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RadonPy:automated physical property calculation using all-atom classical molecular dynamics simulations for polymer informatics

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npj Computational Materials 2022年第1期8卷 2155-2169页

作者： yoshihiro hayashi Junichiro Shiomi Junko Morikawa Ryo Yoshida The Institute of Statistical Mathematics(ISM) Research Organization of Information and Systems10-3 Midori-choTachikawaTokyo190-8562Japan Department of Mechanical Engineering The University of Tokyo7-3-1 HongoBunkyoTokyo113-8656Japan Institute of Engineering Innovation The University of Tokyo2-11 YayoiBunkyo-kuTokyo113-0032Japan Department of Materials Science and Engineering School of Materials and Chemical TechnologyTokyo Institute of Technology2-12-1 OokayamaMeguro-kuTokyo152-8552Japan Research and Services Division of Materials Data and Integrated System(MaDIS) National Institute for Materials Science(NIMS)1-2-1 SengenTsukubaIbaraki305-0047Japan Department of Statistical Science School of Multidisciplinary ScienceThe Graduate University of Advanced Studies(SOKENDAI)10-3 Midori-choTachikawaTokyo190-8562Japan

The spread of data-driven materials research has increased the need for systematically designed materials property ***,the development of polymer databases has lagged far behind other material *** present RadonPy,an open-source library that can automate the complete process of all-atom classical molecular dynamics(MD)simulations applicable to a wide variety of polymeric ***,15 different properties were calculated for more than 1000 amorphous *** MD-calculated properties were systematically compared with experimental data to validate the calculation conditions;the bias and variance in the MD-calculated properties were successfully calibrated by a machine learning *** the high-throughput data production,we identified eight amorphous polymers with extremely high thermal conductivity(>0.4 W∙m^(–1)∙K^(–1))and their underlying *** to the advancement of materials informatics since the advent of computational property databases for inorganic crystals,database construction using RadonPy will promote the development of polymer informatics.

关键词： property calculation dynamics

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Roosting Territory of White Ear-Lobed Red Jungle Fowl （Gallus gallus gallus）

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Journal of Life Sciences 2018年第2期12卷 75-82页

作者： Sawal Wanghongsa Hideki Endo yoshihiro hayashi National Parks Wildlife and Plants Conservation Department Bangkok 10900 Thailand The UniversityMuseum The University of Tokyo Bunkyo Tokyo 113-8654 Japan Graduate School of Agricultural and Life Sciences The University of Tokyo Bunkyo Tokyo 113-8654 Japan Yamashina Institute for Ornithology Abiko Chiba 270-1145 Japan

RJF （red jungle fowl）（Gallus gallus gallus） is territorial birds. Only males advertise and defend territory by metals of crows and combat fighting in severe cases. Crows are testosterone dependent and use up to 4-5% of their basal metabolic rate. Crows race individual voice signatures which differ in tone, duration and vibration. Crows together with radio-telemetry were used here to locate night roosts of dominant males. Between 2005 and 2009, 10 despots were intensively monitored. Outermost locations of individual＇s roosts were connected to form territory and a distance of 50 m was buffered to individual＇s territory to yield home range. Data indicated strong site fidelity of dominant males. The longest territory tenure was 31 months. The life time territory of males was on average 10.24 ha （±1.73 SE） and a home range was 17.59 ha （±2.15 SE）. Average yearly territory vmcied between 5.48 and 10.88 ha per individual and rarely overlapped. Some roosts were used repeatedly at the same point. In the night, RJF was relatively safe and difficult to approach both vertically and horizontally. Roost site selections were thus a trade-off between security and territory proclamation.

关键词： RJF Gallus gallus gallus territory home range crow Khao Ang Rue Nai.

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Influence of texture feature size on spherical silicon solar cells

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Rare Metals 2006年第Z1期25卷 115-120页

作者： hayashi Shota MINEMOTO Takashi TAKAKURA Hideyuki HAMAKAWA yoshihiro College of Science and Engineering Ritsumeikan University 1-1-1 Nojihigashi Kusatsu Shiga 525-8577 Japan

The effects of surface texturing on spherical silicon solar cells were investigated. Surface texturing for spherical Si solar cells was prepared by immersing p-type spherical Si crystals in KOH solution with stirring. Two kinds of texture feature sizes (1 and 5 μm pyramids) were prepared by changing stirring speed. After fabrication through our baseline processes, these cells were evaluated by solar cell performance and external quantum efficiency. The cell with 1 and 5 μm pyramids shows the short circuit current density (Jsc) value of 31.9 and 33.2 mA·cm-2, which is 9% and 13% relative increase compared to the cell without texturing. Furthermore, the cell with 5 μm pyramids has a higher open-circuit voltage (0.589 V) than the cell with 1 μm pyramids (0.577 V). As a result, the conversion efficiency was improved from 11.4% for the cell without texturing to 12.1% for the cell with 5 μm pyramids.

关键词： solar cell spherical silicon texturing alkali etching

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乳牙龋病的群体追踪观察与分析

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上海铁道大学学报（医学版） 1997年第S1期11卷 12-14,18页

作者：高涛石四箴林芳裕药师寺仁町田幸雄东京齿科大学小儿齿科教研室

目的研究口腔保健与幼儿患龋状况的关系。方法于１９９５、１９９６年对上海医科大学幼儿园儿童进行１０１７人次患龋状况的追踪调查。结果调查表明９５年患龋率为６２１１％，ｄｆｔ为３０９±３７２，ＣＳＩ为８９８±１２... 详细信息

目的研究口腔保健与幼儿患龋状况的关系。方法于１９９５、１９９６年对上海医科大学幼儿园儿童进行１０１７人次患龋状况的追踪调查。结果调查表明９５年患龋率为６２１１％，ｄｆｔ为３０９±３７２，ＣＳＩ为８９８±１２６２。９６年患龋率为５５８４％，ｄｆｔ为２５９±３４，ＣＳＩ为８３１±１８０２。两年间患龋率、ｄｆｔ有显著差异性（Ｐ＜００５），均呈下降趋势。ＣＳＩ无显著性差异（Ｐ＞００５）。同时上述各项男女间均无显著差异性。结论作者单位在该幼儿园设有口腔保健室，本文表明在幼儿园设立口腔保健室对控制幼儿患龋状况有积极作用。

关键词：牙.乳患龋率龋均龋蚀指数儿童

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Esophagotracheal fistula caused by gastroesophageal reflux 9 years after esophagectomy

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World Journal of Gastroenterology 2007年第5期13卷 801-803页

作者： Kiyotomi Maruyama Satoru Motoyama Manabu Okuyama Yusuke Sato Kaori hayashi yoshihiro Minamiya Jun-ichi Ogawa Department of Surgery Akita University School of Medicine 1-1-1 Hondo Akita Japan

Fistula between digestive tract and airway is one of the complications after esophagectomy with lymph node dissection. A case of esophagotracheal fistula secondary to esophagitis 9 years after esophagectomy and gastric pull-up for treatment of esophageal carcinoma is described. It was successfully treated with transposition of a pedicled pectoralis major muscle flap.

关键词： Esophagus Fistula Surgery Complications Esophagitis Reflux

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Psychological potential field and human eye fixation on binary line-drawing images: A comparative experimental study

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Computational Visual Media 2020年第2期6卷 205-214页

作者： Naoyuki Awano Yuki hayashi Osaka University of Economics OsakaOsaka533-8533Japan Osaka Prefecture University SakaiOsaka599-8531Japan

Quantitatively evaluating the psychological and perceptual effects of objects is an important issue,but is difficult. In cognitive studies, the psychological potential field(PPF), which represents psychological intensities in vision and can be calculated by applying computational algorithms to digital images, may help with this issue. Although studies have reported using the PPF to evaluate psychological effects, such as impressions, detailed investigations on how the PPF represents psychological perception and its limitations have not yet been performed. Another relevant tool is the fixation map, which visualizes human eye fixations;this map is generated from actual measurements acquired by eye-tracking and does not represent psychological effects directly. Although the PPF and the fixation map are based on visual imaging, they have never been compared. In this paper, we do so for the first time, using psychological and perceptual properties of line-drawing images. The results demonstrate the difference between these methods, including their representation of different properties with respect to visual perception. Moreover, the similarity between the two methods highlights the possibility of assessing perceptual phenomena such as categorization and cognition of objects based on human vision.

关键词： psychological potential field(PPF) eye fixation eye-tracking visual perception line drawing

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Multistep hepatocarcinogenesis from a dysplastic nodule to well-differentiated hepatocellular carcinoma in a patient with alcohol-related liver cirrhosis

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World Journal of Gastroenterology 2007年第8期13卷 1271-1274页

作者： Soo Ryang Kim Hirotsugu Ikawa Kenji Ando Keiji Mita Shuichi Fuki Michiie Sakamoto yoshihiro Kanbara Toshiyuki Matsuoka Masatoshi Kudo Yoshitake hayashi Department of Gastroenterology Kobe Asahi Hospital Japan Department of Pathology Keio University School of Medicine Japan Department of Surgery Hyogo Medical Center for Adults Japan Department of Radiology Osaka City University Medical School Japan Department of Gastroenterology Kinki University School of Medicine Japan Division of Molecular Medicine & Medical Genetics International Center for Medical Research and Treatment Kobe University Graduate School of Medicine Japan

We describe a rare case of the transformation of a dysplastic nodule into well-differentiated hepato- cellular carcinoma (HCC) in a 56-year-old man with alcoholrelated liver cirrhosis. Ultrasound (US) disclosed a 10 mm hypoechoic nodule and contrast enhanced US revealed a hypovascular nodule, both in segment seven. US-guided biopsy revealed a high-grade dysplastic nodule characterized by enhanced cellularity with a high N/C ratio, increased cytoplasmic eosinophilia, and slight cell atypia. One year later, the US pattern of the nodule changed from hypoechoic to hyperechoic without any change in size or hypovascularity. US-guided biopsy revealed well-differentiated HCC of the same features as shown in the first biopsy, but with additional pseudoglandular formation and moderate cell atypia. Moreover, immunohistochemical staining of cyclase- associated protein 2, a new molecular marker of well- differentiated HCC, turned positive. This is the first case of multistep hepatocarcinogenesis from a dysplastic nodule to well-differentiated HCC within one year in alcohol-related liver cirrhosis.

关键词： Multistep hepatocarcinogenesis Dysplastic nodule Well-differentiated hepatocellular carcinoma Alcohol-related liver cirrhosis Cyclase-associated protein 2

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Long-term survival in a patient with Hutchinson-Gilford progeria syndrome and osteosarcoma:A case report

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World Journal of Clinical Cases 2021年第4期9卷 854-863页

作者： Katsuhiro hayashi Norio Yamamoto Akihiko Takeuchi Shinji Miwa Kentaro Igarashi yoshihiro Araki Hirotaka Yonezawa Sei Morinaga Yohei Asano Hiroyuki Tsuchiya Department of Orthopaedic Surgery Kanazawa UniversityKanazawa 9208641Japan

BACKGROUND Hutchinson-Gilford progeria syndrome(HGPS)is an extremely rare disease characterized by the rapid appearance of aging with an onset in *** cardiovascular complications can be life-threatening events for affected patients and the cause of early *** we report a HGPS patient with osteosarcoma hat was successfully managed and is alive 13 years after the *** is the first report describing the detailed surgical procedure and long-term follow-up of osteosarcoma in a patient with *** SUMMARY The patient was diagnosed with HGPS at 5 years of age with typical features and was referred to our department with a suspected bone tumor of the left proximal tibia at the age of *** biopsy of the tibial bone tumor revealed a conventional fibroblastic *** have developed and performed a freezing technique using liquid nitrogen for tumor *** technique overcame the small size of the tibia for megaprosthesis and avoided amputation and limb salvage was achieved 13 years *** the patient had a number of surgical site complications,such as wound dehiscence,and superficial and deep infections due to vulnerable skin in HGPS,no recurrence or metastases were detected for 13 years,and she walks assisted by *** general health was good at the latest follow-up at 31 years of *** A HGPS patient with osteosarcoma was successfully managed and she was alive 13 years after the diagnosis.

关键词： Hutchinson-Gilford progeria syndrome Osteosarcoma Frozen autograft Biological reconstruction Case report Thyroid cancer

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Finite Abelian Groups of K3 Surfaces with Smooth Quotient

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Chinese Annals of Mathematics,Series B 2023年第1期44卷 99-162页

作者： Taro hayashi Faculty of Agriculture Kindai UniversityNakamaticho 3327-204NaraNara 631-8505Japan

The quotient space of a K3 surface by a finite group is an Enriques surface or a rational surface if it is *** groups where the quotient space are Enriques surfaces are *** this paper,by analyzing effective divisors on smooth rational surfaces,the author will study finite groups which act faithfully on K3 surfaces such that the quotient space are *** particular,he will completely determine effective divisors on Hirzebruch surfaces such that there is a finite Abelian cover from a K3 surface to a Hirzebrunch surface such that the branch divisor is that effective ***,he will decide the Galois group and give the way to construct that Abelian cover from an effective divisor on a Hirzebruch ***,he studies the same theme for Enriques surfaces.

关键词： K3 surface Finite Abelian group Abelian cover of a smooth rational surface

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Changes of integrin expression in rat hepatocarcinogenesis induced by 3′-Me-DAB

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World Journal of Gastroenterology 2000年第2期6卷 231-233页

作者： hayashi KeiKi Department of Pathology Okayarna UniversityJapan

AIM To investigate the expression of integrinsin rats liver during 3’-Me-DAB inducedhepatocarcinogenesis and to find out therelationship between integrins and liver *** The expressions of integrins α1,α2,α3 and α5 and epidermal keratin（EK）wereobserved by immunohistochemical PAP *** In the normal liver tissues,hepatocytes express integrins α1 and α5 and inthe bile duct epithlium,*** liver cirrhosis,hepatocytes highly express integrins α1,α2,α3and α5 and in hyperplastic bile duct epithelium,integrins α1,α5 and *** of integrinsα1,α2,α3 and α5 were obviously decreased in thepreneoplastic nodules and primary carcinomabut expressions of integrins α1 and α5 inmetastasis in the lung and diaphragma werehigher than those in primary *** Integrins α1 and α5 may play amajor role in chemically inducedhepatocarcinogenesis and metastasis in rats.

关键词： integrins 3′-Me-DAB liver neoplasm/chemically induced neoplasm metastasis rats

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