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AFLOW-XtalFinder:a reliable choice to identify crystalline prototypes

npj Computational Materials 2021年第1期7卷 264-283页

作者： David Hicks Cormac Toher denise CFord Frisco Rose carlo de santo Ohad Levy Michael J.Mehl Stefano Curtarolo department of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA Center for Autonomous Materials design Duke UniversityDurhamNC 27708USA department of Physics NRCNP.O.Box 9001Beer-Sheva 84190Israel

The accelerated growth rate of repository entries in crystallographic databases makes it arduous to identify and classify their prototype *** open-source AFLOW-XtalFinder package was developed to solve this *** symbolically maps structures into standard designations following the AFLOW Prototype Encyclopedia and calculates the internal degrees of freedom consistent with the International Tables for *** ensure uniqueness,structures are analyzed and compared via symmetry,local atomic geometries,and crystal mapping techniques,simultaneously grouping them by *** software(i)distinguishes distinct crystal prototypes and atom decorations,(ii)determines equivalent spin configurations,(iii)reveals compounds with similar properties,and(iv)guides the discovery of unexplored *** operations are accessible through a Python module ready for workflows,and through command line *** the 4+million compounds in the *** repositories are mapped to their ideal prototype,allowing users to search database entries via symbolic ***,15,000 unique structures—sorted by prevalence—are extracted from the AFLOW-ICSD catalog to serve as future prototypes in the Encyclopedia.

关键词： Python symbolic crystalline

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VEDRETTA DI PISGANA (GRUPPO deLL'ADAMELLO) GEOMORFOLOGIA E VARIAZIONI OLOCENICHE deLLA FRONTE

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Natural Disaster Reduction in China 1989年第1期 5-34页

作者： carlo BARONI ALBERTO CARTON Museo Civico di Scienze Naturali di Brescia. Istituto di Geologia Università di Modena.

La V. Narcanello è caratterizzata, nella sua parte sommitale, dalla Vedretta di Pisganae dall’apparato morenico della sua porzione occidentale, presso il quale sono maggiormente conservatele evidenze delle variazioni oloceniche. Sulla base di osservazioni morfologiche, stratigrafiche, tessiturali,dello stato di aherazione dei depositi, sull’osservazione del grado di lichenizzazione, dello sviluppo deisuoli e di date 14C, sono state differenziate le varie morene. Un’avanzata olocenica del ghiacciaio diPisgana occidentale, attribuibile al Neoglaciale, è stata individuata sulla base di due date 14C che inqua-drano l’evento in un periodo compreso tra 3350/3086 e 2706/2207 anni dal presente. Dall’inizio delXX sec. ad oggi, il ghiacciaio di Pisgana occidentale ha santo un generale ritiro di circa 1000 m, conbrevi e limitati periodi di riavanzata, il più cospicuo dei quali si coloca trail 1939 ed il 1941 （circa40 m）. A questa nota è allegata una carta geomorfologica dell’alta V. *** of Pisgana （Adamello Group）. Geomorphology and Holocene front *** Vedretta of Pisgana is located in the upper Narcanello Valley and it terminates with three distinctfronts. The western tongue is the best developed and it deposited several moraines which document Holo-cene front variations. Late Glacial and Holocene moraines of the Narcanello Valley have been differentia-ted on the basis of morphological, stratigraphical, textural observations, （14）C dates and of the weathe-ring degree of the glacial deposits as well as lichenization and soil development. From the left side ofNarcanello Valley comes the oldest 14C date so far obtained in the Adamello Group. A buried soil foundat 2545 m a.s.l, between two lateral moraines, Late Glacial and Holocene respectively, yielded an ageof 6600 ± 100 14C yr BP （GX-14711）. In the same area two dates bracket a Neoglacial advance ofthe western portion of the Vedretta of Pisgana.

关键词：刀口

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Food Habits and Distribution of the Lake Taal Sea Snake(Hydrophis semperi Garman 1881) and the Sympatric Little File Snake(Acrochordus granulatus Schneider 1799) in Lake Taal, Philippines

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Asian Herpetological Research 2014年第4期5卷 255-262页

作者： Vhon Oliver S.GARCIA Rey Donne S.PAPA Jonathan carlo A.BRIONES Norman MENDOZA Noboru OKUDA Arvin C.DIESMOS The Graduate School University of Santo Tomas Research Center for the Natural and Applied Sciences University of Santo Tomas department of Biological Sciences University of Santo Tomas department of Science and Technology Philippine Nuclear Research Institute Center for Ecological Research Kyoto University Herpetology Section Zoology Division National Museum of the Philippines

Our knowledge about the food habits of sea snakes and how it is associated with their distribution has seen much development through its description across a number of species available through published literature except for the key threatened species such asHydrophis semperi. This paper aims to describe the food habits ofH. semperi through gut content and stable isotope analyses. We also compared data with the Little File Snake,Acrochordus granulatus, sympatric withH. *** captures ofH. semperi suggest that the sea snake tends to occur in the littoral zones and the shallower portions of the limnetic zone. Gut content analysis ofH. semperi have shown that gobies and eels are primary prey items. Halfbeaks （Family Hemiramphidae） were recorded as one of the Lake Taal Sea Snake＇s prey items which is considered as a new prey record for sea snakes. These extracted gut contents are conifrmed to be the temporal food preference ofH. semperi given our detected stable isotope signatures. It appears thatA. granulatus and H. semperi share common prey items suggesting possible diet overlap and resource *** study reports the ifrst account of the endemic Lake Taal Sea Snake＇s distribution and food habits which poses implications towards its conservation as it occurs in a restricted ecosystem that has undergone considerable habitat alteration.

关键词： freshwater diet feeding Hydrophis semperi Hydrophiidae

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Clinical and economic impact of infliximab one-hour infusion protocol in patients with inflammatory bowel diseases:A multicenter study

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World Journal of Gastrointestinal Pharmacology and Therapeutics 2017年第2期8卷 131-136页

作者： Anna Viola Giuseppe Costantino Antonino carlo Privitera Fabrizio Bossa Angelo Lauria Laurino Grossi Maria Beatrice Principi Nicola della Valle Maria Cappello Gastroenterology and Hepatology Section Dipartimento Biomedico di Medicina Interna e Specialistica University of Palermo IBD Unit Dipartimento di Medicina Interna e Terapia Medica University of Messina IBD and PelvicF loor Unit Azienda Ospedaliera per l’Emergenza Ospedale Cannizzaro Gastroenterology Section Casa Sollievo della Sofferenza S. Giovanni Rotondo Gastroenterology and Endoscopy Unit A.O.Bianchi-Melacrino-Morelli Fisiopatologia Digestiva Ospedale Spirito santo Gastroenterology Section Gastroenterologia

AIM To assess the impact of short infliximab(IFX) infusion on hospital resource utilization and *** All inflammatory bowel diseases(IBD) patients who received IFX 1 h infusion from March 2007 to September 2014 in eight centers from Southern Italy were included in the analysis. demographic, clinical and infusion related data were collected. The potential benefits related to the short infusion protocol were assessed both in terms of time saving and increased infusion unit capacity. In addition, indirect patient-related cost savings were *** One hundred and twenty-five patients were recruited(64 with ulcerative colitis and 61 with Crohn's disease). Median duration of disease was of 53 mo and mean age of pts at diagnosis was of 34 years(SD: ± 13). Adverse infusion reactions were reported in less than 4% both before and after short infusion. The total number of infusions across the selected centers was of 2501(30.5% short infusions). In the analyzed cohort, 1143 h were saved(762 in the infusion and 381 in observation phases) through the rapid IFX infusion protocol. This time saving(-15% compared to the standard protocol in infusion phase) represents, from the hospital perspective, an opportunity to optimize infusion unit capacity by allocating the saved time in alternative cost-effective treatments. This is the case of opportunity cost that represents the value of forgone benefit which could be obtained from a resource in its next-best alternative use. Hence, an extra hour of infusion in the case of standard 2-h IFX represents a loss in opportunity to provide other cost effective services. The analysis showed that the short infusion increased the infusion units capacity up to 50% on days when the IFX infusions were scheduled(infusion phase). Furthermore, the analysis showed that the short IFX infusion protocol leads to time savings also in the post-infusion phase(observation) leading to a time saving of 10% on average among the analyzed centers. F

关键词： Infliximab One-hour infusion Cost savings Economic impact Multicenter study

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Observatory science with eXTP

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Science China(Physics,Mechanics & Astronomy) 2019年第2期62卷 97-138页

作者： Jean J.M.in 't Zand Enrico Bozzo JinLu Qu Xiang-Dong Li Lorenzo Amati Yang Chen Immacolata Donnarumma Victor Doroshenko Stephen A.Drake Margarita Hernanz Peter A.Jenke Thomas J.Maccarone Simin Mahmoodifar Domitilla de Martino Alessandra de Rosa Elena M.Rossi Antonia Rowlinson Gloria Sala Giulia Stratta Thomas M.Tauris Joern Wilms XueFeng Wu Ping Zhou Iván Agudo Diego Altamirano Jean-Luc Atteia Nils A.andersson M.Cristina Baglio David R.Ballantyne Altan Baykal Ehud Behar Tomaso Belloni Sudip Bhattacharyya Stefano Bianchi Anna Bilous Pere Blay Joao Braga Sφren Brandt Edward F.Brown Niccolo Bucciantini Luciano Burderi Edward M.Cackett Riccardo Campana Sergio Campana Piergiorgio Casella Yuri Cavecchi Frank Chambers Liang Chen Yu-Peng Chen Jér?me Chenevez Maria Chernyakova ChiChuan Jin Riccardo Ciolfi Elisa Costantini Andrew Cumming Antonino D'Aì Zi-Gao Dai Filippo D'Ammando Massimiliano de Pasquale Nathalie degenaar Melania del santo Valerio D'Elia Tiziana Di Salvo Gerry Doyle Maurizio Falanga XiLong Fan Robert D.Ferdman Marco Feroci Federico Fraschetti Duncan K.Galloway Angelo F.Gambino Poshak Gandhi MingYu Ge Bruce Gendre Ramandeep Gill Diego G?tz Christian Gouiffès Paola Grandi Jonathan Granot Manuel Güdel Alexander Heger Craig O.Heinke Jeroen Homan Rosario Iaria Kazushi Iwasawa Luca Izzo Long Ji Peter G.Jonker Jordi José Jelle S.Kaastra Emrah Kalemci Oleg Kargaltsev Nobuyuki Kawai Laurens Keek Stefanie Komossa Ingo Kreykenbohm Lucien Kuiper devaky Kunneriath Gang Li En-Wei Liang Manuel Linares Francesco Longo FangJun Lu Alexander A.Lutovinov denys Malyshev Julien Malzac Antonios Manousakis Ian McHardy Missagh Mehdipour YunPeng Men Mariano Méndez Roberto P.Mignani Romana Mikusincova M.Coleman Miller Giovanni Miniutti Christian Motch Joonas Nättilä Emanuele Nardini Torsten Neubert Paul T.O'Brien Mauro Orlandini Julian P.Osborne Luigi Pacciani Stéphane Paltani Maurizio Paolillo Iossif E.Papadakis Biswajit Paul Alberto Pellizzoni Uria Peretz Miguel A.Pérez Torres Emanuele Perinati Chanda Prescod-Weinstein Pablo Reig SRON Netherlands Institute for Space Research department of Astronomy University of Geneva Key Laboratory for Particle Astrophysics Institute of High Energy PhysicsChinese Academy of Sciences School of Astronomy and Space Science Nanjing University INAF-IASF Bologna ASI Via del Politecnico snc INAF-Istituto di Astrofisica e Planetologie Spaziali Institut für Astronomie und Astrophysik Tübingen Universit?t Tübingen NASA Goddard Space Flight Center ICREA&Institute of Space Sciences(IEEC-CSIC) Campus UABCarrer de Can Magrans CSPAR SPA University of Alabama in Huntsville department of Physics Texas Tech University INAF Osservatorio Astronomico di Capodimonte Leiden Observatory Leiden University Anton Pannekoek Institute University of Amsterdam ASTRON Netherlands Institute for Radio Astronomy Universitat Politecnica de Catalunya(UPC-IEEC) Universitádegli Studi di Urbino‘carlo Bo’ Max-Planck-Institut für Radioastronomie Dr.Karl-Remeis-Sternwarte and Erlangen Centre for Astroparticle Physics(ECAP) Friedrich Alexander Universit?t Erlangen-Nurnberg Purple Mountain Observatory Chinese Academy of Sciences Instituto de Astrofysíca de Andalucia-CSIC department of Physics and Astronomy University of Southampton IRAP Universitéde ToulouseCNRSUPSCNES Mathematical Sciences and STAG Research Centre University of Southampton New York University Abu Dhabi Center for Relativistic Astrophysics School of PhysicsGeorgia Institute of Technology Physics department Middle East Technical University department of Physics Technion-Israel Institute of Technology INAF Osservatorio Astronomico di Brera Tata Institute of Fundamental Research Dipartimento di Matematica e Fisica Universitàdegli Studi Roma Tre Instituto de Astrofísica de Canarias Instituto Nacional de Pesquisas Espaciais-INPE National Space Institute Technical University of Denmark(DTU Space) department of Physics and Astronomy Michigan State University INAF Osservatorio Astrofisico di Arcetri Dipartimento di Fisica Universitádegli Studi di Cagliari department of Physics and A

In this White Paper we present the potential of the enhanced X-ray Timing and Polarimetry(eXTP) mission for studies related to Observatory Science targets. These include flaring stars, supernova remnants, accreting white dwarfs, low and high mass X-ray binaries, radio quiet and radio loud active galactic nuclei, tidal disruption events, and gamma-ray bursts. eXTP will be excellently suited to study one common aspect of these objects: their often transient nature. developed by an international Consortium led by the Institute of High Energy Physics of the Chinese Academy of Science, the eXTP mission is expected to be launched in the mid 2020s.

关键词： space research in struments nuclear astrophysics flare stars accretion and accretion disks mass loss and stellar winds cataclysmic binaries X-ray binaries supernova remnants active galactic nuclei X-ray bursts gamma-ray bursts gravitational waves

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