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Extrapolation of lung pharmacokinetics of antitubercular drugs from preclinical species to humans using PBPK modelling (vol 79, pg 1362, 2024)

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JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY 2024年第9期79卷 2411-2411页

作者： Karakitsios, Evangelos Dokoumetzidis, Aristides Department of Pharmacy University of Athens Panepistimiopolis Zografou 15784 Athens Greece Pharma-Informatics Unit Athena Research Center Artemidos 6 & Epidavrou 15125 Marousi Greece Institute for Applied Computing “Mauro Picone” National Research Council (CNR) Via dei Taurini 19 00185 Rome Italy

Objectives To develop physiologically based pharmacokinetic (PBPK) models for widely used anti-TB drugs, namely rifampicin, pyrazinamide, isoniazid, ethambutol and moxifloxacin lung pharmacokinetics (PK)—regarding both healthy and TB-infected tissue (cellular lesion and caseum)—in preclinical species and to extrapolate to *** Empirical models were used for the plasma PK of each species, which were connected to multicompartment permeability-limited lung models within a middle-out PBPK approach with an appropriate physiological parameterization that was scalable across species. Lung’s extracellular water (EW) was assumed to be the linking component between healthy and infected tissue, while passive diffusion was assumed for the drug transferring between cellular lesion and *** In rabbits, optimized unbound fractions in intracellular water of rifampicin, moxifloxacin and ethambutol were 0.015, 0.056 and 0.08, respectively, while the optimized unbound fractions in EW of pyrazinamide and isoniazid in mice were 0.25 and 0.17, respectively. In humans, all mean extrapolated daily AUC and Cmax values of various lung regions were within 2-fold of the observed ones. Unbound concentrations in the caseum were lower than unbound plasma concentrations for both rifampicin and moxifloxacin. For rifampicin, unbound concentrations in cellular rim are slightly lower, while for moxifloxacin they are significantly higher than unbound plasma *** The developed PBPK approach was able to extrapolate lung PK from preclinical species to humans and to predict unbound concentrations in the various TB-infected regions, unlike empirical lung models. We found that plasma free drug PK is not always a good surrogate for TB-infected tissue unbound PK.

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Modeling Hybrid Feature-Based Phishing Websites Detection Using Machine Learning Techniques

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Annals of Data Science 2024年第1期11卷 217-242页

作者： Das Guptta, Sumitra Shahriar, Khandaker Tayef Alqahtani, Hamed Alsalman, Dheyaaldin Sarker, Iqbal H. Department of Computer Science and Engineering Chittagong University of Engineering & ampTechnology Chittagong4349 Bangladesh Unit of Cybersecurity Department of Computer Science Center of Artificial Intelligence King Khalid University Abha Saudi Arabia School of Engineering Computing and Informatics Dar Al-Hekma University Jeddah Saudi Arabia

In this paper, we mainly present a machine learning based approach to detect real-time phishing websites by taking into account URL and hyperlink based hybrid features to achieve high accuracy without relying on any third-party systems. In phishing, the attackers typically try to deceive internet users by masking a webpage as an official genuine webpage to steal sensitive information such as usernames, passwords, social security numbers, credit card information, etc. Anti-phishing solutions like blacklist or whitelist, heuristic, and visual similarity based methods cannot detect zero-hour phishing attacks or brand-new websites. Moreover, earlier approaches are complex and unsuitable for real-time environments due to the dependency on third-party sources, such as a search engine. Hence, detecting recently developed phishing websites in a real-time environment is a great challenge in the domain of cybersecurity. To overcome these problems, this paper proposes a hybrid feature based anti-phishing strategy that extracts features from URL and hyperlink information of client-side only. We also develop a new dataset for the purpose of conducting experiments using popular machine learning classification techniques. Our experimental result shows that the proposed phishing detection approach is more effective having higher detection accuracy of 99.17% with the XG Boost technique than traditional approaches. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2022.

关键词： Search engines

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Groundbreaking taxonomy of metaverse characteristics

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Artificial Intelligence Review 2025年第8期58卷 1-50页

作者： Sadeghi-Niaraki, Abolghasem Rahimi, Fatema Azlan, Nur Alya Emanuelle Binti Song, Houbing Ali, Farman Choi, Soo-Mi Department of Computer Science and Engineering and Convergence Engineering for Intelligent Drone XR Research Center Sejong University Seoul Korea Republic of BaltimoreMD21250 United States Department of Applied AI School of Convergence College of Computing and Informatics Sungkyunkwan University Seoul03063 Korea Republic of

The Metaverse, a dynamic and immersive virtual realm, has captured the imagination of researchers and enthusiasts worldwide. This survey paper aims to introduce a groundbreaking taxonomy for the characteristics of the Metaverse offering a structured and adaptable framework that extends beyond existing categorizations by incorporating dynamic transformations. Unlike prior taxonomies, which often focus on fixed attributes, our approach emphasizes the dynamic evolution of Metaverse characteristics. Through an extensive review of published literature, this study explores key technological, social, economic, and ethical dimensions of the Metaverse. It introduces a process-oriented classification based on 23 distinct characteristics, including immersification, spatiotemporalification, interactification, persistentification, presentification, personification, unification, imaginification, economification, uncertaintification, and credification. By mapping these evolving aspects, we provide a structured and future-proof foundation for understanding the Metaverse’s continuous development. This survey establishes a new standard for comprehensiveness and innovation, shedding light on the diverse facets that have been explored in literature. Through this novel taxonomy, we provide a detailed map of the current landscape and offer insights that pave the way for future research and development in this burgeoning digital frontier. © The Author(s) 2025.

关键词： Comprehensive analysis Futuristic exploration Metaverse characteristics Paradigm-shifting taxonomy Revolutionary categorization

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Entanglement-assisted phase-estimation algorithm for calculating dynamical response functions

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Physical Review A 2024年第2期110卷 022618页

作者： Rei Sakuma Shu Kanno Kenji Sugisaki Takashi Abe Naoki Yamamoto Materials Informatics Initiative RD Technology & Digital Transformation Center Quantum Computing Center Science & Innovation Center Yokohama 227-8502 Japan Graduate School of Science and Technology Centre for Quantum Engineering Research and Education Department of Applied Physics and Physico-Informatics

Dynamical response functions are fundamental quantities to describe the excited-state properties in quantum many-body systems. Quantum algorithms have been proposed to evaluate these quantities by means of quantum phase estimation (QPE), where the energy spectra are directly extracted from the QPE measurement outcomes in the frequency domain. Accurate estimation of excitation energies and transition probabilities with these QPE-based approaches is, however, challenging because of the problem of spectral leakage (or peak broadening) which is inherent in the QPE algorithm. To overcome this issue, in this work we consider an extension of the QPE-based approach adopting the optimal entangled input states, which is known to achieve the Heisenberg-limited scaling for the estimation precision. We show that with this method the peaks in the calculated energy spectra are more localized than those calculated by the original QPE-based approaches, suggesting the mitigation of the spectral leakage problem. By analyzing the probability distribution with the entangled phase estimation, we propose a simple scheme to better estimate both the transition energies and the corresponding transition probabilities of the peaks of interest in the spectra. The validity of our prescription is demonstrated by numerical simulations in various quantum many-body problems: the spectral function of a simple electron-plasmon model in condensed-matter physics, the dipole transitions of the H2O molecule in quantum chemistry, and the electromagnetic transitions of the Li6 nucleus in nuclear physics.

关键词： Electronic transitions Nuclear transition rates Quantum computation Green's function methods

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Sixth Order Numerical Method for Solving Second Order Nonlinear Boundary Value Problem 2nd

Sixth Order Numerical Method for Solving Second Order Nonlin...

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2nd International Conference on Advances in Information and Communication Technology, ICTA 2023

作者： Quang A, Dang Ha Hai, Truong Center for Informatics and Computing VAST Hanoi Viet Nam Thái Nguyên University of Information and Communication Technology Thái Nguyên Viet Nam

ISBN: (纸本)9783031495281

In this paper we propose a numerical method of sixth order of accuracy for solving the Dirichlet problem for second order nonlinear differential equation. It is based on the use of sixth order difference schemes for second order linear boundary value problems and approximation of the first derivative by difference formulas with sixth order of accuracy at each iteration of a constructed iterative method on continuous level. The total error of the numerical solution is obtained. Many examples confirmed the accuracy of sixth order of the method and its advantages over some other methods. © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.

关键词： Numerical methods

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Multi-criteria rating conversion without relation loss for recommender systems

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International Journal of Computers and Applications 2022年第2期44卷 130-138页

作者： Sitkrongwong, Padipat Maneeroj, Saranya Takasu, Atsuhiro Department of Informatics School of Multidisciplinary Sciences The Graduate University for Advanced Studies SOKENDAI Tokyo Japan Advanced Virtual and Intelligent Computing Center Department of Mathematics and Computer Science Faculty of Science Chulalongkorn University Bangkok Thailand National Institute of Informatics Tokyo Japan

Traditional recommender systems let users provide a single rating indicating their overall preferences toward items. Beside overall rating, multi-criteria recommender systems let users rate on multiple aspects of items with multi-criteria ratings. Most methods in recommender systems are based on collaborative filtering, which makes recommendations by exploiting ratings from neighbor users. However, most of them ignore the fact that rating behaviors of users vary due to their personal preference biases. Thus, exploiting ratings from neighbors directly might result in a poor recommendation. To solve this, the rating conversion techniques have been applied in some single criterion recommendations. For multi-criteria ratings, converting each criterion rating independently might result in loss of relation among criteria ratings. We propose a novel method that simultaneously converts all criteria ratings between users to maintain their implicit relations. The multi-criteria ratings are first normalized by variances of users and principle component analysis is applied to extract user preference patterns. Such patterns are then used for multi-criteria rating conversion. The experiment results show that our method outperforms both current single and multi-criteria rating conversion techniques with RMSEs of 1.1082 and 3.5574 on TripAdvisor and Yahoo datasets respectively, while maintaining considerably high level of prediction coverages. © 2019 Informa UK Limited, trading as Taylor & Francis Group.

关键词： Recommender systems

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SURVEY OF FACE RECOGNITION USING EIGENFACES 5

SURVEY OF FACE RECOGNITION USING EIGENFACES

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5th International Conference on Robotics and Computer Vision, ICRCV 2023

作者： Almazrouei, Khawla Rabie, Tamer Autonomous Robotics Research Center Technology Innovation Institute Abu Dhabi United Arab Emirates College of Computing and Informatics The University of Sharjah Sharjah United Arab Emirates

ISBN: (纸本)9798350326369

Facial recognition algorithms are increasingly becoming popular in recent times. This is due to its multiple functions across diverse disciplines. As a result of its importance, most especially for authentication and verification purposes. There is a need for updated research that will provide a comprehensive summary of facial recognition systems using the eigenfaces algorithm. As a result, this research provided the latest development and overview of facial recognition systems using eigenfaces in the last five years, 2018-2022. A database search was performed to include the most recent articles. The articles were reviewed for the mathematical background, techniques and methods, and experimental results. The review of the articles shows that eigenfaces are one of such algorithms that have been explored in solving the problem of facial detection and identification over the years. The accuracy and recognition rate of the algorithm proved to be one of the significances of eigenfaces. © 2023 IEEE.

关键词： Face recognition

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Single-cell and multi-omics integration reveals cholesterol biosynthesis as a synergistic target with HER2 in aggressive breast cancer

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Computational and Structural Biotechnology Journal 2025年 27卷 1719-1731页

作者： Tseng, Tzu-Yang Hsieh, Chiao-Hui Liu, Jie-Yu Huang, Hsuan-Cheng Juan, Hsueh-Fen Department of Life Science National Taiwan University Taipei Taiwan Institute of Biomedical Informatics National Yang Ming Chiao Tung University Taipei Taiwan Graduate Institute of Biomedical Electronics and Bioinformatics National Taiwan University Taipei Taiwan Center for Computational and Systems Biology National Taiwan University Taipei Taiwan Center for Advanced Computing and Imaging in Biomedicine National Taiwan University Taipei Taiwan

Breast cancer stands as one of the most prevalent malignancies affecting women. Alterations in molecular pathways in cancer cells represent key regulatory disruptions that drive malignancy, influencing cancer cell survival, proliferation, and potentially modulating therapeutic responsiveness. Therefore, decoding the intricate molecular mechanisms and identifying novel therapeutic targets through systematic computational approaches are essential steps toward advancing effective breast cancer treatments. In this study, we developed an integrative computational framework that combines single-cell RNA sequencing (scRNA-seq) and multi-omics analyses to delineate the functional characteristics of malignant cell subsets in breast cancer patients. Our analyses revealed a significant correlation between cholesterol biosynthesis and HER2 expression in malignant breast cancer cells, supported by proteomics data, gene expression profiles, drug treatment scores, and cell-surface HER2 intensity measurements. Given previous evidence linking cholesterol biosynthesis to HER2 membrane dynamics, we proposed a combinatorial strategy targeting both pathways. Experimental validation through clonogenic and viability assays demonstrated that simultaneous inhibition of cholesterol biosynthesis (via statins) and HER2 (via Neratinib) synergistically reduced malignant breast cancer cells, even in HER2-negative contexts. Through systematic analysis of scRNA-seq and multi-omics data, our study computationally identified and experimentally validated cholesterol biosynthesis and HER2 as novel combinatorial therapeutic targets in breast cancer. This data-driven approach highlights the potential of leveraging multiple molecular profiling techniques to uncover previously unexplored treatment strategies. © 2025 The Authors

关键词： Drug infusion

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DARE: Sequence-Structure Dual-Aware Encoder for RNA-Protein Binding Prediction

DARE: Sequence-Structure Dual-Aware Encoder for RNA-Protein ...

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2023 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2023

作者： Shen, Luhan He, Chengxin Wang, Haiying Qu, Yuening Duan, Lei Sichuan University School of Computer Science Chengdu China Sichuan University Med-X Center for Informatics Chengdu China Ulster University School of Computing United Kingdom

ISBN: (纸本)9798350337488

Predicting RNA-protein binding sites helps to explore the mechanisms of the interaction between RNA and proteins. Numerous deep learning methods have been applied to predict RNA-protein binding sites. Some of these methods use only sequence information for prediction which could lose information about the topology. And there may be a loss of important information if the secondary structure features are simply represented as one-hot matrices. Furthermore, existing deep learning methods are usually based on convolutional neural networks for feature extraction, which tend to focus on local features. As for the information of the whole sequence, existing methods usually ignore global features. Therefore, we propose a novel deep learning model called DARE for RNA-protein binding sites prediction using both sequence and secondary structure information of RNA. DARE employs the secondary structure feature extraction module to capture the features of the RNA secondary structure and learn the topological information. Therefore, we design a local feature extraction module and a global feature integration module to capture the whole information of RNA. Thus we can achieve the purpose of complementary information. Extensive experiments demonstrate that DARE outperforms baselines. Our analysis of the case study further confirm the effectiveness of DARE. © 2023 IEEE.

关键词： RNA secondary structure RNA-proteins binding prediction Transformer

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Egocentric Whole-Body Motion Capture with FisheyeViT and Diffusion-Based Motion Refinement

Egocentric Whole-Body Motion Capture with FisheyeViT and Dif...

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Conference on Computer Vision and Pattern Recognition (CVPR)

作者： Jian Wang Zhe Cao Diogo Luvizon Lingjie Liu Kripasindhu Sarkar Danhang Tang Thabo Beeler Christian Theobalt MPI Informatics & Saarland Informatics Campus Saarbrucken Research Center for Visual Computing Interaction and Artificial Intelligence Google University of Pennsylvania

ISBN: (数字)9798350353006

ISBN: (纸本)9798350353013

In this work, we explore egocentric whole-body motion capture using a single fisheye camera, which simultane-ously estimates human body and hand motion. This task presents significant challenges due to three factors: the lack of high-quality datasets, fisheye camera distortion, and hu-man body self-occlusion. To address these challenges, we propose a novel approach that leverages Fisheye ViT to ex-tract fisheye image features, which are subsequently con-verted into pixel-aligned 3D heatmap representations for 3D human body pose prediction. For hand tracking, we incorporate dedicated hand detection and hand pose esti-mation networks for regressing 3D hand poses. Finally, we develop a diffusion-based whole-body motion prior model to refine the estimated whole-body motion while accounting for joint uncertainties. To train these networks, we col-lect a large synthetic dataset, Ego WholeBody, comprising 840,000 high-quality egocentric images captured across a diverse range of whole-body motion sequences. Quantitative and qualitative evaluations demonstrate the effective-ness of our method in producing high-quality whole-body motion estimates from a single egocentric camera.

关键词： Heating systems Three-dimensional displays Uncertainty Tracking Pose estimation Cameras Distortion

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