitive radio (CR) system because of its superior performance in spectrum sensing among a group of multi-users in terms of reduced sensing errors, power conservation, and faster convergence times. This study presents the AACDIC method, which improves energy efficiency by determining the ideal cluster count using connectedness and distributed cluster-based sensing. In this study, we take into account the reality of a system with an unpredictable number of both primary users and secondary users. As a result, the proposed AACDIC method outperforms pre-existing optimization algorithms by increasing the rate at which solutions converge via the utilisation of multi-user clustered communication. Experiments show that compared to other algorithms, the AACDIC method significantly reduces node power usage by 9.646 percent. The average power of Secondary Users nodes is reduced by 24.23 percent compared to earlier versions. The AACDIC algorithm is particularly strong at reducing the Signal-to-Noise Ratio to levels as low as 2 dB, which significantly increases the likelihood of detection. When comparing AACDIC to other primary detection optimization strategies, it is clear that it has the lowest false positive rate. The proposed AACDIC algorithm optimizes network capacity performance, as shown by the results of simulations, due to its ability to solve multimodal optimization challenges. Our analysis reveals that variations in SNR significantly affect the probability of successful detection, shedding light on the intricate interplay between signal strength, noise levels, and the overall reliability of sensor data. This insight contributes to a more comprehensive understanding of the proposed scheme's performance in realistic deployment scenarios, where environmental conditions may vary dynamically. The experimental results demonstrate the effectiveness of the proposed algorithm in mitigating the identified drawback and highlight the importance of SNR considerations in optimizing detection reliability in energy-constrained WSNs.

15.
J Chem Phys ; 159(2)2023 Jul 14.
Artigo em Inglês | MEDLINE | ID: mdl-37439468

RESUMO

The quantum adiabatic method, which maintains populations in their instantaneous eigenstates throughout the state evolution, is an established and often a preferred choice for state preparation and manipulation. Although it minimizes the driving cost significantly, its slow speed is a severe limitation in noisy intermediate-scale quantum era technologies. Since adiabatic paths are extensive in many physical processes, it is of broader interest to achieve adiabaticity at a much faster rate. Shortcuts to adiabaticity techniques, which overcome the slow adiabatic process by driving the system faster through non-adiabatic paths, have seen increased attention recently. The extraordinarily long lifetime of the long-lived singlet states (LLS) in nuclear magnetic resonance (NMR), established over the past decade, has opened several important applications ranging from spectroscopy to biomedical imaging. Various methods, including adiabatic methods, are already being used to prepare LLS. In this article, we report the use of counterdiabatic driving (CD) to speed up LLS preparation with faster drives. Using NMR experiments, we show that CD can give stronger LLS order in shorter durations than conventional adiabatic driving.

16.
Environ Sci Pollut Res Int ; 30(10): 26218-26233, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36355241

RESUMO

The rate and extent of biodegradation of petroleum hydrocarbons in the different aquatic environments is an important element to address. The major avenue for removing petroleum hydrocarbons from the environment is thought to be biodegradation. The present study involves the development of predictive quantitative structure-property relationship (QSPR) models for the primary biodegradation half-life of petroleum hydrocarbons that may be used to forecast the biodegradation half-life of untested petroleum hydrocarbons within the established models' applicability domain. These models use easily computable two-dimensional (2D) descriptors to investigate important structural characteristics needed for the biodegradation of petroleum hydrocarbons in freshwater (dataset 1), temperate seawater (dataset 2), and arctic seawater (dataset 3). All the developed models follow OECD guidelines. We have used double cross-validation, best subset selection, and partial least squares tools for model development. In addition, the small dataset modeler tool has been successfully used for the dataset with very few compounds (dataset 3 with 17 compounds), where dataset division was not possible. The resultant models are robust, predictive, and mechanistically interpretable based on both internal and external validation metrics (R2 range of 0.605-0.959. Q2(Loo) range of 0.509-0.904, and Q2F1 range of 0.526-0.959). The intelligent consensus predictor tool has been used for the improvement of the prediction quality for test set compounds which provided superior outcomes to those from individual partial least squares models based on several metrics (Q2F1 = 0.808 and Q2F2 = 0.805 for dataset 1 in freshwater). Molecular size and hydrophilic factor for freshwater, frequency of two carbon atoms at topological distance 4 for temperate seawater, and electronegative atom count relative to size for arctic seawater were found to be the most significant descriptors responsible for the regulation of biodegradation half-life of petroleum hydrocarbons.


Assuntos
Poluição por Petróleo , Petróleo , Petróleo/metabolismo , Hidrocarbonetos/química , Água do Mar/química , Biodegradação Ambiental , Relação Quantitativa Estrutura-Atividade
17.
Contrast Media Mol Imaging ; 2022: 2918126, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36128175

RESUMO

In the modern era of virtual computers over the notional environment of computer networks, the protection of influential documents is a major concern. To bring out this motto, digital watermarking with biometric features plays a crucial part. It utilizes advanced technology of cuffing data into digital media, i.e., text, image, video, or audio files. The strategy of cuffing an image inside another image by applying biometric features namely signature and fingerprint using watermarking techniques is the key purpose of this study. To accomplish this, a combined watermarking strategy consisting of Discrete Wavelet Transform, Discrete Cosine Transform, and Singular Value Decomposition (DWT-DCT-SVD) is projected for authentication of image that is foolproof against attacks. Here, singular values of watermark1 (fingerprint) and watermark2 (signature) are obtained by applying DWT-DCT-SVD. Affixing both the singular values of watermarks, we acquire the transformed watermark. Later, the same is applied to cover image to extract the singular values. Then we add these values to the cover image and transformed watermark to obtain a final watermarked image containing both signature and fingerprint. To upgrade the reliability, sturdiness, and originality of the image, a fusion of watermarking techniques along with dual biometric features is exhibited. The experimental results conveyed that the proposed scheme achieved an average PSNR value of about 40 dB, an average SSIM value of 0.99, and an embedded watermark resilient to various attacks in the watermarked image.


Assuntos
Algoritmos , Segurança Computacional , Biometria , Internet , Reprodutibilidade dos Testes
18.
Struct Chem ; 33(6): 2155-2168, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36035593

RESUMO

The SARS-CoV-2 virus has been identified as a causative agent for COVID-19 pandemic. About more than 6.3 million fatalities have been attributed to COVID-19 worldwide to date. Finding a viable cure for the illness is urgently needed in light of the present pandemic. The prominence of main protease in the life cycle of virus shapes the main protease as a viable target for design and development of antiviral agents to combat COVID-19. The current study presents the fragment linking strategy to design the novel Mpro inhibitors for COVID-19. A total of 293,451 fragments from diversified libraries have been screened for their binding affinity towards Mpro enzyme. The best 1600 fragment hits were subjected to fragment joining to achieve 100 new molecules using Schrödinger software. The resulting molecules were further screened for their Mpro binding affinity, ADMET, and drug-likeness features. The best 13 molecules were selected, and the first 6 compounds were investigated for their ligand-receptor complex stability through a molecular dynamics study using GROMACS software. The resulting molecules have the potential to be further evaluated for COVID-19 drug discovery.

19.
Comput Intell Neurosci ; 2022: 4451792, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35875742

RESUMO

Diabetes mellitus (DM), commonly known as diabetes, is a collection of metabolic illnesses characterized by persistently high blood sugar levels. The signs of elevated blood sugar include increased hunger, frequent urination, and increased thirst. If DM is not treated properly, it may lead to several complications. Diabetes is caused by either insufficient insulin production by the pancreas or an insufficient insulin response by the body's cells. Every year, 1.6 million individuals die from this disease. The objective of this research work is to use relevant features to construct a blended ensemble learning (EL)-based forecasting system and find the optimal classifier for comparing clinical outputs. The EL based on Bayesian networks and radial basis functions has been proposed in this article. The performances of five machine learning (ML) techniques, namely, logistic regression (LR), decision tree (DT) classifier, support vector machine (SVM), K-nearest neighbors (KNN), and random forest (RF), are compared with the proposed EL technique. Experiments reveal that the EL method performs better than the existing ML approaches in predicting diabetic illness, with the remarkable accuracy of 97.11%. The proposed ensemble learning could be useful in assisting specialists in accurately diagnosing diabetes and assisting patients in receiving the appropriate therapy.


Assuntos
Diabetes Mellitus , Insulinas , Teorema de Bayes , Glicemia , Diabetes Mellitus/diagnóstico , Diabetes Mellitus/terapia , Humanos , Aprendizado de Máquina , Máquina de Vetores de Suporte
20.
Comput Intell Neurosci ; 2022: 9005278, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35479597

RESUMO

As a result of technology improvements, various features have been collected for heart disease diagnosis. Large data sets have several drawbacks, including limited storage capacity and long access and processing times. For medical therapy, early diagnosis of heart problems is crucial. Disease of heart is a devastating human disease that is quickly increasing in developed and also developing countries, resulting in death. In this type of disease, the heart normally fails to provide enough blood to different body parts in order to allow them to perform their regular functions. Early, as well as, proper diagnosis of this condition is very critical for averting further damage and also to save patients' lives. In this work, machine learning (ML) is utilized to find out whether a person has cardiac disease or not. Both the types of ensemble classifiers, namely, homogeneous as well as heterogeneous classifiers (formed by combining two separate classifiers), have been implemented in this work. The data mining preprocessing using Synthetic Minority Oversampling Technique (SMOTE) has been employed to cope with the imbalance problem of the class as well as noise. The proposed work has two steps. SMOTE is used in the initial phase to reduce the impact of data imbalance and the second phase is classifying data using Naive Bayes (NB), decision tree (DT) algorithms, and their ensembles. The experimental results demonstrate that the AdaBoost-Random Forest classifier provides 95.47% accuracy in the early detection of heart disease.


Assuntos
Algoritmos , Cardiopatias , Teorema de Bayes , Diagnóstico Precoce , Cardiopatias/diagnóstico , Humanos , Projetos de Pesquisa
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