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Catalysis-Induced Highly-Stable Interface on Porous Silicon for High-Rate Lithium-Ion Batteries

Nano-Micro Letters 2025年第8期17卷 548-563页

作者： Zhuobin Han Phornphimon Maitarad Nuttapon Yodsin Baogang Zhao Haoyu Ma Kexin Liu Yongfeng Hu Siriporn Jungsuttiwong Yumei Wang Li Lu Liyi Shi Shuai Yuan Yongyao Xia Yingying Lv Research Centre of Nanoscience and Nanotechnology Shanghai UniversityShanghai 200444People’s Republic of China Department of Chemistry Faculty of ScienceSilpakorn UniversityNakhon Pathom 73000Thailand Sinopec Shanghai Research Institute of Petrochemical Technology Co. Ltd.Shanghai 201208People’s Republic of China Department of Chemistry and Center of Excellence for Innovation in Chemistry Faculty of Science Ubon Ratchathani UniversityUbon Ratchathani 34190Thailand National University of Singapore(Chongqing)Research Institute Chongqing 401123People’s Republic of China Department of Chemistry Fudan UniversityShanghai 200433People’s Republic of China Emerging Industries Institute Shanghai University Jiaxing 314006ZhejiangPeople’s Republic of China Program in Bioinformatics and Computational Biology Graduate SchoolChulalongkorn UniversityBangkok 10330Thailand

Silicon stands as a key anode material in lithium-ion battery ascribing to its high energy ***,the poor rate performance and limited cycling life remain unresolved through conventional approaches that involve carbon composites or nanostructures,primarily due to the un-controllable effects arising from the substantial formation of a solid electrolyte interphase(SEI)during the ***,an ultra-thin and homogeneous Ti doping alumina oxide catalytic interface is meticulously applied on the porous Si through a synergistic etching and hydrolysis *** defect-rich oxide interface promotes a selective adsorption of fluoroethylene carbonate,leading to a catalytic reaction that can be aptly described as“molecular concentration-in situ conversion”.The resultant inorganic-rich SEI layer is electrochemical stable and favors ion-transport,particularly at high-rate cycling and high *** robustly shielded porous Si,with a large surface area,achieves a high initial Coulombic efficiency of 84.7%and delivers exceptional high-rate performance at 25 A g^(−1)(692 mAh g^(−1))and a high Coulombic efficiency of 99.7%over 1000 *** robust SEI constructed through a precious catalytic layer promises significant advantages for the fast development of silicon-based anode in fast-charging batteries.

关键词： Catalytic interface Mesoporous Inorganic-rich SEI Silicon anode Lithium-ion batteries

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A Three-Dimensional computational Model of the Innate Immune System 1

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12th International Conference on computational science and Its Applications (ICCSA)

作者： Rocha, Pedro Augusto F. Xavier, Micael P. Pigozzo, Alexandre B. Quintela, Barbara de M. Macedo, Gilson C. dos Santos, Rodrigo Weber Lobosco, Marcelo Graduate Program in Computational Modelling UFJF Juiz de Fora MG Brazil Graduate Program in Biological Science UFJF Juiz de Fora MG Brazil

ISBN: (数字)9783642311253

ISBN: (纸本)9783642311246;9783642311253

The Human Immune System is a complex system responsible for protecting the organism against diseases. Although understanding how it works is essential to develop better treatments against diseases, its complexity makes this task extremely hard. In this work a three-dimensional mathematical and computational model of part of this system, the innate immune system, is presented. The high computational costs associated to simulations lead the development of a parallel version of the code, which has achieved a speedup of about 72 times over its sequential counterpart.

关键词： Immune system

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Biomedical data and AI

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science China Life sciences 2025年第5期68卷 1536-1540页

作者： Hao Xu Shibo Zhou Zefeng Zhu Vincenzo Vitelli Liangyi Chen Ziwei Dai Ning Yang Luhua Lai Shengyong Yang Sergey Ovchinnikov Zhuoran Qiao Sirui Liu Chen Song Jianfeng Pei Han Wen Jianfeng Feng Yaoyao Zhang Zhengwei Xie Yang-Yu Liu Zhiyuan Li Fulai Jin Hao Li Mohammad Lotfollahi Xuegong Zhang Ge Yang Shihua Zhang Ge Gao Pulin Li Qi Liu Jing-Dong Jackie Han Peking-Tsinghua Center for Life Sciences (CLS) Academy for Advanced Interdisciplinary StudiesPeking University Center for Quantitative Biology (CQB) Academy for Advanced Interdisciplinary StudiesPeking University Peking University-Tsinghua University-National Institute of Biological Sciences Joint Graduate Program Academy for Advanced Interdisciplinary StudiesPeking University Department of Physics University of Chicago School of Life Sciences Southern University of Science and Technology Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies College of Chemistry and Molecular Engineering Peking University Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan University Department of Biology Massachusetts Institute of Technology Lambic Therapeutics Inc. Changping Laboratory Al for Science Institute Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan University Department of Obstetrics and Gynecology West China Second University HospitalSichuan University Peking University International Cancer Institute and Peking University-Yunnan Baiyao International Medical Institute and State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking University Health Science CenterPeking University Channing Division of Network Medicine Department of MedicineBrigham and Women's Hospital and Harvard Medical School Center for Artificial Intelligence and Modeling the Carl R.Woese Institute for Genomic BiologyUniversity of Illinois Urbana-Champaign Department of Genetics and Genome Sciences School of Medicine and Department of Computer and Data Sciences and Department of Population and Quantitative Health SciencesCase Western Reserve University Department of Biochemistry and Biophysics University of California Sanger Institute Department of Automation Tsinghua University State Key Laboratory of Multimodal Artificial Intelligence Systems I

The development of artificial intelligence(AI) and the mining of biomedical data complement each other. From the direct use of computer vision results to analyze medical images for disease screening, to now integrating biological knowledge into models and even accelerating the development of new AI based on biological discoveries, the boundaries of both are constantly expanding, and their connections are becoming closer.

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Structural optimization and biological evaluation of indolin-2-one derivatives as novel CDK8 inhibitors for idiopathic pulmonary fibrosis

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Biomedicine and Pharmacotherapy 2025年 184卷 117891-117891页

作者： Hsu, Jui-Yi Hsu, Kai-Cheng Chou, Ching-Hsuan He, Tzu-Ying Lin, Tony Eight Sung, Tzu-Ying Yen, Shih-Chung Hsieh, Jui-Hua Yang, Chia-Ron Huang, Wei-Jan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University and Academia Sinica Taipei Taiwan Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program in Drug Discovery and Development Industry College of Pharmacy Taipei Medical University Taipei Taiwan TMU Research Center of Cancer Translational Medicine Taipei Medical University Taipei Taiwan Cancer Center Wan Fang Hospital Taipei Medical University Taipei Taiwan School of Pharmacy College of Medicine National Taiwan University Taipei Taiwan Warshel Institute for Computational Biology School of Medicine The Chinese University of Hong Kong (Shenzhen) Shenzhen China Division of Translational Toxicology National Institute of Environmental Health Sciences National Institutes of Health Durham NC United States School of Pharmacy Taipei Medical University Taipei Taiwan

Cyclin-dependent kinase 8 (CDK8) plays a crucial role in the transforming growth factor beta (TGF-β) signaling pathway, which is critical to the pathology of idiopathic pulmonary fibrosis (IPF). CDK8 promotes the epithelial-mesenchymal transition (EMT) and excessive extracellular matrix (ECM) deposition, making it a promising target for IPF treatment. This study focused on optimizing F059–1017, a previously identified CDK8 inhibitor, to enhance its potency. Through integrated structure-based modifications, a series of compounds was synthesized, and their inhibitory effects on CDK8 were tested. Results indicated that substituting with cyclopentanone significantly improved the inhibitory activity, and compound 4j demonstrated the best potency (IC₅₀ = 16 nM). Notably, compared to F059–1017, its potency increased 35-fold, and kinase profiling revealed that the compound was selective for CDK8. Compound 4j inhibited the TGF-β1-induced EMT, cell migration, and morphological changes in A549 cells at a concentration of 0.1 μM and inhibited ECM and EMT protein expressions. In addition, the compound blocked TGF-β1-induced transcriptional changes and inhibited Smad3 and RNA polymerase II phosphorylation. These results highlight the potential of the optimized CDK8 inhibitor as a prospective drug for IPF treatment. © 2025 The Authors

关键词： Cyclin-dependent protein kinase 8 Epithelial-mesenchymal transition Indolin-2-one, Idiopathic pulmonary fibrosis Structural optimization Transforming growth factor beta

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On the Usage and Application of Artificial Intelligence to Foster the 4th Industrial Revolution

On the Usage and Application of Artificial Intelligence to F...

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第六届中巴科学计算会议

作者： Erick Giovani Sperandio Nascimento Luan Rios Campos Lucas Vilas Boas Alves Wenisten José Dantas da Silva Davidson Martins Moreira Post Graduate Program on Computational Modelling and Industrial Technology SENAI CIMATEC

The goal of this study is to present three different cases of using artificial intelligence to address challenges in the industry, aiming to foster the 4th industrial revolution. Fully convolutional networks (FCN), multilayer perceptron (MLP) and convolutional neural networks (CNN) were used, respectively, for estimating initial velocity models for oil and gas exploration, predicting the concentration of

关键词： On the Usage and Application of Artificial Intelligence to Foster the 4th Industrial Revolution

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B(s)→D(s)(*)M decays in the presence of final-state interactions

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Physical Review D 2025年第9期111卷 095020-095020页

作者： Albertus Hariwangsa Panuluh Satoshi Tanaka Hiroyuki Umeeda Department of Physics Education Faculty of Teacher Training and Education Sanata Dharma University Paingan Maguwohardjo Sleman Yogyakarta 55282 Indonesia Physics Program Graduate School of Advanced Science and Engineering Hiroshima University 1-3-1 Kagamiyama Higashi-Hiroshima 739-8526 Japan Scientific Computational Division Nippon Advanced Information Service (NAIS Co. Inc.) 416 Muramatsu Tokaimura Naka-gun Ibaraki 319-1112 Japan Center for Theoretical Physics and College of Physics Jilin University Changchun 130012 China China Center of Advanced Science and Technology Beijing 100190 China Institute of High Energy Physics Chinese Academy of Sciences Beijing 100049 China

In light of the recent data for B¯(s)→D(s)(*)P and B¯(s)→D(s)V decays, we perform a model-independent phenomenological analysis in the presence of quasielastic rescattering. With the Wilson coefficients including contributions beyond the standard model, the lifetimes of the B meson and Bd0−B¯d0 mixing are investigated to clarify correlations among the observables. We show that parameter regions for quasielastic rescattering, the size of color-suppressed tree amplitudes, and new physics are constrained due to the lifetime data. As a consequence, it is revealed that this scenario can be tested by the future LHCb measurement of the width difference in Bd0−B¯d0 mixing and semileptonic CP asymmetry.

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Development of an Application to Assess Quality of Life 27th

Development of an Application to Assess Quality of Life

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27th Brazilian Congress on Biomedical Engineering, CBEB 2020

作者： Oliveira, D.S. Santos, W.S. Ribeiro, L.M. Oliveira, G.S. Magalhães, D.S.F. Frade-Barros, A.F. Brazil University Bioengineering Department Rua A 208 Novo Jaçanã São Paulo Itabuna-Bahia Brazil Nutrition Department UniFTC Itabuna Brazil Graduate Program in Computational Modelling in Science and Technology State University of Santa Cruz Ilhéus Brazil

ISBN: (纸本)9783030706005

Quality of life (QOL) is how the individual perceives himself as having an impact on his physical-emotional integrity, functional capacity, and self-esteem. Quality of life assessment tools can be generic or specific. Generics evaluate various aspects of quality of life and health status, and can be useful for patients, regardless of disease or condition, and can also be used for healthy individuals. The Medical questionnaire Outcomes Study 36 (SF-36) is one of the main instruments used to assess the health-related quality of life. This study aimed to develop the first application software (APP) for assessing the quality of life in Portuguese. This is an experimental study, of analytical, observational, and transversal nature that seeks associations or correlations between variables of interest. The application was developed on the Unity Engine to facilitate port for Android and its graphical interface. The Sarcvida app contemplates the SF-36 questionnaire and the SARC-F+CC. The application has undergone structural and functional tests and the next step is the evaluation of the app by health professionals. Sarcvida app is composed of SF-36 QOL questionnaire, SARC-F+CC, and D-score. The application proved to be functional, corresponding to initial research expectations for the project. The app presented usability and functionality for the evaluation of QOL in the tests to which it has been submitted so far. In Brazil there are no applications composed of SF-36 QOL questionnaire, SARC-F+CC, and the D-score, therefore, this study is innovative, presenting the first Portuguese version available in the app. Besides, mobile technology developed here is a tool to help monitor patients by contributing health professionals in possible interventions for health promotion. © 2022, Springer Nature Switzerland AG.

关键词： Application programs

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Bridging Accuracy and Efficiency: The Role of PINNs in Immune Response Simulations

Bridging Accuracy and Efficiency: The Role of PINNs in Immun...

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2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024

作者： Fernandes, Thiago E. Dos Santos, Rodrigo W. Lobosco, Marcelo Federal University of Juiz de Fora Graduate Program on Computational Modelling Juiz de Fora Brazil Federal University of Juiz de Fora Institute of Exact Sciences Department of Computer Science Juiz de Fora Brazil

ISBN: (纸本)9798350386226

Myocarditis, characterized by inflammation of the heart muscle, has seen a notable 62.2% increase in incidence over the past three decades, leading to 324,490 deaths in 2019. Despite advancements in understanding its etiology, several critical questions remain unresolved, highlighting the need for improved patient treatment strategies. computational methods play a crucial role in unraveling the complex interactions between pathogens and the immune system. This study explores the use of Physics-Informed Neural Networks (PINNs) to accelerate a newly developed model for myocardial edema formation in acute infectious myocarditis. The model describes the concentrations of pathogens and leukocytes using a nonlinear system of ordinary differential equations (ODEs). Our findings demonstrate a mean computational speedup of 5.93, while maintaining a Root Mean Squared Error of 0.0015. These results indicate that PINNs can accurately replicate the ODE system's solutions, offering substantial computational efficiency for this application. © 2024 IEEE.

关键词： Pathogens

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A cross-sectional study on gut microbiota and inflammation in patients with chronic kidney disease

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The American journal of the medical sciences 2025年

作者： Bruna R Paiva Júnia Schultz Fluvio Modolon Jessyca S de Brito Julie A Kemp Marcia Ribeiro Marcelo Ribeiro-Alves Lia S Nakao Drielly Vargas Beatriz G Baptista Larissa Fonseca Livia Alvarenga Intikhab Alam Roberto Incitti Alexandre Soares Rosado Ludmila F M F Cardozo Denise Mafra Graduate Program in Cardiovascular Sciences Fluminense Federal University (UFF) Niterói RJ Brazil. Bioscience Program Biological and Environmental Science and Engineering (BESE) Division King Abdullah University of Science and Technology (KAUST) Thuwal Makkah 23955 Saudi Arabia. Oceanographic Institute University of São Paulo São Paulo SP Brazil. Graduate Program in Biological Sciences - Physiology Federal University of Rio de Janeiro (UFRJ) Rio de Janeiro RJ Brazil. Graduate Program in Nutrition Sciences Fluminense Federal University (UFF) Niterói RJ Brazil. HIV/AIDS Clinical Research Center National Institute of Infectology Evandro Chagas (INI/Fiocruz) Rio de Janeiro RJ Brazil. Department of Basic Pathology Federal University of Paraná Curitiba PR Brazil. Graduate Program in Medical Sciences Fluminense Federal University (UFF) Niterói RJ Brazil. Graduate Program in Biological Sciences - Physiology Federal University of Rio de Janeiro (UFRJ) Rio de Janeiro RJ Brazil Computational Bioscience Research Center Biological and Environmental Science and Engineering (BESE) Division King Abdullah University of Science and Technology (KAUST) Thuwal Makkah 23955 Saudi Arabia. Graduate Program in Cardiovascular Sciences Fluminense Federal University (UFF) Niterói RJ Brazil Graduate Program in Nutrition Sciences Fluminense Federal University (UFF) Niterói RJ Brazil Graduate Program in Medical Sciences Fluminense Federal University (UFF) Niterói RJ Brazil. Electronic address: dmafra30@***.

BACKGROUND:This study investigated the inflammatory and gut microbiota profile in chronic kidney disease (CKD) patients undergoing hemodialysis (HD) and peritoneal dialysis (PD). METHODS:A total of 249 patients undergoing HD and 61 patients on PD participated in the study. The mRNA expressions of nuclear factor erythroid 2-related factor-2 (NRF2), nuclear factor-κappa B (NF-κB), mitochondrial transcription factor A (TFAM), peroxisome proliferator-activated receptor-gamma coactivator 1-alpha (PGC-1α) were evaluated in peripheral blood mononuclear cells (PBMCs) by quantitative real-time PCR. Malondialdehyde (MDA), interleukin 6 (IL-6), and routine biochemical parameters were also analyzed. The fecal DNA extraction was performed, and the V4 regions of the bacterial 16S ribosomal RNA gene were sequenced. Uremic toxins such as p-cresyl sulfate (p-CS), indoxyl sulfate (IS), and indole-3-acetic acid (IAA) plasma levels were determined by HPLC. RESULTS:MDA, IS, and p-CS levels were lower in PD than in HD patients. The mRNA expression of the transcription factors was not different between groups. Gut microbial α-diversity indices showed no significant difference between groups, but the β-diversity was different in PD patients. Members of the genera Meditarraneibacter, Roseburia, Agathobacter, Anaerobutyricum, Collinsella, Streptococcus, Clostridium, and Bacteroides, as well as the families Lachnospiraceae and Enterobacteriaceae, appear to be positively correlated with most dietary factors, particularly lipid and phosphorus intake. CONCLUSION:Our findings indicate that in patients with CKD on HD, there is increased plasma retention of uremic toxins and reduced gut microbial diversity compared to PD patients.

关键词： chronic kidney disease gut microbiota inflammation mitochondrial dysfunction oxidative stress

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Implementation and Performance Evaluation of Collective Communications Using CIRCUS on Multiple FPGAs

Implementation and Performance Evaluation of Collective Comm...

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2023 International Conference on High Performance Computing in Asia-Pacific Region Workshops, HPC Asia 2023

作者： Kikuchi, Kohei Fujita, Norihisa Kobayashi, Ryohei Boku, Taisuke Master's Program in Computer Science Degree Programs in Systems and Information Engineering Graduate School of Science and Technology University of Tsukuba Tsukuba Japan Center for Computational Sciences University of Tsukuba Tsukuba Japan

ISBN: (纸本)9781450399890

In the high-performance computing domain, Field programmable Gate Array (FPGA) is a novel accelerator that exhibits high flexibility and performance characteristics distinct from other accelerators such as the Graphics Processing Unit (GPU). Recent advanced high-end FPGA is equipped with multiple channels of high speed optical link up to 100Gbps performance for each. This is a crucial feature when we construct PC clusters with FPGAs as accelerators, however it is not easy to utilize from user kernels because this feature is implemented in low level and simple direct communication between neighboring FPGAs. In order to provide the communication feature between FPGAs for accelerated PC clusters, we developed a communication system named CIRCUS which implies a user-friendly API from OpenCL and is equipped with routing function over multi-hop communication on multi-dimensional torus network of FPGAs. However, current CIRCUS only provides a point-to-point communication between source and destination FPGAs. In ordinary parallel processing environment such as MPI, the user program the message passing with various collective communication functions for parallel algorithm, for instance Allreduce, Allgather, etc. In this paper, we implement the collective communication function over CIRCUS for user-friendly programming of ordinary parallel algorithms on FPGAs. As the first target, we implement Allreduce function which is the most essential and important function. The paper describes the CIRCUS system briefly followed by the design, implementation and preliminary performance evaluation on Intel Stratix10 FPGAs. © 2023 ACM.

关键词： Field programmable gate arrays (FPGA)

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