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Oxidative Stress and Natural Antioxidants: Back and Forth in the Neurological Mechanisms of Alzheimer’s disease

Journal of Alzheimer's disease 2023年第3期96卷 877-912页

作者： Mani, Shalini dubey, Rajni Lai, I-Chun Babu, M. Arockia Tyagi, Sakshi Swargiary, Geeta Mody, deepansh Singh, Manisha Agarwal, Shriya Iqbal, danish Kumar, Sanjay Hamed, Munerah Sachdeva, Punya Almutary, Abdulmajeed G. Albadrani, Hind Muteb Ojha, Shreesh Singh, Sandeep Kumar Jha, Niraj Kumar Centre for Emerging Diseases Department of Biotechnology Jaypee Institute of Information Technology UP Noida India Division of Cardiology Department of Internal Medicine Taipei Medical University Hospital Taipei Taiwan School of Medicine National Yang Ming Chiao Tung University Taipei Taiwan Division of Radiation Oncology Department of Oncology Taipei Veterans General Hospital Taipei Taiwan The Ph.D. Program for Translational Medicine College of Medical Science and Technology Taipei Medical University Academia Sinica Taipei Taiwan Institute of Pharmaceutical Research GLA University Mathura India Department of Molecular Sciences Macquarie University Sydney Australia Department of Health Information Management College of Applied Medical Sciences Buraydah Private Colleges Buraydah Saudi Arabia Department of Life Sciences School of Basic Sciences and Research (SBSR) Sharda University Uttar Pradesh Greater Noida India Department of Pathology Faculty of Medicine Umm Al-Qura University Makkah Saudi Arabia GloNeuro Vishwakarma Road Noida India Department of Biomedical Sciences College of Health Sciences Abu Dhabi University Abu Dhabi United Arab Emirates Department of Clinical Laboratory Sciences College of Applied Medical Sciences Imam Abdulrahman Bin Faisal University Eastern Province Dammam Saudi Arabia Department of Pharmacology and Therapeutics College of Medicine and Health Sciences United Arab Emirates University Abu Dhabi United Arab Emirates Indian Scientific Education and Technology Foundation Lucknow India Department of Biotechnology School of Engineering & Technology (SET) Sharda University Uttar Pradesh Greater Noida India School of Bioengineering and Biosciences Lovely Professional University Punjab Phagwara India Department of Biotechnology School of Applied & Life Sciences (SALS) Uttaranchal University Uttarakhand Dehradun India Department of Biotechnology Engineering and Food Technology Chandigarh University Mohali India

Alzheimer’s disease (Ad) is characterized by the progressive degeneration of neuronal cells. With the increase in aged population, there is a prevalence of irreversible neurodegenerative changes, causing a significant mental, social, and economic burden globally. The factors contributing to Ad are multidimensional, highly complex, and not completely understood. However, it is widely known that aging, neuroinflammation, and excessive production of reactive oxygen species (ROS), along with other free radicals, substantially contribute to oxidative stress and cell death, which are inextricably linked. While oxidative stress is undeniably important in Ad, limiting free radicals and ROS levels is an intriguing and potential strategy for deferring the process of neurodegeneration and alleviating associated symptoms. Therapeutic compounds from natural sources have recently become increasingly accepted and have been effectively studied for Ad treatment. These phytocompounds are widely available and a multitude of holistic therapeutic efficiencies for treating Ad owing to their antioxidant, anti-inflammatory, and biological activities. Some of these compounds also function by stimulating cholinergic neurotransmission, facilitating the suppression of beta-site amyloid precursor protein-cleaving enzyme 1, α-synuclein, and monoamine oxidase proteins, and deterring the occurrence of Ad. Additionally, various phenolic, flavonoid, and terpenoid phytocompounds have been extensively described as potential palliative agents for Ad progression. Preclinical studies have shown their involvement in modulating the cellular redox balance and minimizing ROS formation, displaying them as antioxidant agents with neuroprotective abilities. This review emphasizes the mechanistic role of natural products in the treatment of Ad and discusses the various pathological hypotheses proposed for Ad. © 2023 – IOS Press. All rights reserved.

关键词： Alzheimer’s disease antioxidants neuroprotection oxidative stress therapeutics vitamins

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OpenMM 8: Molecular dynamics Simulation with Machine Learning Potentials

arXiv

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arXiv 2023年

作者： Eastman, Peter Galvelis, Raimondas Peláez, Raúl P. Abreu, Charlles R.A. Farr, Stephen E. Gallicchio, Emilio Gorenko, Anton Henry, Michael M. Hu, Frank Huang, Jing Krämer, Andreas Michel, Julien Mitchell, Joshua A. Pande, Vijay S. Rodrigues, João P.G.L.M. Rodriguez-Guerra, Jaime Simmonett, Andrew C. Singh, Sukrit Swails, Jason Turner, philip Wang, Yuanqing Zhang, Ivy Chodera, John d. de Fabritiis, Gianni Markland, Thomas E. Department of Chemistry Stanford University StanfordCA94305 United States Acellera Labs C Dr Trueta 183 Barcelona08005 Spain C Dr. Aiguader 88 Barcelona08003 Spain Chemical Engineering Department School of Chemistry Federal University of Rio de Janeiro Rio de Janeiro68542 Brazil Redesign Science Inc. 180 Varick St. New YorkNY10014 United States EaStCHEM School of Chemistry University of Edinburgh EH9 3FJ United Kingdom Department of Chemistry and Biochemistry Brooklyn College The City University of New York NY United States Ph.D. Program in Chemistry Ph.D. Program in Biochemistry The Graduate Center of the City University of New York New YorkNY United States Stream HPC Koningin Wilhelminaplein 1 - 40601 Amsterdam1062 HG Netherlands Computational and Systems Biology Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New YorkNY10065 United States Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University 18 Shilongshan Road Zhejiang Hangzhou310024 China Department of Mathematics and Computer Science Freie Universität Berlin Arnimallee 12 Berlin14195 Germany The Open Force Field Initiative Open Molecular Software Foundation DavisCA95616 United States Andreessen Horowitz 2865 Sand Hill Rd Menlo ParkCA94025 United States Department of Structural Biology Stanford University StanfordCA94305 United States Charité Universitätsmedizin Berlin In silico Toxicology and Structural Bioinformatics Virchowweg 6 Berlin10117 Germany Laboratory of Computational Biology National Heart Lung and Blood Institute National Institutes of Health BethesdaMD20892 United States Entos Inc. 9310 Athena Circle La Jolla CA92037 United States College of Engineering Virginia Polytechnic Institute State University BlacksburgVA24061 United States Simons Center for Computational Physical Chemistry Center for Data Science New York University 24 Waverly Place New YorkNY10004 United States T

Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbitrary PyTorch models can be added to a simulation and used to compute forces and energy. A higher-level interface allows users to easily model their molecules of interest with general purpose, pretrained potential functions. A collection of optimized CUdA kernels and custom PyTorch operations greatly improves the speed of simulations. We demonstrate these features on simulations of cyclin-dependent kinase 8 (CdK8) and the green fluorescent protein (GFP) chromophore in water. Taken together, these features make it practical to use machine learning to improve the accuracy of simulations at only a modest increase in cost. Copyright © 2023, The Authors. All rights reserved.

关键词： Machine learning

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driverdBv4:ã multi-omics integration database for cancer driv er g ene resear c h

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Nucleic Acids Research 2024年第D1期52卷 D1246-D1252页

作者： Liu, Chia-Hsin Lai, Yo-Liang Shen, Pei-Chun Liu, Hsiu-Cheng Tsai, Meng-Hsin Wang, Yu-de Lin, Wen-Jen Chen, Fang-Hsin Li, Chia-Yang Wang, Shu-Chi Hung, Mien-Chie Cheng, Wei-Chung Cancer Biologyãnd Precision Therapeutics Center China Medical University Taichung 404328 Taiwan Department of Radiation Oncology China Medical University Taichung 404328 Taiwan Graduate Institute of Biomedical Sciences China Medical University Taichung 404328 Taiwan Department of Urology China Medical University Taichung 404328 Taiwan School of Medicine China Medical University Taichung 404328 Taiwan Institute of Nuclear Engineeringãnd Science National Tsing Hua University Hsinchu 300044 Taiwan Graduate Institute of Medicine College of Medicine Kaohsiung Medical University Kaohsiung 80708 Taiwan Department of Medical Laboratory Scienceãnd Biotechnology Kaohsiung Medical University Kaohsiung 80708 Taiwan Institute of Biochemistryãnd Molecular Biology China Medical University Taichung 404328 Taiwan Molecular Medicine Center China Medical University Hospital China Medical University Taichung 404328 Taiwan Department of Biotechnology Asia University Taichung 413305 Taiwan The Ph.D. program for Cancer Biologyãnd Drug Discovery China Medical Universityãnd Academia Sinica Taichung 404328 Taiwan

A dvãncements in high-throughput technology offer researchersãn e xtensiv e range of multi-omics data that provide deep insights into the complex landscape of cancer biology . However , traditional statistical modelsãnd databasesãre inadequate to interpret these high-dimensional data withinã multi-omics frame w ork. Toãddress this limitation, we introduce driverdBv4,ãn updated iteration of the driverdB cancer driver gene database ( http://driv *** ***/). T his updated v ersion offers se v eral significant enhancements: (i)ãn increase in the number of cohorts from 33 to 70, encompassingãpproximately 24 0 0 0 samples;(ii) inclusion of proteomics data,ãugmenting the existing types of omics dataãnd thus expanding theãnalytical scope;(iii) implementation of multiple multi-omicsãlgorithms for identification of cancer drivers;(iv) new visualization features designed to succinctly summarize high-context dataãnd redesigned existing sections toãccommodate the increased volume of datasetsãnd (v) two new functions in Customized Analysis, specifically designed for multi-omics driver identificationãnd subgroup e xpressionãnaly sis. driv erdBv4 fãcilitates comprehensiv e interpretãtion of multi-omics datããcross diverse cancer types, thereby enriching the understanding of cancer heterogeneityãndãiding in the de v elopment of personalized clinicalãpproaches. The database is designed to fosterã more nuanced understanding of the multi-faceted nature of cancer. © The Author(s) 2023.

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Improvement of extracellular polysaccharides production from Cordyceps militaris immobilized alginate beads in repeated-batch fermentation

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LWT 2024年 193卷

作者： Hou, Shi-Jing Cheng, Kuan-Chen Lin, Shyh-Hsiang Hsiao, I-Lun Santoso, Shella Permatasari Singajaya, Stephanie Chou, Yu-Chieh Lin, Shin-Ping Master Program in Food Safety Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan Institute of Biotechnology National Taiwan University 1 Roosevelt Rd. Sec. 4 Taipei10617 Taiwan Graduate Institute of Food Science and Technology National Taiwan University 1 Roosevelt Rd. Sec. 4 Taipei10617 Taiwan Department of Medical Research China Medical University Hospital China Medical University 91 Hsueh-Shih Rd. Taichung40402 Taiwan Department of Optometry Asia University 500 Lioufeng Rd. Wufeng Taichung41354 Taiwan School of Nutrition and Health Sciences Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan School of Food Safety Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan Department of Chemical Engineering Widya Mandala Surabaya Catholic University Kalijudan 37 East Java Surabaya60114 Indonesia Collaborative Research Center for Sustainable and Zero Waste Industries Kalijudan 37 East Java Surabaya60114 Indonesia Ph.D. Program in Drug Discovery and Development Industry Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan Research Center of Biomedical Device Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan TMU Research Center for Digestive Medicine Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan

Cordyceps militaris (C. militaris) is a unique medicinal fungus of the genus Cordyceps. It has high economic value due to various biological functions from the extracellular polysaccharides (EPSs) it produces. The aim of this study was to establish a mycelium-immobilization system for EPS production in a bubble column system. First, EPS production was optimized by 90.2% (from 0.72 to 1.37 g/L) using response surface methodology under an alginate-immobilized mycelium system with 6 days of cultivation. The highest EPS production was obtained (5.3 g/L) in a flask system through elongation to 15 days of cultivation. EPS production subsequently further increased to 10.42 g/L utilizing a bubble column reactor. Furthermore, the system can be reused for at least three rounds. In the EPS characteristics analysis, the produced EPSs were mainly composed of glucose and galactose. They presented strong antibacterial activity against Staphylococcus aureus. In terms of antioxidant activity, respective the EPS concentration that caused 50% scavenging of dPph and ABTS free radicals values (IC50) were 4.65 and 7.92 mg/mL. In summary, these findings should be helpful for establishing a suitable industrial fermentation system for C. militaris and can be studied in the food and medical industries in future work. © 2024 The Authors

关键词： Mycelium

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Enhancing healthcare AI stability with edge computing and machine learning for extubation prediction

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Scientific Reports 2025年第1期15卷 1-11页

作者： Huang, Kuo-Yang Hsu, Ying-Lin Chung, Che-Liang Chen, Huang-Chi Horng, Ming-Hwarng Lin, Ching-Hsiung Liu, Ching-Sen Xu, Jia-Lang Division of Chest Medicine Department of Internal Medicine Changhua Christian Hospital Changhua Taiwan Institute of Genomics and Bioinformatics National Chung Hsing University Taichung Taiwan Ph.D. Program in Medical Biotechnology National Chung Hsing University Taichung Taiwan Institute of Statistics National Chung Hsing University Taichung Taiwan Division of Chest Medicine Department of Internal Medicine Yuanlin Christian Hospital Changhua Taiwan Department of Applied Mathematics National Chung Hsing University Taichung Taiwan Department of Computer Science and Information Engineering Chaoyang University of Technology Taichung Taiwan

The advancement of the Internet of Medical Things (IoMT) has revolutionized data acquisition and processing in critical care settings. Given the pivotal role of ventilators, accurately predicting extubation outcomes is essential to optimize patient care. This study presents an edge computing-based framework that incorporates machine learning algorithms to predict ventilator extubation success using real-time data collected directly from ventilators. The system was deployed on edge devices to enable on-site inference with minimal latency. Among the evaluated models, Random Forest and XGBoost, the latter demonstrated superior predictive performance under both holdout and tenfold cross-validation schemes. Notably, the edge-based architecture reduced server data transmissions by 83.33%, while improving system stability, resilience, and sustainability. This paper details the model evaluation and demonstrates the feasibility and efficiency of edge intelligence in ventilator weaning decision support. © The Author(s) 2025.

关键词： Clinical decision support system Edge-computing Extubation Internet of medical things Machine learning

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Sulfur-inspired layered g-C 3 N 4 -incorporated NiFe 2 S 4 nanocomposite for electrochemical and real-time detection of vanillin in food samples

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Journal of the Taiwan Institute of Chemical Engineers 2025年 174卷

作者： Arun Tamilselvan Meenakumari Gopakumar Gopika Aravinth Karuppanan Beena Saraswathyamma Norah A. Albassami Mani Govindasamy Department of Physics SSN Research centre Sri Sivasubramaniya Nadar College of Engineering Kalavakkam Tamilnadu 603110 India International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Department of chemistry Amrita Vishwa Vidyapeetham Amritapuri Campus Clappana Kollam Kerala 690525 India Department of Chemistry Faculty of Science King Khalid University P.O.Box 9004 Abha 61413 Saudi Arabia Research Centre for Intelligent Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan

Background Vanillin is a widely used flavoring agent and plays a crucial role in food safety, making its accurate detection essential. developing sensitive and cost-effective methods for vanillin detection is vital for ensuring food quality and consumer protection. Methods This study introduces a novel sulfur-engineered g-C 3 N 4 /NiFe 2 S 4 nanocomposite synthesized via a simple and scalable method. The composite was employed to modify a glassy carbon electrode (GCE), significantly improving its electrochemical properties. Structural and morphological characterizations confirmed the successful integration of g-C 3 N 4 with NiFe 2 S 4 . differential pulse voltammetry (dPV) was conducted under optimized conditions (ph 7). Significant Findings The modified GCE exhibited a substantially enhanced oxidation peak current for vanillin, indicating superior electrocatalytic activity. The sensor achieved a wide linear detection range (0.01 - 360 µmol l -1 ), a low detection limit (0.00031 µmol l -1 ), and excellent selectivity, stability, repeatability, and reproducibility. Uniquely, the synergy between g-C 3 N 4 and NiFe 2 S 4 provided enhanced charge transfer and surface activity. Application of the sensor to real food samples including ice cream, wafers, and coffee demonstrated accurate recovery and practical feasibility, underscoring its potential as a reliable tool for food safety monitoring in real-world scenarios.

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CCL5 Protects Cortical Neuron Function by Regulating M2 Microglia Activation After Mild Traumatic Brain Injury

SSRN

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SSRN 2022年

作者： Tsai, Yih-Jeng Ho, Man-Hau Yen, Chia-Hung Wang, Jia-Yi Burnouf, Thierry Chen, Chia-Yen Wang, Yun Chiang, Yung-Hsiao Hoffer, Barry J. Chou, Szu-Yi Department of Otolaryngology Head and Neck Surgery Shin Kong Wu HoSu Memorial Hospital Taipei Taiwan School of Medicine Fu Jen Catholic University New Taipei City Taiwan Ph.D. Program in Medical Neuroscience College of Medical Science and Technology Taipei Medical University National Health Research Institute Taiwan Graduate Institute of Neural Regenerative Medicine College of Medical Science and Technology Taipei Medical University Taipei Taiwan Department of Biological Science and Technology National Pingtung University of Science and Technology Neipu Pingtung91201 Taiwan Graduate Institute of Medical Sciences College of Medicine Taipei Medical University Taipei11031 Taiwan Department of Neurosurgery Taipei Medical University Hospital Taipei11031 Taiwan Neuroscience Research Center Taipei Medical University Taipei11031 Taiwan International PhD Program in Biomedical Engineering College of Biomedical Engineering Taipei Medical University Taipei Taiwan Graduate Institute of Biomedical Materials and Tissue Engineering College of Biomedical Engineering Taipei Medical University Taipei Taiwan NeuroTMULille International Laboratory Taipei Medical University Taipei Taiwan International PhD Program in Cell Therapy and Regeneration Medicine College of Medicine Taipei Medical University Taipei Taiwan Brain and Consciousness Research Centre TMU Shuang Ho Hospital New Taipei City Taiwan Center for Neuropsychiatric Research National Health Research Institutes Zhunan Miaoli County Taiwan Department of Surgery School of Medicine College of Medicine Taipei Medical University 11031 Taiwan Department of Neurosurgery Case Western Reserve University School of Medicine ClevelandOH United States Scientist Emeritus National Institutes of Health United States International Master Program in Medical Neuroscience College of Medical Science and Technology Taipei Medical University Taipei Taiwan

Cytokines and chemokines play important roles in inflammation and repair following brain injury. M1 microglia are pro-inflammatory which produce cytokines and lead to neural injury;in contrast, M2 microglia are anti-inflammatory, release neurotrophic factors, and promote neural repair processes. Chemokine CCL5, increased after TBI, shows a neuroprotective function by reducing oxidative stress. CCL5 may contribute to the balance between oxidative stress and immune responses after brain injury. Herein, we investigated the role of CCL5 in microglial polarization after mild traumatic brain injury, focusing on the cerebral cortex.C57BL/6 and CCL5 knockout (CCL5-KO) mice were given a mild traumatic brain injury (TBI) using weight-drop. Neurological parameters such as motor and sensory functions were analyzed by mNSS score, accelerating rotarod, beam walking, and adhesive removal tests. Oxidative stress and neuron damage were measured by NAdph oxidase activity, hypoxyloprobe staining and FJC. Performance of motor and sensory functions in both WT and CCL5-KO mice were impaired after brain injury which recovered after 7 days-post-injury (dpi) in the WT group but only after 14 days in the CCL5-KO mouse group. RT-qPCR analysis revealed that pro-inflammation cytokines - IL-1β, TNF-α, and IL-6 were higher in CCL5-KO mice compared to WT mice at 4 and 14 dpi. In contrast, M2-like microglia markers - IL-10 and Agr-1 were increased in WT mouse cortical tissue at 4 dpi. Oxidative stress increased both M1 and M2- related cytokine expression in BV2 cells treated with H 2 O 2;CCL5 treatment increased M2- but suppressed M1- related cytokine gene activation. Intranasal delivery of CCL5 reduced neuronal oxidative stress, increased IL-10 expression and improved motor and sensory functions in CCL5-KO mice after brain *** summary, CCL5, which alters immune responses and protects neurons from TBI damage, has an important function in regulating M2-like microglial polarization during post-

关键词： Polarization

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Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond

arXiv

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arXiv 2023年

作者： Takaba, Kenichiro Pulido, Iván Behara, Pavan Kumar Cavender, Chapin E. Friedman, Anika J. Henry, Michael M. Macdermott-Opeskin, Hugo Iacovella, Christopher R. Nagle, Arnav M. Payne, Alexander Matthew Shirts, Michael R. Mobley, david L. Chodera, John d. Wang, Yuanqing Computational and Systems Biology Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New YorkNY10065 United States Pharmaceuticals Research Center Advanced Drug Discovery Asahi Kasei Pharma Corporation Shizuoka410-2321 Japan Center for Neurotherapeutics Department of Pathology and Laboratory Medicine University of California IrvineCA92697 United States Skaggs School of Pharmacy and Pharmaceutical Sciences University of California 9500 Gilman Drive La Jolla San DiegoCA92093 United States Department of Chemical and Biological Engineering University of Colorado Boulder BoulderCO80309 United States Open Molecular Software Foundation DavisCA95618 United States Department of Bioengineering University of California Berkeley BerkeleyCA94720 United States Department of Pharmaceutical Sciences University of California IrvineCA92697 United States Tri-Institutional Ph.D. Program in Chemical Biology Memorial Sloan Kettering Cancer Center New YorkNY10065 United States Simons Center for Computational Physical Chemistry Center for Data Science New York University New YorkNY10004 United States

The development of reliable and extensible molecular mechanics (MM) force fields—fast, empirical models characterizing the potential energy surface of molecular systems—is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest. © 2023, CC BY.

关键词： Quantum chemistry

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Targeting the Neuropilin-1 receptor with Ovatodiolide and progress in using periodontal ligament organoids for COVId-19 research and therapy

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Life sciences 2024年 351卷 122764页

作者： Hsieh, Ming-Shou Chen, Ming-Yao Chang, Yu-Sheng Huang, Chin-Sheng Hsu, Tung-Nien Huang, Mao-Suan Yeh, Chi-Tai Tzeng, Yew-Min Department of Otolaryngology School of Medicine College of Medicine Taipei Medical University Taipei City 11031 Taiwan Department of Otolaryngology-Head and Neck Surgery Shuang Ho Hospital Taipei Medical University New Taipei City 23561 Taiwan Division of Gastroenterology and Hepatology Department of Internal Medicine School of Medicine College of Medicine Taipei Medical University Taipei City 110 Taiwan Division of Gastroenterology and Hepatology Department of Internal Medicine Taipei Medical University-Shuang Ho Hospital New Taipei City 235 Taiwan Division of Allergy Immunology and Rheumatology Department of Internal Medicine Shuang Ho Hospital Taipei Medical University New Taipei City 23561 Taiwan Division of Allergy Immunology and Rheumatology Department of Internal Medicine School of Medicine College of Medicine Taipei Medical University Taipei 11031 Taiwan Department of Medical Research & Education Taipei Medical University-Shuang Ho Hospital New Taipei City 23561 Taiwan International Ph.D. Program in Medicine College of Medicine Taipei Medical University Taipei City 11031 Taiwan Continuing Education Program of Food Biotechnology Applications College of Science and Engineering National Taitung University Taitung 95092 Taiwan Department of Applied Science National Taitung University Taitung 95092 Taiwan TMU Research Center for Digestive Medicine Taipei Medical University Taipei 110 Taiwan

The discovery of SARS-CoV-2 RNA in the periodontal tissues of patients who tested positive for COVId-19, 24 days post the initial symptom onset, indicates the oral cavity could serve as a viral reservoir. This research aims to investigate the antiviral capabilities of Ovatodiolide, introducing a novel periodontal ligament organoid model for the study of SARS-CoV-2. We have successfully established a reliable and expandable organoid culture from the human periodontal ligament, showcasing characteristics typical of epithelial stem cells. This organoid model enables us to delve into the lesser-known aspects of dental epithelial stem cell biology and their interactions with viruses and oral tissues. We conducted a series of in vitro and ex vivo studies to examine the inhibitory impacts of Ova on SARS-CoV-2. Our findings indicate that Ovatodiolide molecules can bind effectively to the NRP1 active domain. Our study identifies potential interaction sites for Ovatodiolide (OVA) within the b1 domain of the NRP1 receptor. We generated point mutations at this site, resulting in three variants: Y25A, T44A, and a double mutation Y25A/T44A. While these mutations did not alter the binding activity of the spike protein, they did impact the concentration of OVA required for inhibition. The inhibitory concentrations for these variants are 15 μM for Y25A, 15.2 μM for T44A, and 25 μM for the double mutant Y25A/T44A. In addition, in vitro inhibition experiments demonstrate that the EC50 of Ova against the main protease (Mpro) of the SARS-CoV-2 virus is 7.316 μM. Our in vitro studies and the use of the periodontal ligament organoid model highlight Ovatodiolide's potential as a small molecule therapeutic agent that impedes the virus's ability to bind to the Neuropilin-1 receptor on host cells. The research uncovers various pathways and biochemical strategies through which Ovatodiolide may function as an effective antiviral small molecule drug. © 2024 Elsevier Inc.

关键词： Human Neuropilin-1 Main protease Ovatodiolide Periodontal ligament organoids SARS-CoV-2

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design of an ultrasensitive electrochemical sensor using a carbon black/zinc-organic framework nanocomposite for quantifying quercetin in fruits

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Food Chemistry 2025年

作者： Arunkumar Selvam Meenakumari Gopakumar Gopika Chih-Yu Kuo Kareem Yusuf Beena Saraswathyamma Mani Govindasamy Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei 10608 Taiwan Department of Chemistry Amrita Vishwa Vidyapeetham Amritapuri Campus Clappana P O Kollam Kerala 690525 India High-Value Biomaterials Research and Commercialization Center National Taipei University of Technology Taipei 106 Taiwan Department of Chemistry College of Science King Saud University Riyadh 11451 Saudi Arabia International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan

Quercetin, a potent flavonoid recognized for its antioxidant and anti-inflammatory attributes, is abundantly found in fruits and vegetables, considerably enhancing their health benefits. Monitoring quercetin concentrations in food matrices is crucial for quality assurance, nutritional assessment, and substantiating health claims. We report a unique zinc-based metal–organic framework (Zn-MOF) incorporated with carbon black (CB) to create a highly sensitive electrochemical sensor specifically designed for quercetin detection. The distinctive porous architecture of the Zn-MOF, together with the superior conductivity of carbon black, have a synergistic effect that improves electron transfer. The sensor reports a wide linear range of 0.05–350.9 μM and a lowest detection limit of 3.7 nM. Furthermore, Zn-MOF@CB/GCE demonstrates excellent current retention (95.64 %) over a period of one month, together with commendable repeatability and reproducibility. The real-sample study of the proposed sensor demonstrates an effective recovery range for fruits: apple (95.0–99.0 %), grapes (96.0–98.0 %), and guava (97.0–101.0 %).

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