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Machine-learning driven global optimization of surface adsorbate geometries

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npj Computational Materials 2023年第1期9卷 1196-1203页

作者： Hyunwook Jung Lena Sauerland Sina stocker Karsten Reuter Johannes T.Margraf Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6D-14195 BerlinGermany

The adsorption energies of molecular adsorbates on catalyst surfaces are key descriptors in computational catalysis *** the relatively large reaction intermediates frequently encountered,e.g.,in syngas conversion,a multitude of possible binding motifs leads to complex potential energy surfaces(PES),*** implies that finding the optimal structure is a difficult global optimization problem,which leads to significant uncertainty about the stability of many *** tackle this issue,we present a global optimization protocol for surface adsorbate geometries which trains a surrogate machine learning potential *** approach is applicable to arbitrary surface models and adsorbates and minimizes both human intervention and the number of required DFT calculations by iteratively updating the training set with configurations explored by the *** demonstrate the efficiency of this approach for a diverse set of adsorbates on the Rh(111)and(211)surfaces.

关键词： optimization global implies

IPCC第五次评估报告第一工作组报告的亮点结论

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气候变化研究进展 2014年第1期10卷 1-6页

作者：秦大河 Thomas stocker 中国科学院冰冻圈科学国家重点实验室兰州730000 中国气象局北京100081 University of Bern Bern 3012Switzerland

IPCC第h次评估报告（AR5）第一工作组（WGI）报告的亮点结论，是过去7年全世界气候变化科学研究成果凝练出来的精华。20世纪50年代以来全球气候变暖的一半以上是人类活动造成的。1971年以来人为排放温室气体产生热量的93％进入了海洋，... 详细信息

IPCC第h次评估报告（AR5）第一工作组（WGI）报告的亮点结论，是过去7年全世界气候变化科学研究成果凝练出来的精华。20世纪50年代以来全球气候变暖的一半以上是人类活动造成的。1971年以来人为排放温室气体产生热量的93％进入了海洋，海洋还吸收了大约30％人为排放的CO2，导致海表水pH值下降了0．1，等等。采用全球耦合模式比较计划第五阶段（CMIP5）的模式，预估未来全球气候变暖仍将持续，2l世纪宋全球平均地表温度往19862005年的基础上将升高0-3～4．8℃。限制气候变化需要大幅度持续减少温室气体排放。如果将18611880年以来的人为CO：累积排放控制在1000GtC，那么人类有超过66％的可能性把未来升温幅度控制征2℃以内（相对于1861-1880年）。

关键词：气候变化温室气体 IPCCAR5 WGI

The Ceneri Base Tunnel＂ Construction Experience with the Southern Portion of the Flat Railway Line Crossing the Swiss Alps

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Engineering 2018年第2期4卷 71-84页

作者： Davide Merlini Daniele stocker Matteo Falanesca Roberto Schuerch Pini Swiss Engineers Lugano 6900 Switzerland

This paper summarizes the experience that was gained during the construction of the 15.4 km long Ceneri Base Tunnel （CBT）, which is the southern part of the fiat railway line crossing the Swiss Alps from north to south. The project consisted of a twin tube with a diameter of 9 m interconnected by cross- passages, each 325 m long. In the middle of the alignment and at its southern end, large caverns were excavated for logistical and operational requirements. The total excavation length amounted to approx- imately 40 km. The tunnel crossed Alpine rock formations comprising a variety of rock typologies and several fault zones. The maximum overburden amounted to 850 m. The excavation of the main tunnels and of the cross-passages was executed by means of drill-and-blast （D＆B） excavation. The support con- sisted of bolts, meshes, fiber-reinforced shotcrete and, when required, steel ribs. A gripper tunnel boring machine （TBM） was used in order to excavate the access tunnel. The high overburden caused squeezing rock conditions, which are characterized by large anisotropic convergences when crossing weaker rock formations. The latter required the installation of a deformable support. At the north portal, the tunnel （with an enlarged cross-section） passed underneath the A2 Swiss highway （the major road axis connect- ing the north and south of Switzerland） at a small overburden and through soft ground. Vertical and sub- horizontal jet grouting in combination with partial-face excavation was successfully implemented in order to limit the surface settlements. The south portal was located in a dense urban area. The excavation from the south portal included an approximately 220 m long cut-and-cover tunnel, followed by about 300 m of D＆B excavation in a bad rock formation. The very low overburden, poor rock quality, and demanding crossing with an existing road tunnel （at a vertical distance of only 4 m） required special excavation methods through reduced sectors and special blastin

关键词： Deep and long tunnel Difficult ground conditions Support design Risk management Tunnel monitoring Large cavernsLow overburdenOverpass tunnel Numerical analysis Excavation in urban area

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DRINKER of THE WIND

英语学习 1999年第1期 20-22页

作者： Joseph stocker 乐嘉辉

饮风之子:阿拉伯马,世界上最早的改良马品种,素以"耐力、骁勇、通人性"见称。这种马身材矮小而结实,毛色多样,以灰色为主。身高约152cm,体重360～450公斤。因快速、力强、体形美、温驯而受人珍爱。文中 he,the Arabian 均指阿拉伯马。

关键词：阿拉伯马 DRINKER of THE WIND

Rotational Intravascular Multidirectional Ultrasound Catheter for Sonothrombolysis of Retracted Clots:An in Vitro and in Vivo Study

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Engineering 2024年第11期42卷 235-243页

作者： Huaiyu Wu Jinwook Kim Bohua Zhang Gabe Owens Greyson stocker Mengyue Chen Benjamin C.Kreager Ashley Cornett Kathlyne Bautista Tarana Kaovasia Paul A.Dayton Zhen Xu Xiaoning Jiang Department of Mechanical and Aerospace Engineering North Carolina State UniversityRaleighNC 27695USA Joint Department of Biomedical Engineering The University of North Carolina at Chapel HillChapel HillNC 27599USA Department of Biomedical Engineering University of MichiganAnn ArborMI 48109USA

Thromboembolism in blood vessels poses a serious risk of stroke,heart attack,and even sudden death if not properly *** combined with ultrasound contrast agents has emerged as a promising approach for the effective treatment of *** reports have highlighted the potential of intravascular sonothrombolysis as a safe and effective treatment modality for deep vein thrombosis(DVT).However,its efficiency has not been validated through in vivo testing of retracted *** study aimed to develop a miniaturized multidirectional transducer featuring two 4-layer lead zir-conate titanate(PZT-5A)stacks with an aperture size of 1.4 mm1.4 mm,enabling both forward-and side-looking *** into a custom two-lumen 10-French(Fr)catheter,the capability of this device for intravascular sonothrombolysis was validated both in vitro and in *** low-dose tissue plasminogen activators and nanodroplets,the rotational multidirectional transducer reduced the retracted clot mass(800 mg)by an average of 52%within 30 min during in vitro *** lysis rate was significantly higher by 37%than that in a forward-viewing transducer without *** improvement was particularly noteworthy in the treatment of retracted ***,a long-retracted clot(>10 cm)was successfully treated within 40 min in vivo by creating a flow channel with a diameter>4 mm in a porcine DVT *** conclusion,these findings strongly suggest the potential of this technique for clinical applications in sonothrombolysis,offering a feasible solution for effectively treating thromboembolism,particularly in challenging cases involving retracted clots.

关键词： Intravascular ultrasound catheter Sonothrombolysis in vivo Retracted clots thrombolysis

Arsenic trioxide induces regulatory functions of plasmacytoid dendritic cells through interferon-α inhibition

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Acta Pharmaceutica Sinica B 2020年第6期10卷 1061-1072页

作者： Yishan Ye Laure Ricard Lama Siblany Nicolas stocker Frédéric De Vassoigne Eolia Brissot Baptiste Lamarthée Arsène Mekinian Mohamad Mohty Béatrice Gaugler Florent Malard Sorbonne Université INSERMCentre de Recherche Saint-Antoine(CRSA)Paris F-75012France Bone Marrow Transplantation Center the First Affiliated HospitalSchool of MedicineZhejiang UniversityHangzhou 310003China AP-HP Hôpital Saint-AntoineService d’Hématologie Clinique et Thérapie CellulaireParis F-75012France AP-HP Hôpital Saint-AntoineService de Médecine Interne et de l'Inflammation-(DHU i2B)Paris F-75012France

Arsenic trioxide(As2O3)is recently found to have therapeutic potential in systemic sclerosis(SSc),a life-threatening multi-system fibrosing autoimmune disease with type I interferon(IFN-I)*** activated plasmacytoid dendritic cells(pDCs)are responsible for IFN-I secretion and are closely related with fibrosis establishment in *** this study,we showed that high concentrations of As2O3 induced apoptosis of pDCs via mitochondrial pathway with increased BAX/BCL-2 ratio,while independent of reactive oxygen species ***,at clinical relevant concentrations,As2O3 preferentially inhibited IFN-αsecretion as compared to other cytokines such as TNF-α,probably due to potent down-regulation of the total protein and mRNA expression,as well as phosphorylation of the interferon regulatory factor7(IRF7).In addition,As2O3 induced a suppressive phenotype,and in combination with cytokine inhibition,it down-regulated pDCs’capacity to induce CD4+T cell proliferation,Thl/Th22 polarization,and B cell differentiation towards ***,chronically activated pDCs from SSc patients were not resistant to the selective IFN-αinhibition,and regulatory phenotype induced by ***,our data suggest that As2O3 could target pDCs and exert its treatment efficacy in SSc,and more autoimmune disorders with IFN-I signature.

关键词： Arsenic trioxide Plasmacytoid dendritic cell Immunotherapy Systemic sclerosis IFN-I

A Model of High-Speed Endovascular Sonothrombolysis with Vortex Ultrasound-Induced Shear Stress to Treat Cerebral Venous Sinus Thrombosis

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Research 2023年第1期2023卷 1-13页

作者： Bohua Zhang Huaiyu Wu Howuk Kim Phoebe J.Welch Ashley Cornett Greyson stocker Raul G.Nogueira Jinwook Kim Gabe Owens Paul A.Dayton Zhen Xu Chengzhi Shi Xiaoning Jiang Department of Mechanical&Aerospace Engineering North Carolina State UniversityRaleighNCUSA Department of Mechanical Engineering Inha University IncheonRepublic of Korea George W.Woodruff School of Mechanical Enginering Grgia lnstitute of TechnlogyAtlantaGAUSA Department of Biomedical Engineering University of Michigan Ann ArborMIUSA Department of Neurology Universityof Pittsburgh Medical CenterPttsburghPA USA Department of Biomedical Engineering University of North CarolinaChapel HillNCUSA Parker H.Petit Institute for Bioengineering and Bioscience Georgia Institute of TechnologyAtlantaGAUSA

This research aims to demonstrate a novel vortex ultrasound enabled endovascular thrombolysis method designed for treating cerebral venous sinus thrombosis(CVST).This is a topic of substantial importance since current treatment modalities for CVST still fail in as many as 20%to 40%of the cases,and the incidence of CvST has increased since the outbreak of the coronavirus disease 2019 *** with conventional anticoagulant or thrombolytic drugs,sonothrombolysis has the potential to remarkably shorten the required treatment time owing to the direct clot targeting with acoustic ***,previously reported strategies for sonothrombolysis have not demonstrated clinically meaningful outcomes(e.g.,recanalization within 30 min)in treating large,completely occluded veins or ***,we demonstrated a new vortex ultrasound technique for endovascular sonothrombolysis utilizing wavematter interaction-induced shear stress to enhance the lytic rate *** in vitro experiment showed that the lytic rate was increased by at least 64.3%compared with the nonvortex endovascular ultrasound treatment.A 3.1-g,7.5-cm-long,completely occluded in vitro 3-dimensional model of acute CVST was fully recanalized within 8 min with a record-high lytic rate of 237.5 mg/min for acute bovine clot ***,we confirmed that the vortex ultrasound causes no vessel wall damage over ex vivo canine *** vortex ultrasound thrombolysis technique potentially presents a new life-saving tool for severe CVST cases that cannot be efficaciously treated using existing therapies.

关键词： thrombolysis drugs vortex

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Prix Ars Electronica

2011年

作者： [editors] Hannes Leopoldseder Christine Schopf Gerfried stocker

来源：畅想之星图书光盘版（南... 评论

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脉冲发生器的评价

今日电子 2006年第8期 52-52,61页

作者： Todd stocker Keithley

最近几年,人们研制出了新的测试技术,以迎接业界新标准快速发展所带来的挑战,例如半导体和通信技术.脉冲测试就是其中一种技术.

关键词：脉冲发生器评价测试技术通信技术脉冲测试半导体