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AI powered, automated discovery of polymer membranes for carbon capture

npj Computational Materials 2023年第1期9卷 966-976页

作者： Ronaldo Giro Hsianghan Hsu Akihiro Kishimoto Toshiyuki Hama Rodrigo F.Neumann Binquan Luan Seiji Takeda lisa hamada Mathias B.Steiner IBM Research Av.República do Chile330CEP 20031-170 Rio de JaneiroRJBrazil IBM Research 7-7Shin-KawasakiSaiwai-KuKawasakiKanagawa 212-0032Japan IBM Research 1101 Kitchawan Road PO Box 218Yorktown HeightsNY 10598-0218USA

The generation of molecules with artificial intelligence(AI)or,more specifically,machine learning(ML),is poised to revolutionize materials *** applications range from development of potent drugs to efficient carbon capture and separation ***,existing computational discovery frameworks for polymer membranes lack automated training data creation,generative design,and physical performance validation at meso-scale where complex properties of amorphous materials *** methodological gaps are less relevant to the ML design of individual molecules such as the monomers which constitute the building blocks of ***,we report automated discovery of complex materials through inverse molecular design which is informed by meso-scale target features and process *** have explored the multi-scale discovery regime by computationally generating and validating hundreds of polymer candidates designed for application in post-combustion carbon dioxide ***,we have validated each discovery step,from training dataset creation,via graph-based generative design of optimized monomer units,to molecular dynamics simulation of gas permeation through the polymer *** the latter,we have devised a representative elementary volume(REV)enabling permeability simulations at about 1000×the volume of an individual,ML-generated monomer,obtaining quantitative *** discovery-to-validation time per polymer candidate is on the order of 100 h using one CPU and one GPU,offering a computational screening alternative prior to lab validation.

关键词： monomer latter elementary

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Accelerating material design with the generative toolkit for scientific discovery

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npj Computational Materials 2023年第1期9卷 1649-1654页

作者： Matteo Manica Jannis Born Joris Cadow Dimitrios Christofidellis Ashish Dave Dean Clarke Yves Gaetan Nana Teukam Giorgio Giannone Samuel C.Hoffman Matthew Buchan Vijil Chenthamarakshan Timothy Donovan Hsiang Han Hsu Federico Zipoli Oliver Schilter Akihiro Kishimoto lisa hamada Inkit Padhi Karl Wehden Lauren McHugh Alexy Khrabrov Payel Das Seiji Takeda John R.Smith IBM Research Europe-Zurich RüschlikonSwitzerland IBM Research-UK HursleyUK IBM Research-Yorktown Heights New YorkUSA IBM Research-Tokyo TokyoJapan IBM Research-Almaden San JoseUSA

With the growing availability of data within various scientific domains,generative models hold enormous potential to accelerate scientific *** harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery *** present the Generative Toolkit for Scientific Discovery(GT4SD).This extensible open-source library enables scientists,developers,and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on organic material design.

关键词： enable scientific formulation

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The evolution of cancer genomic medicine in Japan and the role of the National Cancer Center Japan

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Cancer Biology & Medicine 2024年第1期21卷 29-44页

作者： Teruhiko Yoshida Yasushi Yatabe Ken Kato Genichiro Ishii Akinobu hamada Hiroyuki Mano Kuniko Sunami Noboru Yamamoto Takashi Kohno Department of Genetic Medicine and Services National Cancer Center HospitalTokyo 104-0045Japan Department of Diagnostic Pathology National Cancer Center HospitalTokyo 104-0045Japan Clinical Research Support Offce Clinical Research Coordinating SectionBiobank Translational Research Support SectionNational Cancer Center HospitalTokyo 104-0045Japan Department of Pathology and Clinical Laboratories National Cancer Center Hospital EastChiba 277-8577Japan Division of Molecular Pharmacology National Cancer Center Research InstituteTokyo 104-0045Japan National Cancer Center Research Institute Tokyo 104-0045Japan Department of Laboratory Medicine National Cancer Center HospitalTokyo 104-0045Japan Department of Experimental Therapeutics National Cancer Center HospitalTokyo 104-0045Japan Division of Genome Biology National Cancer Center Research InstituteTokyo 104-0045Japan

The journey to implement cancer genomic medicine(CGM)in oncology practice began in the 1980s,which is considered the dawn of genetic and genomic cancer *** the time,a variety of activating oncogenic alterations and their functional significance were unveiled in cancer cells,which led to the development of molecular targeted therapies in the 2000s and *** CGM is still a relatively new discipline and it is difficult to predict to what extent CGM will benefit the diverse pool of cancer patients,the National Cancer Center(NCC)of Japan has already contributed considerably to CGM advancement for the conquest of *** back at these past achievements of the NCC,we predict that the future of CGM will involve the following:1)A biobank of paired cancerous and non-cancerous tissues and cells from various cancer types and stages will be *** quantity and quality of these samples will be compatible with omics *** biobank samples will be linked to longitudinal clinical information.2)New technologies,such as whole-genome sequencing and artificial intelligence,will be introduced and new bioresources for functional and pharmacologic analyses(e.g.,a patient-derived xenograft library)will be systematically deployed.3)Fast and bidirectional translational research(bench-to-bedside and bedside-to-bench)performed by basic researchers and clinical investigators,preferably working alongside each other at the same institution,will be implemented;4)Close collaborations between academia,industry,regulatory bodies,and funding agencies will be established.5)There will be an investment in the other branch of CGM,personalized preventive medicine,based on the individual's genetic predisposition to cancer.

关键词： Cancer genomic medicine biobank patient-derived xenograft multi-gene panel test whole genome sequencing

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Genomic medicine in clinical practice:national genomic medicine program in Japan

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Cancer Biology & Medicine 2024年第1期21卷 4-9页

Cancer statistics in Japan Cancer is the most common cause of death in Japan based on Statistics 2021~*** statistics were first gathered,infectious diseases,such as tuberculosis,and cerebrovascular disease have been the main causes of death in *** surpassed cerebrovascular disease as the main cause of death in 1981,and the number of cancer deaths has *** 38,000 people died of cancer in *** National Cancer Center(NCC)reported that the 5-year survival rate for patients with cancer was improving(62%for males and 66.9%for females)in a population-based cancer registry.

关键词： Cancer cancer death

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High-grade pancreatic intraepithelial neoplasia diagnosed based on changes in magnetic resonance cholangiopancreatography findings:A case report

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World Journal of Clinical Cases 2024年第8期12卷 1487-1496页

作者： Nao Furuya Atsushi Yamaguchi Naohiro Kato Syuhei Sugata Takuro hamada Takeshi Mizumoto Yuzuru Tamaru Ryusaku Kusunoki Toshio Kuwai Hirotaka Kouno Kazuya Kuraoka Yoshiyuki Shibata Sho Tazuma Takeshi Sudo Hiroshi Kohno Shiro Oka Department of Gastroenterology National Hospital Organization Kure Medical Center and Chugoku Cancer CenterKure 737-0023HiroshimaJapan Department of Gastroenterology Hiroshima University HospitalHiroshima 734-8551HiroshimaJapan Department of Pathology National Hospital Organization Kure Medical Center and Chugoku Cancer CenterKure 737-0023HiroshimaJapan Department of Surgery National Hospital Organization Kure Medical Center and Chugoku Cancer CenterKure 737-0023HiroshimaJapan

BACKGROUND High-grade pancreatic intraepithelial neoplasia(PanIN)exhibits no mass and is not detected by any examination ***,it can be diagnosed by pancreatic juice cytology from indirect *** previous cases were diagnosed based on findings of a focal stricture of the main pancreatic duct(MPD)and caudal MPD dilatation and subsequent pancreatic juice cytology using endoscopic retrograde cholangiopancreatography(ERCP).We experienced a case of high-grade PanIN with an unclear MPD over a 20-mm range,but without caudal MPD dilatation on magnetic resonance cholangiopancreatography(MRCP).CASE SUMMARY A 60-year-old female patient underwent computed tomography for a follow-up of uterine cancer post-excision,which revealed pancreatic *** revealed an unclear MPD of the pancreatic body at a 20-mm length without caudal MPD ***,course observation was *** 24 mo,MRCP revealed an increased caudal MPD caliber and a larger pancreatic *** performed ERCP and detected atypical cells suspected of adenocarcinoma by serial pancreatic juice aspiration cytology *** performed a distal pancreatectomy and obtained a histopathological diagnosis of high-grade *** parenchyma invasion was not observed,and curative resection was *** High-grade Pan-IN may cause MPD narrowing in a long range without caudal MPD dilatation.

关键词： Pancreatic cancer Pancreatic intraepithelial neoplasm High-grade pancreatic intraepithelial neoplasm Magnetic resonance cholangiopancreatography Carcinoma in situ Case report

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Positive Effect of Transcranial Direct Current Stimulation on Visual Verbal Working Memory in Patients with Attention-Deficit/Hyperactivity Disorder

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Open Journal of Psychiatry 2024年第4期14卷 334-346页

作者： Tomoko Uchida Daisuke Matsuzawa Tadashi Shiohama Katsunori Fujii Akihiro Shiina Masamitsu Naka Katsuo Sugita Eiji Shimizu Naoki Shimojo Hiromichi hamada Department of Pediatrics Graduate School of Medicine Chiba University Chiba Japan Research Center for Child Mental Development Chiba University Chiba Japan Division of Medical Care and Treatment Center for Forensic Mental Health Chiba University Chiba Japan Department of Cognitive Behavioral Physiology Graduate School of Medicine Chiba University Chiba Japan

Background: Working memory is an executive function that plays an important role in many aspects of daily life, and its impairment in patients with attention-deficit/hyperactivity disorder (ADHD) affects quality of life. The dorsolateral prefrontal cortex (DLPFC) has been a good target site for transcranial direct current stimulation (tDCS) due to its intense involvement in working memory. In our 2018 study, tDCS improved visual-verbal working memory in healthy subjects. Objective: This study examines the effects of tDCS on ADHD patients, particularly on verbal working memory. Methods: We conducted an experiment involving verbal working memory of two modalities, visual and auditory, and a sustained attention task that could affect working memory in 9 ADHD patients. Active or sham tDCS was applied to the left DLPFC in a single-blind crossover design. Results: tDCS significantly improved the accuracy of visual-verbal working memory. In contrast, tDCS did not affect auditory-verbal working memory and sustained attention. Conclusion: tDCS to the left DLPFC improved visual-verbal working memory in ADHD patients, with important implications for potential ADHD treatments.

关键词： Working Memory Attention-Deficit/Hyperactivity Disorder Dorsolateral Prefrontal Cortex Transcranial Direct Current Stimulation

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伊藤町零碳酒店

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世界建筑导报 2024年第1期39卷 114-117页

作者： Minoru Yokoo Takumi Saikawa Masaki hamada(kkpo)(摄影) 不详

我们设计了一家零能耗酒店,作为西条市的社区中心。西条市是著名的“Uchinuki”井水产地,水源来自被视为圣山的石锤山。2016年,东京大学隈研吾实验室开始与各地的合作伙伴密切合作,以水为主题制定名为“伊藤町项目”的新型环保城市总体... 详细信息

我们设计了一家零能耗酒店,作为西条市的社区中心。西条市是著名的“Uchinuki”井水产地,水源来自被视为圣山的石锤山。2016年,东京大学隈研吾实验室开始与各地的合作伙伴密切合作,以水为主题制定名为“伊藤町项目”的新型环保城市总体规划。与当地居民举办了研讨会,为年轻建筑师举办了个人建筑竞赛,并在此基础上建立了“伊藤町”网络。

关键词：城市总体规划东京大学零能耗隈研吾酒店零碳当地居民建筑师

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Dynamics of 7Li breakup and its influence on elastic scattering: a study of 7Li + 144Sm system

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Chinese Physics C 2024年第2期48卷 124-134页

作者： A.Morzabayev N.Amangeldi Awad A.Ibraheem D.Soldatkhan G.Yergaliuly B.Mauyey Anuar.A.Orazalievna Sh.hamada L.N.Gumilyov eurasian national university astanakazakhstan Institute of nuclear physics almatykazakhstan Physics department king khalid universityabhasaudi arabia Faculty of science tanta universitytantaegypt

The angular distributions of 7Li+144Sm elastic scattering over the energy range of 21.6–52 MeV are reanalyzed utilizing various interaction *** analysis aims to study the consistency of the implemented potentials in representing the considered data and investigate the cluster nature of the weakly bound 7Li *** will aid in the better understanding the impacts of 7Li breakup on the elastic scattering *** coupling to the breakup channel has a substantial impact on the elastic data and reproduces a repulsive dynamical polarization potential,which drastically diminishes the real potential *** reported impact was simulated by introducing a semi-microscopic repulsive DPP and by implementing the method of continuum discretized coupled *** analysis was also extended to understand the impact of triton transfer on the elastic scattering data.

关键词： phenomenological and semi-microscopic potentials cluster folding dynamic polarization

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无纺结构麻纤维复合材料疲劳性能及失效机理

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纺织科学与工程学报 2024年第1期41卷 29-33页

作者：阳玉球 Vasilije Petrovic Nabiyeva Iroda Hiroyuki hamada 朱爱国王华东华大学纺织学院上海201620 诺维萨德大学服装工程塞尔维亚坦塔什干纺织与轻工大学乌兹别克斯坦复层技术研究所日本滋贺中国农业科学院麻类研究所湖南长沙410000 新疆农业大学农学院新疆乌鲁木齐830052

近年来,以可持续性为特征的麻纤维因其在环境可接受性和商业可行性方面的优势而备受关注。以麻纤维代表之一的洋麻毡为增强材料,不饱和聚酯(UP)为基体,采用手工叠层和模压成型的方法制备了洋麻/UP复合材料。设计低周疲劳(低速低循环疲劳... 详细信息

近年来,以可持续性为特征的麻纤维因其在环境可接受性和商业可行性方面的优势而备受关注。以麻纤维代表之一的洋麻毡为增强材料,不饱和聚酯(UP)为基体,采用手工叠层和模压成型的方法制备了洋麻/UP复合材料。设计低周疲劳(低速低循环疲劳)和高周疲劳(高速多循环疲劳测试)来探讨其疲劳性能和疲劳极限,重点观察不同疲劳测试条件下麻纤维的断裂形态和失效机理。

关键词：麻纤维复合材料无纺结构低周(低速低循环)疲劳高周(高速多循环)疲劳失效机理

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Challenges for a reduced inertia power system due to the large-scale integration of renewable energy

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Global Energy Interconnection 2022年第3期5卷 266-273页

作者： Hiromu hamada Yoshitaka Kusayanagi Masamoto Tatematsu Masayuki Watanabe Hiroshi Kikusato Tokyo Electric Power Company Holdings Inc.4-1Egasaki-choTsurumi-kuYokohama230-8510KanagawaJapan Kansai Electric Power Company Inc.3-11-20NakojiAmagasaki661-0974 HyogoJapan Kyushu Institute of Technology 1-1 Sensui-choTobata-kuKitakyushuFukuoka 804-8550Japan Fukushima Renewable Energy Institute AIST(FREA)2-2-9 MachiikedaiKoriyama963-0298 FukushimaJapan

This paper reports on the status of technology development under a national project launched in 2019 to address the problem of decreased system inertia associated with the large-scale integration of renewable *** project comprises two parts:the development of a system inertia observation technology using a continuous monitoring system to observe inertia and development of an inverter equipped with a function to provide virtual inertia as a countermeasure *** both these efforts,the project aims to facilitate the introduction of renewable energy in the future with minimum *** was confirmed that the trend of inertia observed with the developed method was generally the same as that of the total inertia of synchronous machines observed by an electric *** effectiveness of the countermeasure device in reducing the frequency swing during a disturbance was confirmed through evaluation tests.

关键词： Renewable energy System inertia Fast Fourier Transform(FFT) Inverter

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