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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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Applications of engineered biochar in remediation of heavy metal(loid)s pollution from wastewater: Current perspectives toward sustainable development goals

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science of the Total Environment 2024年 926卷 171859页

作者： Tran, Thien-Khanh Huynh, Loan Nguyen, Hoang-Lam Nguyen, Minh-Ky Lin, Chitsan Hoang, Tuan-Dung Hung, Nguyen Tri Q. Nguyen, X. Hoan Chang, S. Woong Nguyen, D. Duc Advanced Applied Sciences Research Group Dong Nai Technology University Bien Hoa City76100 Viet Nam Faculty of Technology Dong Nai Technology University Bien Hoa City76100 Viet Nam Department of Civil Engineering McGill University Montreal Canada Faculty of Environment and Natural Resources Nong Lam University Hamlet 6 Linh Trung Ward Thu Duc City Ho Chi Minh City700000 Viet Nam Ph.D. Program in Maritime Science and Technology National Kaohsiung University of Science and Technology Kaohsiung81157 Taiwan Department of Marine Environmental Engineering National Kaohsiung University of Science and Technology Kaohsiung81157 Taiwan School of Chemistry and Life Science Hanoi University of Science and Technology No. 1 Dai Co Viet Hai Ba Trung Hanoi100000 Viet Nam Vietnam National University Hanoi - School of Interdisciplinary Sciences and Arts 144 Xuan Thuy Street Cau Giay District Hanoi100000 Viet Nam Ho Chi Minh City University of Industry and Trade Ho Chi Minh City Viet Nam Department of Civil & Energy System Engineering Kyonggi University Suwon16227 Korea Republic of Institute of Applied Technology and Sustainable Development Nguyen Tat Thanh University Ho Chi Minh City700000 Viet Nam

Environmental pollution of heavy metal(loid)s (HMs) caused adverse impacts, has become one of the emerging concerns and challenges worldwide. Metal(loid)s can pose significant threats to living organisms even when present in trace levels within environmental matrices. Extended exposure to these substances can lead to adverse health consequences in humans. Removing HM-contaminated water and moving toward sustainable development goals (SDGs) is critical. In this mission, biochar has recently gained attention in the environmental sector as a green and alternative material for wastewater removal. This work provides a comprehensive analysis of the remediation of typical HMs by biochars, associated with an understanding of remediation mechanisms, and gives practical solutions for ecologically sustainable. Applying engineered biochar in various fields, especially with nanoscale biochar-aided wastewater treatment approaches, can eliminate hazardous metal(loid) contaminants, highlighting an environmentally friendly and low-cost method. Surface modification of engineered biochar with nanomaterials is a potential strategy that positively influences its sorption capacity to remove contaminants. The research findings highlighted the biochars' ability to adsorb HM ions based on increased specific surface area (SSA), heightened porosity, and forming inner-sphere complexes with oxygen-rich groups. Utilizing biochar modification emerged as a viable approach for addressing lead (Pb), cadmium (Cd), arsenic (As), mercury (Hg), and chromium (Cr) pollution in aqueous environments. Most biochars investigated demonstrated a removal efficiency >90 % (Cd, As, Hg) and can reach an impressive 99 % (Pb and Cr). Furthermore, biochar and advanced engineered applications are also considered alternative solutions based on the circular economy. © 2024 Elsevier B.V.

关键词： Nanostructured materials

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Structural basis and synergism of ATP and Na⁺ activation in bacterial K⁺ uptake system KtrAB

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Nature Communications 2024年第1期15卷 3850页

作者： Chiang, Wesley Tien Chang, Yao-Kai Hui, Wei-Han Chang, Shu-Wei Liao, Chen-Yi Chang, Yi-Chuan Chen, Chun-Jung Wang, Wei-Chen Lai, Chien-Chen Wang, Chun-Hsiung Luo, Siou-Ying Huang, Ya-Ping Chou, Shan-Ho Horng, Tzyy-Leng Hou, Ming-Hon Muench, Stephen P. Chen, Ren-Shiang Tsai, Ming-Daw Hu, Nien-Jen Graduate Institute of Biochemistry National Chung Hsing University Taichung 402202 Taiwan Institute of Biological Chemistry Academia Sinica Taipei 115201 Taiwan Department of Civil Engineering National Taiwan University Taipei 106319 Taiwan Department of Biomedical Engineering National Taiwan University Taipei 10663 Taiwan Life Science Group Scientific Research Division National Synchrotron Radiation Research Center Hsinchu 30092 Taiwan Institute of Molecular Biology National Chung Hsing University Taichung 402202 Taiwan Graduate Institute of Chinese Medical Science China Medical University Taichung 406040 Taiwan Department of Applied Mathematics Feng Chia University Taichung 407102 Taiwan Institute of Genomics and Bioinformatics National Chung Hsing University Taichung 402202 Taiwan School of Biomedical Sciences Faculty of Biological Sciences and the Astbury Centre for Structural Molecular Biology University of Leeds Leeds LS2 9JT United Kingdom Department of Life Science Tunghai University Taichung 407224 Taiwan Institute of Biochemical Sciences National Taiwan University Taipei 106319 Taiwan Ph.D Program in Translational Medicine National Chung Hsing University Taichung 402202 Taiwan

The K+ uptake system KtrAB is essential for bacterial survival in low K+ environments. The activity of KtrAB is regulated by nucleotides and Na+. Previous studies proposed a putative gating mechanism of KtrB regulated...

The K⁺ uptake system KtrAB is essential for bacterial survival in low K⁺ environments. The activity of KtrAB is regulated by nucleotides and Na⁺. Previous studies proposed a putative gating mechanism of KtrB regulated by KtrA upon binding to ATP or ADP. However, how Na⁺ activates KtrAB and the Na⁺ binding site remain unknown. Here we present the cryo-EM structures of ATP- and ADP-bound KtrAB from Bacillus subtilis (BsKtrAB) both solved at 2.8 Å. A cryo-EM density at the intra-dimer interface of ATP-KtrA was identified as Na⁺, as supported by X-ray crystallography and ICP-MS. Thermostability assays and functional studies demonstrated that Na⁺ binding stabilizes the ATP-bound BsKtrAB complex and enhances its K⁺ flux activity. Comparing ATP- and ADP-BsKtrAB structures suggests that BsKtrB Arg417 and Phe91 serve as a channel gate. The synergism of ATP and Na⁺ in activating BsKtrAB is likely applicable to Na⁺-activated K⁺ channels in central nervous system. © The Author(s) 2024.

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Technology Roadmap for Flexible Sensors

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ACS NANO 2023年第6期17卷 5211-5295页

作者： Luo, Yifei Abidian, Mohammad Reza Ahn, Jong-Hyun Akinwande, Deji Andrews, Anne M. Antonietti, Markus Bao, Zhenan Berggren, Magnus Berkey, Christopher A. Bettinger, Christopher John Chen, Jun Chen, Peng Cheng, Wenlong Cheng, Xu Choi, Seon-Jin Chortos, Alex Dagdeviren, Canan Dauskardt, Reinhold H. Di, Chong-an Dickey, Michael D. Duan, Xiangfeng Facchetti, Antonio Fan, Zhiyong Fang, Yin Feng, Jianyou Feng, Xue Gao, Huajian Gao, Wei Gong, Xiwen Guo, Chuan Fei Guo, Xiaojun Hartel, Martin C. He, Zihan Ho, John S. Hu, Youfan Huang, Qiyao Huang, Yu Huo, Fengwei Hussain, Muhammad M. Javey, Ali Jeong, Unyong Jiang, Chen Jiang, Xingyu Kang, Jiheong Karnaushenko, Daniil Khademhosseini, Ali Kim, Dae-Hyeong Kim, Il-Doo Kireev, Dmitry Kong, Lingxuan Lee, Chengkuo Lee, Nae-Eung Lee, Pooi See Lee, Tae-Woo Li, Fengyu Li, Jinxing Liang, Cuiyuan Lim, Chwee Teck Lin, Yuanjing Lipomi, Darren J. Liu, Jia Liu, Kai Liu, Nan Liu, Ren Liu, Yuxin Liu, Yuxuan Liu, Zhiyuan Liu, Zhuangjian Loh, Xian Jun Lu, Nanshu Lv, Zhisheng Magdassi, Shlomo Malliaras, George G. Matsuhisa, Naoji Nathan, Arokia Niu, Simiao Pan, Jieming Pang, Changhyun Pei, Qibing Peng, Huisheng Qi, Dianpeng Ren, Huaying Rogers, John A. Rowe, Aaron Schmidt, Oliver G. Sekitani, Tsuyoshi Seo, Dae-Gyo Shen, Guozhen Sheng, Xing Shi, Qiongfeng Someya, Takao Song, Yanlin Stavrinidou, Eleni Su, Meng Sun, Xuemei Takei, Kuniharu Tao, Xiao-Ming Tee, Benjamin C. K. Thean, Aaron Voon-Yew Trung, Tran Quang Wan, Changjin Wang, Huiliang Wang, Joseph Wang, Ming Wang, Sihong Wang, Ting Wang, Zhong Lin Weiss, Paul S. Wen, Hanqi Xu, Sheng Xu, Tailin Yan, Hongping Yan, Xuzhou Yang, Hui Yang, Le Yang, Shuaijian Yin, Lan Yu, Cunjiang Yu, Guihua Yu, Jing Yu, Shu-Hong Yu, Xinge Zamburg, Evgeny Zhang, Haixia Zhang, Xiangyu Zhang, Xiaosheng Zhang, Xueji Zhang, Yihui Zhang, Yu Zhao, Siyuan Zhao, Xuanhe Zheng, Yuanjin Zheng, Yu-Qing Zheng, Zijian Zhou, Tao Zhu, Bowen Zhu, Ming Zhu, Rong Zhu, Yangzhi Zhu, Yong Zou, Guijin Chen, Xiaodong 08-03 Innovis Singapore 138634 Republic of Singapore Innovative Centre for Flexible Devices (iFLEX) School of Materials Science and Engineering Nanyang Technological University Singapore 639798 Singapore Department of Biomedical Engineering University of Houston Houston Texas 77024 United States School of Electrical and Electronic Engineering Yonsei University Seoul 03722 Republic of Korea Department of Electrical and Computer Engineering The University of Texas at Austin Austin Texas 78712 United States Microelectronics Research Center The University of Texas at Austin Austin Texas 78758 United States Department of Chemistry and Biochemistry California NanoSystems Institute and Department of Psychiatry and Biobehavioral Sciences Semel Institute for Neuroscience and Human Behavior and Hatos Center for Neuropharmacology University of California Los Angeles Los Angeles California 90095 United States Colloid Chemistry Department Max Planck Institute of Colloids and Interfaces 14476 Potsdam Germany Department of Chemical Engineering Stanford University Stanford California 94305 United States Laboratory of Organic Electronics Department of Science and Technology Campus Norrköping Linköping University 83 Linköping Sweden Wallenberg Initiative Materials Science for Sustainability (WISE) and Wallenberg Wood Science Center (WWSC) SE-100 44 Stockholm Sweden Department of Materials Science and Engineering Stanford University Stanford California 94301 United States Department of Biomedical Engineering and Department of Materials Science and Engineering Carnegie Mellon University Pittsburgh Pennsylvania 15213 United States Department of Bioengineering University of California Los Angeles Los Angeles California 90095 United States School of Chemistry Chemical Engineering and Biotechnology Nanyang Technological University Singapore 637457 Singapore Nanobionics Group Department of Chemical and Biological Engineering Monash University Clayton Australia 3800 Monash

Humans rely increasingly on sensors to address grand challenges and to improve quality of life in the era of digitalization and big data. For ubiquitous sensing, flexible sensors are developed to overcome the limitations of conventional rigid counterparts. Despite rapid advancement in bench-side research over the last decade, the market adoption of flexible sensors remains limited. To ease and to expedite their deployment, here, we identify bottlenecks hindering the maturation of flexible sensors and propose promising solutions. We first analyze continued...challenges in achieving satisfactory sensing performance for real-world applications and then summarize issues in compatible sensor-biology interfaces, followed by brief discussions on powering and connecting sensor networks. Issues en route to commercialization and for sustainable growth of the sector are also analyzed, highlighting environmental concerns and emphasizing nontechnical issues such as business, regulatory, and ethical considerations. Additionally, we look at future intelligent flexible sensors. In proposing a comprehensive roadmap, we hope to steer research efforts towards common goals and to guide coordinated development strategies from disparate communities. Through such collaborative

关键词： soft materials mechanics engineering flexible electronics conformable sensors bioelectronics human-machine interfaces body area sensor networks technology translation sustainable electronics

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Retraction notice to "Green synthesis of silver nanoparticles from Cassia Auriculata: Targeting antibacterial, antioxidant activity, and evaluation of their possible effects on saltwater microcrustacean, Artemia Nauplii (non-target organism)" [Sci. Total Environ. 861(2023) 160575]

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The science of the total environment 2024年 957卷 177726页

作者： Chinnaperumal Kamaraj Chinnasamy Ragavendran Kumar Manimaran Sabarathinam Sarvesh Abu Reza Md Towfiqul Islam Guilherme Malafaia Interdisciplinary Institute of Indian System of Medicine (IIISM) Directorate of Research SRM Institute of Science and Technology (SRMIST) Kattankulathur 603203 Tamil Nadu India. Department of Conservative Dentistry and Endodontics Saveetha Dental College and Hospitals Saveetha Institute of Medical and Technical Sciences (SIMATS) Chennai 600077 India. Department of Botany School of Life Sciences Periyar University Periyar Palkalai Nagar Salem 636011 Tamil Naddu India. Department of Disaster Management Begum Rokeya University Rangpur 5400 Bangladesh. Laboratory of Toxicology Applied to the Environment Goiano Federal Institute Urutaí GO Brazil Post-Graduation Program in Conservation of Cerrado Natural Resources Goiano Federal Institute Urutaí GO Brazil Post-Graduation Program in Ecology Conservation and Biodiversity Federal University of Uberlândia Uberlândia MG Brazil Post-Graduation Program in Biotechnology and Biodiversity Federal University of Goiás Goiânia GO Brazil.

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Emerging contaminants:A One Health perspective

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The Innovation 2024年第4期5卷 140-170,139页

作者： Fang Wang Leilei Xiang Kelvin Sze-Yin Leung Martin Elsner Ying Zhang Yuming Guo Bo Pan Hongwen Sun Taicheng An Guangguo Ying Bryan WBrooks Deyi Hou Damian EHelbling Jianqiang Sun Hao Qiu Timothy MVogel Wei Zhang Yanzheng Gao Myrna JSimpson Yi Luo Scott XChang Guanyong Su Bryan MWong Tzung-May Fu Dong Zhu Karl JJobst Chengjun Ge Frederic Coulon Jean Damascene Harindintwali Xiankui Zeng Haijun Wang Yuhao Fu Zhong Wei Rainer Lohmann Changer Chen Yang Song Concepcion Sanchez-Cid Yu Wang Ali El-Naggar Yiming Yao Yanran Huang Japhet Cheuk-Fung Law Chenggang Gu Huizhong Shen Yanpeng Gao Chao Qin Hao Li Tong Zhang Natàlia Corcoll Min Liu Daniel SAlessi Hui Li Kristian KBrandt Yolanda Pico Cheng Gu Jianhua Guo Jianqiang Su Philippe Corvini Mao Ye Teresa Rocha-Santos Huan He Yi Yang Meiping Tong Weina Zhang Fidèle Suanon Ferdi Brahushi Zhenyu Wang Syed AHashsham Marko Virta Qingbin Yuan Gaofei Jiang Louis A.Tremblay Qingwei Bu Jichun Wu Willie Peijnenburg Edward Topp Xinde Cao Xin Jiang Minghui Zheng Taolin Zhang Yongming Luo Lizhong Zhu Xiangdong Li DamiàBarceló Jianmin Chen Baoshan Xing Wulf Amelung Zongwei Cai Ravi Naidu Qirong Shen Janusz Pawliszyn Yong-guan Zhu Andreas Schaeffer Matthias C.Rillig Fengchang Wu Gang Yu James M.Tiedje State Key Laboratory of Soil and Sustainable Agriculture Institute of Soil ScienceChinese Academy of SciencesNanjing 210008China University of Chinese Academy of Sciences Beijing 100049China Department of Chemistry Hong Kong Baptist UniversityHong KongChina HKBU Institute of Research and Continuing Education Shenzhen Virtual University ParkShenzhenChina Technical University of Munich TUM School of Natural SciencesInstitute of Hydrochemistry85748 GarchingGermany School of Resources&Environment Northeast Agricultural UniversityHarbin 150030China Climate Air Quality Research UnitSchool of Public Health and Preventive MedicineMonash UniversityMelbourneVICAustralia Faculty of Environmental Science&Engineering Kunming University of Science&TechnologyKunming 650500China Ministry of Education Key Laboratory of Pollution Processes and Environmental Criteria College of Environmental Science and EngineeringNankai UniversityTianjin 300350China Guangdong Key Laboratory of Environmental Catalysis and Health Risk Control School of Environmental Science and EngineeringInstitute of Environmental Health and Pollution ControlGuangdong University of TechnologyGuangzhou 510006China Ministry of Education Key Laboratory of Environmental Theoretical Chemistry South China Normal UniversityGuangzhouGuangdong 510006China Department of Environmental Science Baylor UniversityWacoTXUSA Center for Reservoir and Aquatic Systems Research(CRASR) Baylor UniversityWacoTXUSA School of Environment Tsinghua UniversityBeijing 100084China School of Civil and Environmental Engineering Cornell UniversityIthacaNY 14853USA Key Laboratory of Microbial Technology for Industrial Pollution Control of Zhejiang Province Zhejiang University of TechnologyHangzhou 310014China School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China Laboratoire d’Ecologie Microbienne Universite Claude Bernard Lyon 1UMR CNRS 5557UMR INRAE 1418VetAgro Sup69622 VilleurbanneFrance Department of Pla

Environmental pollution is escalating due to rapid global development that often prioritizes human needs over planetary *** global efforts to mitigate legacy pollutants,the continuous introduction of new substances remains a major threat to both people and the *** response,global initiatives are focusing on risk assessment and regulation of emerging contaminants,as demonstrated by the ongoing efforts to establish the UN’s Intergovernmental science-Policy Panel on Chemicals,Waste,and Pollution *** review identifies the sources and impacts of emerging contaminants on planetary health,emphasizing the importance of adopting a One Health *** for monitoring and addressing these pollutants are discussed,underscoring the need for robust and socially equitable environmental policies at both regional and international *** actions are needed to transition toward sustainable pollution management practices to safeguard our planet for future generations.

关键词： pollution planet contaminants

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Retraction notice to ‘Applications of engineered biochar in remediation of heavy metal(loid)s pollution from wastewater: Current perspectives toward sustainable development goals’ [Sci. Total Environ., 926 (2024) 171859] (science of the Total Environment (2024) 926, (S0048969724020023), (10.1016/***.2024.171859))

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science of the Total Environment 2025年 976卷 179291页

This article has been retracted: please see Elsevier Policy on Article Withdrawal (https://***/about/policies/article-withdrawal). This article has been retracted at the request of the Authors. The corresponding author approached the journal to make it aware that significant portions of the text of the STOTEN article had already been included in the following publication involving several members of the same authorship group: Minh-Ky Nguyen, Chitsan Lin, Nguyen Tri Quang Hung, Hoang-Lam Nguyen, Hong-Giang Hoang, Huu-Tuan Tran, Mohammed Hadi, Chapter 8 - Biochar and engineering applications in remediation of heavy metal pollutants from wastewater toward sustainable development, Editor(s): Xuan-Thanh Bui, Ashok Pandey, Thanh-Tin Nguyen, Shu-Yuan Pan, Low Cost Water and Wastewater Treatment Systems: Conventional and Recent Advances, Elsevier, 2025, Pages 195-233, ISBN 9780443236624, https://***/10.1016/B978-0-443-23662-4.00016-0. The authors realise that redundant publications overweigh the relative importance of published findings, and therefore requested the retraction of the STOTEN article. The authors also apologies for any inconvenience caused. © 2025 Elsevier B.V.

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DeePMD-kit v2: A software package for Deep Potential models

arXiv

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arXiv 2023年

作者： Zeng, Jinzhe Zhang, Duo Lu, Denghui Mo, Pinghui Li, Zeyu Chen, Yixiao Rynik, Marián Huang, Li'ang Li, Ziyao Shi, Shaochen Wang, Yingze Ye, Haotian Tuo, Ping Yang, Jiabin Ding, Ye Li, Yifan Tisi, Davide Zeng, Qiyu Bao, Han Xia, Yu Huang, Jiameng Muraoka, Koki Wang, Yibo Chang, Junhan Yuan, Fengbo Bore, Sigbjørn Løland Cai, Chun Lin, Yinnian Wang, Bo Xu, Jiayan Zhu, Jia-Xin Luo, Chenxing Zhang, Yuzhi Goodall, Rhys E.A. Liang, Wenshuo Singh, Anurag Kumar Yao, Sikai Zhang, Jingchao Wentzcovitch, Renata Han, Jiequn Liu, Jie Jia, Weile York, Darrin M. Weinan, E. Car, Roberto Zhang, Linfeng Wang, Han Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China HEDPS CAPT College of Engineering Peking University Beijing100871 China College of Electrical and Information Engineering Hunan University Changsha China Yuanpei College Peking University Beijing100871 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ08540 United States Department of Experimental Physics Comenius University Mlynská Dolina F2 Bratislava842 48 Slovakia Center for Quantum Information Institute for Interdisciplinary Information Sciences Tsinghua University Beijing100084 China Center for Data Science Peking University Beijing100871 China ByteDance Research Zhonghang Plaza No. 43 North 3rd Ring West Road Haidian District Beijing China College of Chemistry and Molecular Engineering Peking University Beijing100871 China Baidu Inc. Beijing China Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University Zhejiang Hangzhou China Westlake AI Therapeutics Lab Westlake Laboratory of Life Sciences and Biomedicine Zhejiang Hangzhou China Department of Chemistry Princeton University PrincetonNJ08544 United States SISSA Scuola Internazionale Superiore di Studi Avanzati Trieste34136 Italy Laboratory of Computational Science and Modeling Institute of Materials École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Department of Physics National University of Defense Technology Hunan Changsha410073 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing China University of Chinese Academy of Sciences Beijing China School of Electronics Engineerin

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, Deep Potential - Range Correction (DPRc), Deep Potential Long Range (DPLR), GPU support for customized operators, model compression, non-von Neumann molecular dynamics (NVNMD), and improved usability, including documentation, compiled binary packages, graphical user interfaces (GUI), and application programming interfaces (API). This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, the article benchmarks the accuracy and efficiency of different models and discusses ongoing developments. © 2023, CC BY-NC-ND.

关键词： Molecular dynamics

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Green synthesis of silver nanoparticles from Cassia Auriculata: Targeting antibacterial, antioxidant activity, and evaluation of their possible effects on saltwater microcrustacean, Artemia Nauplii (non-target organism)

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The science of the total environment 2023年 861卷 160575页

作者： Chinnaperumal Kamaraj Chinnasamy Ragavendran Kumar Manimaran Sabarathinam Sarvesh Abu Reza Md Towfiqul Islam Guilherme Malafaia Interdisciplinary Institute of Indian System of Medicine (IIISM) Directorate of Research SRM Institute of Science and Technology (SRMIST) Kattankulathur 603203 Tamil Nadu India. Electronic address: kamarajc@srmist.edu.in. Department of Conservative Dentistry and Endodontics Saveetha Dental College and Hospitals Saveetha Institute of Medical and Technical Sciences (SIMATS) Chennai 600077 India. Department of Botany School of Life Sciences Periyar University Periyar Palkalai Nagar Salem 636011 Tamil Naddu India. Interdisciplinary Institute of Indian System of Medicine (IIISM) Directorate of Research SRM Institute of Science and Technology (SRMIST) Kattankulathur 603203 Tamil Nadu India. Department of Disaster Management Begum Rokeya University Rangpur 5400 Bangladesh. Electronic address: towfiq_dm@brur.ac.bd. Laboratory of Toxicology Applied to the Environment Goiano Federal Institute Urutaí GO Brazil Post-Graduation Program in Conservation of Cerrado Natural Resources Goiano Federal Institute Urutaí GO Brazil Post-Graduation Program in Ecology Conservation and Biodiversity Federal University of Uberlândia Uberlândia MG Brazil Post-Graduation Program in Biotechnology and Biodiversity Federal University of Goiás Goiânia GO Brazil. Electronic address: guilhermeifgoiano@***.

Due to their huge surface area to volume ratio, metallic nanoparticles are becoming increasingly important in numerous spheres of life. Here, initially, we aimed to evaluate the potential use of Cassia auriculata (CA) extract to synthesize silver nanoparticles (AgNPs). Then, we evaluated its antimicrobial potential and antioxidant capacity, as well as performed in silico analysis, and investigated the possible non-toxic effect of AgNPs on Artemia nauplii. Fourier transform infrared (FTIR) spectroscopy, scanning and transmission electron microscopy (SEM/TEM), energy dispersive spectroscopy (EDX), X-ray diffraction (XRD), and dynamic light scattering (DLS) studies were used to characterize the biosynthesized AgNPs. Our data indicate that Bacillus cereus, Escherichia coli, Klebsiella pneumoniae, and Staphylococcus aureus bacteria were susceptible to the biosynthesized AgNPs, whose effect was concentration-response. With a ZOI of 10 mm, the AgNPs were most efficient against gram-positive B. cereus bacteria at the highest concentration (75 μg/mL). The biosynthesized AgNPs (at 25 to 125 μg/mL) showed good antioxidant activity in the DPPH (2,2-diphenyl-1-picryl-hydrazyl-hydrate) and FRAP (ferric reducing antioxidant power) assays. Oleanolic acid from CA exhibited strong binding affinity and high binding energy to E. coli and B. cereus (-9.66 and - 9.74 kcal/mol) on in silico research. According to the comparative non-toxicity analysis, AgNPs, AgNO, and CA bark extract had the least toxic effects on A. nauplii, with respective mortality rates of 28.14, 32.26, and 38.42 %, respectively. In conclusion, the current work showed that AgNPs produced from CA bark could be a promising material for diverse applications.

关键词： AgNPs Antibacterial Antioxidant Cassia auriculata Green nanosynthesis In silico Non-toxic

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Harnessing microalgae to mitigate the environmental impact of the cement industry: Emission reduction and bio-cement production

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Carbon Capture science & Technology 2025年 16卷

作者： Ve Van Le Maranda Esterhuizen Quynh-Giao Tran Jin-Ho Yun Man-Young Jung Sang-Ah Lee Faculty of Biotechnology College of Applied Life Sciences Jeju National University 102 Jejudaehak-Ro Jeju 63243 South Korea University of Helsinki Ecosystems and Environment Research Programme Faculty of Biological and Environmental Sciences Niemenkatu 73 Lahti 15140 Finland Cell factory Research Centre Korea Research Institute of Bioscience & Biotechnology 125 Gwahak-ro Yuseong-gu Daejeon 34141 South Korea Department of Environmental Biotechnology KRIBB School of Biotechnology University of Science & Technology Daejeon 34113 South Korea Department of Integrative Biotechnology Sungkyunkwan University Suwon 16419 South Korea Interdisciplinary Graduate Program in Advance Convergence Technology and Science Jeju National University 102 Jejudaehak-ro Jeju 63243 South Korea Bio-Health Materials Core-Facility Center Jeju National University 102 Jejudaehak-ro Jeju 63243 South Korea Department of Biology Education Jeju National University Jeju 63243 South Korea

The cement industry has been the cornerstone of economic development since the Industrial Revolution. However, the calcination process used to produce cement raw materials releases various pollutants, such as carbon dioxide, nitrogen oxides, and sulfur oxides, which are key contributors to global warming. Therefore, innovative technologies are urgently needed to minimize the environmental impact of the cement industry. In recent years, microalgae have gained attention because of their advantages in recovering resources and reducing the impacts of industrial pollutants. The use of microalgae to address the environmental challenges associated with cement production remains largely overlooked in current reviews. This review summarizes the recent advances in the utilization of microalgae to address the environmental challenges posed by the cement industry. Microalgae offer two main pathways for environmental mitigation: the (i) production of bio-cement as an eco-friendly alternative for construction and (ii) conversion of cement flue gases into biomass feedstock with high-value downstream applications. We also identify existing challenges and propose an integrative “Microalgae–Bacteria Consortium” system as a sustainable strategy for the significant reduction of the environmental footprint of cement production. This approach has the potential to transform the cement industry into a more sustainable and eco-friendlier sector. Overall, microalgae provide an innovative and sustainable platform to revolutionize the cement industry into a greener sector, supporting the global shift toward a low-carbon, circular economy.

关键词： Microalgae–bacteria consortium Microalgae Cement calcination Bio-cement Flue gas Sustainable construction Greenhouse gas

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