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Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models

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npj Computational Materials 2022年第1期8卷 1468-1481页

作者： Liwei Zhang Berk Onat Geneviève Dusson Adam McSloy G.Anand Reinhard J.maurer Christoph Ortner james R.Kermode Department of Mathematics University of British Columbia1984 Mathematics RoadVancouverBCV6T 1Z2Canada Warwick Centre for Predictive Modelling School of EngineeringUniversity of WarwickCoventryCV47ALUK Laboratoire de Mathématiques UMR CNRS 6623UniversitéBourgogne Franche-Comté16 route de Gray25030BesançonFrance Department of Metallurgy and Materials Engineering Indian Institute of Engineering Science and Technology-ShibpurHowrahWBIndia Department of Chemistry University of WarwickCoventryCV47ALUK

We propose a scheme to construct predictive models for Hamiltonian matrices in atomic orbital representation from ab initio data as a function of atomic and bond *** scheme goes beyond conventional tight binding descriptions as it represents the ab initio model to full order,rather than in two-centre or three-centre *** achieve this by introducing an extension to the atomic cluster expansion(ACE)descriptor that represents Hamiltonian matrix blocks that transform equivariantly with respect to the full rotation *** approach produces analytical linear models for the Hamiltonian and overlap *** an application to aluminium,we demonstrate that it is possible to train models from a handful of structures computed with density functional theory,and apply them to produce accurate predictions for the electronic *** model generalises well and is able to predict defects accurately from only bulk training data.

关键词： structure Hamiltonian analytical

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协调流程从创新到创收的捷径

IT时代周刊 2006年第18期16卷 78-79页

作者： james P.Andrew Andreas maurer (美)波士顿咨询公司芝加哥办公室杜塞尔多夫办公室

对习惯于独立进行新产品开发和市场化过程的公司而言,如果能够考虑协调模式的巨大优势。

关键词：协调模式创新新产品开发市场化业绩

AsiaBlight Is a Pan-Asian Network Focused on Uncovering *** Population Dynamics and Improving the Management of the Late Blight Threat in Asia

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AsiaBlight Is a Pan-Asian Network Focused on Uncovering *** ...

<i>In Vitro</i>Activities of Mupirocin, Tigecycline, Ceftaroline, Vancomycin, Linezolid and Daptomycin in Clinical Isolates of Methicillin-Resistant <i>Staphylococcus aureus</i>by E-Test Methodology

2019年中国马铃薯大会

作者： Christelle Lasserre Alberto maurer International Potato Center(CIP) CIP-China Center for Asia Pacific(CCCAP)

Potato is a staple food that is crucial to fight malnutrition and combat severe rural poverty in *** blight(LB)is a major constraint to production throughout the *** results in lower potato yields,higher production costs and intensive use of *** Asia has numerous researchers working on different aspects of LB,their efforts lack ***,currently there is no overall picture of the Asian Phytophthora *** population,which means that information regarding its most effective control measures is *** overcome these problems,AsiaBlight,a pan-Asian Late Blight scientific community and network,was initiated in *** initially focused on establishing a coarse-scale map of *** in the *** study,performed by David Cook(james Hutton Institute)and Louise Cook(Queen’s University),has shown that the aggressive genotype 132(Blue 13),already reported from China and India,is widespread across continental Asia and is present in Georgia,Nepal,Bangladesh and *** contrast,this same genotype was not detected in the *** populations of the islands of Asia which were *** these islands(Japan,Taiwan,Indonesia and the Philippines),distinct and disparate *** populations were *** in 2018,the CIP-China Center for Asia Pacific(CCCAP)has focused on implementing a self-sustaining AsiaBlight *** September 2018,CCCAP has had many discussions with LB stakeholders in different Asian countries,to better understand how the new AsiaBlight network can respond to the expectations of the *** main goals for AsiaBlight are to train and build capacity among LB stakeholders,increase understanding of LB,and improve LB management through information,enhanced communication and collaboration,more coordinated research,and the introduction of new LB management *** a network,AsiaBlight strives to involve scientists,farmers,the agrochemical industry,government officials

关键词： late blight AsiaBlight Phytophtora infestans plant pathogen fungicide

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Open Journal of Medical Microbiology 2015年第1期5卷 12-16页

作者： Priyal Chadha Noriel Mariano Vincent LaBombardi Sorana Segal-maurer Carl Urban Bronx High School of Science Bronx NY USA The Dr. james J. Rahal Jr. Division of Infectious Diseases New York Hospital Queens Flushing NY USA Department of Pathology New York Medical College Valhalla NY USA Weill Cornell Medical College Cornell University Ithaca USA

Introduction: In 2013, the Center for Disease Control (CDC) designated methicillin-resistant Staphylococcus aureus (MRSA) as a serious threat. In addition to its intrinsic virulence, MRSA has become resistant to numerous antibacterial agents. In many instances, mupirocin is used empirically to decolonize patients harboring MRSA to decrease the possibility of progression to disease. In vitro susceptibility information is critical to identify patients who would benefit from use of mupirocin for decolonization and treatment of infections caused by MRSA. Methods: One-hundred and sixty-three recent MRSA single patient clinical isolates were collected from the Clinical Microbiology Laboratory. In-vitro susceptibility testing was performed using E-test methodology for tigecycline, ceftaroline, daptomycin, vancomycin, linezolid, and mupirocin. Results: Of the 163 MRSA isolates tested, >99% demonstrated susceptibility to tigecycline, ceftaroline, daptomycin, vancomycin, and linezolid. Seventy (43%) had vancomycin MICs ≥ 1.5 μg/ml, twenty-four isolates (15%) were resistant to mupirocin, and three appeared to express mupirocin hetero-resistance. Conclusion: While antibiotic susceptibility to mupirocin is not routinely performed in clinical microbiology laboratories, the level of resistance to mupirocin identified in this surveillance study suggests that susceptibility testing should be added to routine MRSA panels.

关键词： Methicillin-Resistant Staphylococcus aureus Mupirocin Resistance Antibiotic Susceptibility MIC Creep

Detection and Characterization of β-Lactamase Encoding Genes in Carbapenem Non-Susceptible Gram-Negative Bacteria and Susceptibility of Isolates to Ceftazidime-Avibactam at a New York City Community Hospital

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Open Journal of Medical Microbiology 2016年第4期6卷 150-157页

作者： Carl Urban Rita Colon-Urban Vincent J. LaBombardi Noriel Mariano Nishant Prasad Geeti Dhillon Marina Guralnik Sorana Segal-maurer The Dr. james J. Rahal Jr. Division of Infectious Diseases Department of Medicine New York-Presbyterian/Queens Flushing NY USA The Dr. james J. Rahal Jr. Division of Infectious Diseases Department of Medicine NewYork-Presbyterian/Queens Flushing NY USA Department of Biological Sciences SUNY Old Westbury Old Westbury New York NY USA Department of Pathology NewYork-Presbyterian/Queens Flushing NY USA

A surveillance study was undertaken to identify prominent β-lactamase encoding genes in 131 carbapenem non-susceptible gram-negative clinical isolates at a New York City community hospital. KPC carbapenemases were detected in 89% of Enterobacteriaceae as well as additional TEM, SHV, and CTX-M class A enzymes. OXA-23 and OXA-24 were the prevalent class D carbapenemases identified in Acinetobacter species. One OXA-23 in M. morganii and one OXA-48 in K. pneumoniae were also identified. Among class C β-lactamases CMY, ACT/MIR, DHA, and FOX were detected. The in vitro activity of ceftazidime-avibactam by E-test methodology was tested with minimal inhibitory concentrations (MIC) of ≤3 μg/ml for 97.8% of all Enterobacteriaceae, MIC50/90 of 16/>256 μg/ml for carbapenem non-susceptible Acinetobacter, and 3/6 μg/ml for carbapenem non-susceptible Pseudomonas aeruginosa. Periodic surveillance of isolates to characterize current and emerging β-lactamase genotypes present in local isolates may help identify outbreak situations, provide assistance to infection control and antibiotic stewardship programs, and potentially improve patient outcomes.

关键词： Carbapenem Non-Susceptible Check-MDR CT103 XL Microarray β-Lactamase Detection Resistance Mechanisms Ceftazidime-Avibactam

急性冠状动脉综合征发生1个月后的生长分化因子15水平与主要出血风险增加相关

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中华高血压杂志 2017年第5期25卷 499-499页

作者： Lindholm D Hagstrm E james SK Becker RC Cannon CP Himmelmann A Katus HA maurer G López-Sendón JL Steg PG Storey RF Siegbahn A Wallentin L 刘莉叶鹏

用双重抗血小板治疗的急性冠状动脉综合征（acutecoronarysyndromes，ACS）患者在初次就诊测量的生长分化因子15（growthdifferentiationfactor-15，GDF-15）与大出血相关。

关键词：急性冠状动脉综合征生长分化因子风险出血抗血小板治疗水

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欧洲中央银行（ECB）

城市环境设计 2020年第4期 162-173页

作者：沃尔夫·狄·普瑞克斯 Magdalena Baczkowska Markus Baumann Michael Beckert Johannes Behrens Hilde Benda Marcelo Bernardi Nico Boyer Jan Brosch Timo Carl Anna Rita Cedroni Jasmin Dieterle Sabrina Dlugosch Jan Ruben Fischer Brigitte Fuchs Sergio Gonzales Gesine G?rlich Martin Gruber Guthu Hallstein Sebastian Haffner Simone Hainz Sascha Hempel Rob Henderson Emanuele Iacono Martin Jelinek Rashmi Krishna Jois Ivana Jug Frank Pascal Kaul Matt Kirkham Daniela Kr?hnert Bernward Krone Christian Labud Anke Lammert Monika Lyzyczka Steven M Christian Maeder Dimitra Mamou Ariane Marx Christoph maurer Matthias Niemeyer Martin Oberascher Ross Olson Renate Ott Gerhard Pfeiler Ellen Pietrzyk james Pike Robert Pippan Jakob Przybylo Anna Ptaszynska Stephanie Rathgeber Carmen Renz Salome Reves Donna Riedel Akvile Rimantaite Pete Rose Penelope Rüttimann Stefan Rutzinger Oliver Sachse Kristina Schinegger Benjamin Schmidt Marita Schnepper Thomas Siegl Ebru Simsek-Lenk Denise Sokolowski Augustin Solorzano Anja Sorger Andrea St?llenwerk Ernst Stockinger Crystal K.H Tang Jürgen Tiltmann Markus Tritthart Josef Tr?ster Günther Weber Andreas Weissenbach Clemens Werb Judith Werkh?user Markus Wings Eva Wolf Barbara Zeleny Thomas Zengger Zeyneb Badur Fabien Barthelemey Oliver Cassik Alejandro Corena Alexander Daxb?ck Mario Dign?ss Helmut Fr?tscher Annegret Haider Christian Halm Gregor Kassl Gernot K?fer Alexander Laber Anita Lischka Rangel Malinov Oliver Martinz Philipp Munz Barbara Roller Nicole Rumpler Wolfgang Ruthensteiner Stefan Salchinger Stefan Schadenb?ck Thomas Schwed Hannes Schwed Eckart Schwerdtfeger Sylvia Spernbauer Christoph Treberspurg Johannes Weigl Paul Raftery European Central Bank/RobertMetsch Markus Pillhofer

项目大事记/CHRONOLOGY竞赛/Competition:第一阶段/Phase 1:2003;第二阶段/Phase 2:2003-2004;修改阶段/Revision Phase:2004;优化阶段/Optimization Phase:2005规划设计起始时间/Start of Planning:2005前期工程/Preliminary Site Works:2008主体施工/Main Construction Works:2010竣工/Completion:2014项目参数/PROJECT DATA用地面积/Site Area:120 000m2建筑毛面积/Gross Floor Area:185 000m2

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