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Automated generation and ensemble-learned matching of X-ray absorption spectra

npj.Computational Materials 2018年第1期4卷 566-574页

作者： Chen Zheng Kiran Mathew Chi Chen Yiming Chen Hanmei Tang alan Dozier j.shua j.Kas Fernando D.Vila j.hn j.Rehr Louis F.j.Piper Kristin A.Persson Shyue Ping Ong Department of NanoEngineering University of California San Diego9500 Gilman DriveMail Code 0448La JollaCA 92093-0448USA Department of Materials Science University of California BerkeleyBerkeleyCA 94720USA Division of Applied Research and Technology National Institute for Occupational Safety and HealthCenters for Disease ControlCincinnatiOH 45226USA Department of Physics University of WashingtonSeattleWA 98195USA Department of Physics Applied Physics and AstronomyBinghamton UniversityBinghamtonNY 13902USA Materials Science&Engineering Binghamton UniversityBinghamtonNY 13902USA

X-ray absorption spectroscopy(XAS)is a widely used materials characterization technique to determine oxidation states,coordination environment,and other local atomic structure *** of XAS relies on comparison of measured spectra to reliable reference ***,existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry *** this work,we report the development of XASdb,a large database of computed reference XAS,and an Ensemble-Learned Spectra IdEntification(ELSIE)algorithm for the matching of *** currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra(XANES)for over 40,000 materials from the open-science Materials Proj.ct *** discuss a high-throughput automation framework for FEFF calculations,built on robust,rigorously benchmarked *** is a computer program uses a real-space Green’s function approach to calculate X-ray absorption *** will demonstrate that the ELSIE algorithm,which combines 33 weak“learners”comprising a set of preprocessing steps and a similarity metric,can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal *** XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Proj.ct,providing an important new public resource for the analysis of XAS to all materials ***,the ELSIE algorithm itself has been made available as part of veidt,an open source machine-learning library for materials science.

关键词： matching XANES ensemble

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Ultrasonographic visualization of lower eyelid structures and dynamic motion analysis

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International j.urnal of Ophthalmology(English edition) 2013年第5期6卷 592-595页

作者： Mohammad Taher Raj.bi Konstantinos Papageorgiou Shu-Hong Chang Imran j.rullazada Mehryar Taban Catherine j.Hwang Robert alan Goldberg Division of Orbital and Ophthalmic Plastic Surgery Jules Stein Eye InstituteUniversity of California-Los Angeles Eye Research Center Farabi Eye HospitalTehran University of Medical Sciences

AIMTo define the ultrasonographic structure of normal lower eyelid anatomic compartments and their spacial relationship in dynamic motion.

关键词： lower eyelid ultrasonography dynamic motion analysis

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Effects of amyloid precursor protein peptide APP96-110,alone or with human mesenchymal stromal cells,on recovery after spinal cord inj.ry

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Neural Regeneration Research 2022年第6期17卷 1376-1386页

作者： Stuart I.Hodgetts Sarah j.Lovett D.Baron-Heeris A.Fogliani Marian Sturm C.Van den Heuvel alan R.Harvey School of Human Sciences The University of Western Australia(UWA)PerthWAAustralia Perron Institute for Neurological and Translational Science PerthWAAustralia Cell and Tissue Therapies WA(CTTWA) Royal Perth HospitalPerthWAAustralia Adelaide Medical School Faculty of Health and Medical SciencesThe University of AdelaideAdelaideSAAustralia

Delivery of a peptide(APP96-110),derived from amyloid precursor protein(APP),has been shown to elicit neuroprotective effects following cerebral stroke and traumatic brain *** this study,the effect of APP96-110 or a mutant version of this peptide(mAPP96-110)was assessed following moderate(200 kdyn,(2 N))thoracic contusive spinal cord inj.ry(SCI)in adult Nude *** received a single tail vein inj.ction of APP96-110 or mAPP96-110 at 30 minutes post-SCI and were then assessed for functional improvements over the next 8 weeks.A cohort of animals also received transplants of either viable or non-viable human mesenchymal stromal cells(hMSCs)into the SC lesion site at one week post-inj.ry to assess the effect of combining intravenous APP96-110 delivery with hMSC *** were perfused 8 weeks post-SCI and longitudinal sections of spinal cord analyzed for a number of factors including hMSC viability,cyst size,axonal regrowth,glial reactivity and macrophage *** of sensorimotor function revealed occasional significant differences between groups using Ladderwalk or Ratwalk tests,however there were no consistent improvements in functional outcome after any of the ***96-110 alone,and APP96-110 in combination with both viable and non-viable hMSCs significantly reduced cyst size compared to SCI *** treatments with donor hMSCs also significantly increased βIII tubulin^(+),glial fibrillary acidic protein(GFAP^(+))and laminin+expression,and decreased ED1^(+)expression in *** preliminary study demonstrates that intravenous delivery of APP96-110 peptide has selective,modest neuroprotective effects following SCI,which may be enhanced when combined with hMSC ***,the effects are less pronounced and less consistent compared to the protective morphological and cognitive impact that this same peptide has on neuronal survival and behaviour after stroke and traumatic brain *** while the efficacy of a

关键词： amyloid precursor protein cell transplantation combination contusion functional recovery mesenchymal stromal cells neuroprotection regeneration spinal cord inj.ry tissue sparing

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Surveillance for highly pathogenic avian influenza in wild birds in the USA

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Integrative Zoology 2009年第4期4卷 426-439页

作者： Thomas j.DELIBERTO Seth R.SWAFFORD Dale L.NOLTE Kerri PEDERSEN Mark W.LUTMAN Brandon B.SCHMIT j.hn A.BAROCH Dennis j.KOHLER alan FRANKLIN United States Department of Agriculture Animal and Plant Health Inspection ServiceWildlife ServicesNational Wildlife Disease ProgramFort CollinsUSA United States Department of Agriculture Animal and Plant Health Inspection ServiceWildlife ServicesNational Wildlife Research CenterFort CollinsColoradoUSA

As part of the USA’s National Strategy for Pandemic Influenza,an Interagency Strategic Plan for the Early Detection of Highly Pathogenic H5N1 Avian Influenza in Wild Migratory Birds was developed and ***1April2006 through 31 March 2009,261946 samples fromwild birds and 101457 wild bird fecalsamples were collected in the USA;no highly pathogenic avian influenza was *** United States Department of Agriculture,and state and tribal cooperators accounted for 213115(81%)of the wild bird samples collected;31,27,21 and 21%of the samples were collected from theAtlantic,Pacific,Central and Mississippi flyways,*** than 250 species of wild birds in all 50 states were *** maj.rity of wild birds(86%)were dabbling ducks,geese,swans and *** apparent prevalence of low pathogenic avian influenza viruses during biological years 2007 and 2008 was 9.7 and 11.0%,*** apparent prevalence of H5 and H7 subtypes across all species sampled were 0.5 and 0.06%,*** pooled fecal samples(n=101539)positive for low pathogenic avian influenza were 4.0,6.7 and 4.7%for biological years 2006,2007 and 2008,*** highly pathogenic early detection system for wild birds developed and implemented in the USA represents the largest coordinated wildlife disease surveillance system ever *** effort provided evidence that wild birds in the USA were free of highly pathogenic avian influenza virus(given the expected minimum prevalence of 0.001%)at the 99.9%confidence level during the surveillance period.

关键词： disease surveillance highly pathogenic avian influenza H5N1 morbidity and mortality wild bird.

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Finding biomarkers of experience in animals.

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畜牧与生物技术杂志(英文版) 2024年第3期 925页

作者： Sarah Babington alan j.Tilbrook Shane K.Maloney j.ll N.Fernandes Tamsyn M.Crowley Luoyang Ding Archa H.Fox Song Zhang Elise A.Kho Daniel Cozzolino Timothy j.Mahony Dominique Blache

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High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity

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npj.Computational Materials 2023年第1期9卷 2231-2242页

作者： Meiirbek Islamov Hasan Babaei Ryther Anderson Kutay B.Sezginel j.ffrey R.Long alan j.H.McGaughey Diego A.Gomez-Gualdron Christopher E.Wilmer Department of Chemical&Petroleum Engineering University of PittsburghPittsburghPA 15261USA Department of Chemistry University of CaliforniaBerkeleyBerkeleyCA 94720USA Department of Chemical and Biological Engineering Colorado School of MinesGoldenCO 80401USA Department of Chemical and Biomolecular Engineering University of CaliforniaBerkeleyBerkeleyCA 94720USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA Department of Mechanical Engineering Carnegie Mellon UniversityPittsburghPA 15213USA Department of Electrical&Computer Engineering University of PittsburghPittsburghPA 15261USA

Thermal energy management in metal-organic frameworks(MOFs)is an important,yet often neglected,challenge for many adsorption-based applications such as gas storage and *** its importance,there is insufficient understanding of the structure-property relationships governing thermal transport in *** provide a data-driven perspective into these relationships,here we perform large-scale computational screening of thermal conductivity k in MOFs,leveraging classical molecular dynamics simulations and 10,194 hypothetical MOFs created using the ToBaCCo 3.0 *** found that high thermal conductivity in MOFs is favored by high densities(>1.0 g cm^(−3)),small pores(10 W m^(−1) K^(−1)),the structures of which we describe in additional detail.

关键词： conductivity thermal pores

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Characterization of a Liquid Crystal Stabilized Pharmaceutical Oil-in-Water Emulsion Optimized for Skin Delivery

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j.urnal of Cosmetics, Dermatological Sciences and Applications 2018年第4期8卷 207-217页

作者： Melinda j. Sutton David W. Osborne Kevin Dahl Victoria Bax G. alan Schick Department of Chemistry Missouri State University Springfield MO USA Dow Development Institute Petaluma CA USA KBI Biopharma Boulder CO USA

A moisturizing cream containing 25 wt% of an organic solvent, diethylene glycol monoethyl ether (DEGEE), is observed to be stabilized by an emulsifying wax blend of cetearyl alcohol, dicetyl phosphate, and ceteth-10 phosphate (tradename Crodafos CES). Polarized light microscopy indicates that the Crodafos CES helps to produce a liquid-crystal stabilized oil-in-water emulsion, which is physically stable for months under accelerated aging conditions and chemically stable over the full topical pH range of 3.5 to 9. Emulsion globule size in the cream is observed to be dependent on the degree of emulsifying wax neutralization, with the globule size decreasing with increasing cream pH. The superior solubilizing properties of DEGEE combined with the full pH range and liquid-crystal stabilizing properties of the Crodafos CES give this formulation the potential for a wide range of applications in the topical delivery of active pharmaceutical ingredients.

关键词： Pharmaceutical Emulsion Skin Delivery Liquid Crystal Stabilized Emulsion Polarized Light Microscopy Topical Formulation

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Handbook of proteolytic enzymes

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1998年

作者： ed. by alan j. Barrett Neil D. Rawlings j. Fred Woessner

本书演示了生物化学实验中仪器设备的正确使用、实验装置的科学搭建和规范操作等实验环节。全书精选了12个实验,内容涵盖糖、脂、蛋白质、核酸和酶等领域。

ISBN: (纸本)0120793709

关键词： Proteolytic enzymes

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Botryosphaeria, Neofusicoccum, Neoscytalidium and Pseudofusicoccum species associated with mango in Brazil

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Fungal Diversity 2013年第4期61卷 195-208页

作者： Marília W.Marques Nelson B.Lima Marcos A.de Morais j. Sami j.Michereff alan j.L.Phillips Marcos P.S.Câmara Departamento de Agronomia Universidade Federal Rural de Pernambuco52171-900 RecifeBrazil Departamento de Genética Universidade Federal de Pernambuco50732-970 RecifeBrazil Centro de Recursos Microbiológicos Departamento de Ciências da VidaFaculdade de Ciências e TecnologiaUniversidade Nova de Lisboa2829-516 CaparicaPortugal

Members of the Botryosphaeriaceae are well known fungi associated with dieback,canker and fruit rot on various hosts worldwide,including *** aim of this study was identify a large collection of Botryosphaeriaceae species associated with dieback and stem-end rot of mango in the semi-arid region of Northeastern Brazil,and compare the species in relation to mycelial growth,pathogenicity and virulence.A total of 115 isolates were sampled and based on morphology and DNA sequence data(ITS and EF1-α)seven taxa were identified,namely,Botryosphaeria dothidea,***,Fusicoccum fabicercianum,Neofusicoccum parvum,*** ***,Neoscytalidium dimidiatum and Pseudofusicoccum *** and *** were the most commonly isolated species,which represented 37%and 33%of all isolates *** is reported for the first time in association with mango diseases *** were significant differences among the species obtained in this study in relation to optimum temperature for mycelial growth and mycelial growth *** species were pathogenic on mango *** were significant differences in virulence among the species,with *** and *** being the most virulent species,while *** was the least virulent.

关键词： Botryosphaeriaceae Dieback Stem-end rot Mangifera indica Pathogenicity Virulence Phylogeny

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Geomorphic-centered Classification of Wetlands on the Qinghai-Tibet Plateau, Western China

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j.urnal of Mountain Science 2013年第4期10卷 632-642页

作者： GAO j.y LI Xi-lai Gary BRIERLEY alan CHEUNG YANG Yuan-wu School of Environment University of Auckland Private Bag 92019Auckland New Zealand College of Agriculture and Animal Husbandry Qinghai University

In this paper a geomorphic-centered system was proposed for classifying the wetlands on the Qinghai-Tibet Plateau in western China, where the flora comprises primarily grasses. Although the geomorphic properties (e.g., elevation and morphology) of wetlands form the primary criteria of classification, this system also takes hydrological processes into implicit consideration. It represents an improvement over the hydrogeomorphic perspective as the relative importance of the two components (wetness and landform) of wetlands is clearly differentiated. This geomorphic-centered perspective yields insights into the hydrogeomorphic dynamics of plateau wetlands while indicates their vulnerability to change and degradation indirectly. According to this geomorphic-centered perspective, all plateau wetlands fall into one of the seven types of alpine, piedmont, valley, terrace, floodplain, lacustrine, and riverine in three elevational categories of upland, midland, and lowland. Upland (alpine and piedmont) wetlands with the steepest topography are the most sensitive to change whereas midland (floodplain, terrace and valley) wetlands are less vulnerable to degradation owing to a high water reserve except terrace wetlands. They have a dry surface caused by infrequent hydrological replenishment owing to their higher elevation than the channel. Low lying (lacustrine and riverine) wetlands are the most resilient. The geomorphic-centered perspective developed in this paper provides a framework for improving recognition and management of wetlands on the Plateau. Resilient wetlands can be grazed more intensively without the risk of degradation. Fragile and vulnerable wetlands require careful managementto avoid degradation.

关键词： Plateau wetlands Geomorphieclassification Wetland vulnerability Qinghai-TibetPlateau

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