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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 joshua j.Kas Fernando D.Vila john 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 Project *** 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 Project,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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Author Correction:Automated generation and ensemblelearned matching of X-ray absorption spectra

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npj Computational Materials 2018年第1期4卷 477-477页

Correction to:npj Computational Materials https://***/10.1038/s41524-018-0067-x,published online 20 March 2018 The following text has been added to the Acknowledgements section:“*** support from the National Science ... 详细信息

关键词： matching knowledge ensemble

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Targeting TrkB–PSD-95 coupling to mitigate neurological disorders

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Neural Regeneration Research 2025年第3期20卷 715-724页

作者： Xin Yang Yu-Wen Alvin Huang john Marshall Department of Molecular Biology Cell Biology and BiochemistryBrown UniversityProvidenceRIUSA Department of Neurology Warren Alpert Medical School of Brown UniversityProvidenceRIUSA Center for Translational Neuroscience Robert J.and Nancy D.Carney Institute for Brain Science and Brown Institute for Translational ScienceBrown UniversityProvidenceRIUSA

Tropomyosin receptor kinase B(TrkB)signaling plays a pivotal role in dendritic growth and dendritic spine formation to promote learning and *** activity-dependent release of brain-derived neurotrophic factor at synapses binds to pre-or postsynaptic TrkB resulting in the strengthening of synapses,reflected by long-term ***,the association of postsynaptic density protein-95 with TrkB enhances phospholipase Cγ-Ca^(2+)/calmodulin-dependent protein kinaseⅡand phosphatidylinositol 3-kinase-mechanistic target of rapamycin signaling required for long-term *** this review,we discuss TrkB-postsynaptic density protein-95 coupling as a promising strategy to magnify brain-derived neurotrophic factor signaling towards the development of novel therapeutics for specific neurological disorders.A reduction of TrkB signaling has been observed in neurodegenerative disorders,such as Alzheimer's disease and Huntington's disease,and enhancement of postsynaptic density protein-95 association with TrkB signaling could mitigate the observed deficiency of neuronal connectivity in schizophrenia and *** with brain-derived neurotrophic factor is problematic,due to poor pharmacokinetics,low brain penetration,and side effects resulting from activation of the p75 neurotrophin receptor or the truncated TrkB.T1 *** TrkB agonists and antibodies that activate TrkB are being intensively investigated,they cannot distinguish the multiple human TrkB splicing isoforms or cell type-specific *** TrkB–postsynaptic density protein-95 coupling provides an alternative approach to specifically boost TrkB signaling at localized synaptic sites versus global stimulation that risks many adverse side effects.

关键词： Angelman syndrome autism brain-derived neurotrophic factor depression neurodegenerative disorder neurodevelopmental disorder postsynaptic density protein-95 synaptic plasticity TrkB

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Financial Accounting Information for Decisions john j. Wild 3rd ed.

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2005年

作者： john j. Wild

"Krispy Kreme 2003 annual report" inserted.

ISBN: (数字)0072843179

ISBN: (纸本)0072843179

"Krispy Kreme 2003 annual report" inserted.

关键词： Accounting.

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Identification of the preferentially targeted proteins by carbamylation during whole lens incubation by using radio-labelled potassium cyanate and mass spectrometry

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International journal of Ophthalmology(English edition) 2010年第2期3卷 104-111页

作者： john j Harding Nuffield Laboratory of Ophthalmology University of OxfordJohn Radcliffe HospitalHeadingtonOxfordUK

AIMTo attempt to identify the primary targets of carbamylation in bovine lenses incubated under physiological condition.

关键词： carbamylation cyanate cataract identification lens mass spectrometry post-translational modification ξ-crystallin

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Field observations of putative bone-based fluorescence in a gecko

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Current Zoology 2018年第3期64卷 319-320页

作者： john j, SLOGGETT Maastricht Science Programme Maastricht University P.O. Box 616 6200 MD Maastricht The Netherlands

A diversity of animals are biofluorescent, absorbing shortwavelength electromagnetic radiation, and re-emitting it at longer wavelengths, giving a distinctive pattern （Lagorio et al. 2015）. Among terrestrial organisms, biofluorescence has been commonly recorded in arthropods, but rarely from vertebrates （Lagorio et al. 2015）. It has long been known from parrots （Hausmann et al. 2003） and has recently been recorded from a frog （Taboada et al. 2017） and from chameleons （Chamaeleonidae： Protzel et al. 2018）.

关键词： biofluorescence bone Chondrodactylus bibronii Gekkonidae signaling Squarnata

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Apoptosis and DNA damage in human spermatozoa

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Asian journal of Andrology 2011年第1期13卷 36-42页

作者： R john Aitken Adam j Koppers ARC Centre of Excellence in Biotechnology and Development Priority Research Centre in Reproductive Science Discipline of Biological Sciences School of Environmental and Life Sciences University of Newcastle Callaghan NSW 2308 Australia Department of Anatomy and Developmental Biology School of Biomedical Sciences Monash University Clayton VIC 3800 Australia

DNA damage is frequently encountered in spermatozoa of subfertile males and is correlated with a range of adverse clinical outcomes including impaired fertilization, disrupted preimplantation embryonic development, increased rates of miscarriage and an enhanced risk of disease in the progeny. The etiology of DNA fragmentation in human spermatozoa is closely correlated with the appearance of oxidative base adducts and evidence of impaired spermiogenesis. We hypothesize that oxidative stress impedes spermiogenesis, resulting in the generation of spermatozoa with poorly remodelled chromatin. These defective cells have a tendency to default to an apeptotic pathway associated with motility loss, caspase activation, phosphatidylserine exteriorization and the activation of free radical generation by the mitochondria. The latter induces lipid peroxidation and oxidative DNA damage, which then leads to DNA fragmentation and cell death. The physical architecture of spermatozoa prevents any nucleases activated as a result of this apoptotic process from gaining access to the nuclear DNA and inducing its fragmentation. It is for this reason that a majority of the DNA damage encountered in human spermatozoa seems to be oxidative. Given the important role that oxidative stress seems to have in the etiology of DNA damage, there should be an important role for antioxidants in the treatment of this condition. If oxidative DNA damage in spermatozoa is providing a sensitive readout of systemic oxidative stress, the implications of these findings could stretch beyond our immediate goal of trying to minimize DNA damage in spermatozoa as a prelude to assisted conception therapy.

关键词： apoptosis DNA damage oxidative stress spermatozoa

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Particulate matter and metals partitioning in highway rainfall-runoff

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Frontiers of Environmental Science & Engineering 2010年第1期4卷 35-46页

作者： Gaoxiang YING john j.SANSALONE Environmental Engineering Sciences University of Florida108 Black HallGainesvilleFL 32611USA

This study investigated the particulate matter(PM)and metals in highway dry deposition and rainfallrunoff as a function of hydrologic transport and settling on an event *** were differentiated as mass-limited(ML)and flow-limited(FL).Results indicate that unique and separate suspended sediment concentration(SSC)relationships with turbidity occurred for ML and FL *** minutes of quiescent settling produced a single SSC-turbidity relationship for all *** events transport higher proportions of settleable and sediment PM while FL events transported relatively higher suspended *** batch clarification with one hour of settling,ML events had generally higher treatment efficiencies compared to FL events for the same settling *** dry deposition PM was hetero-disperse and coarse(d50 m=304µm).Results indicate that the acidic rainfall is not a significant contributor to metals in runoff but is capable of leaching metals from dry deposition PM into *** in retained runoff resulted in a particulate-bound predominance for most metals except Ca and *** the finer fraction of dry deposition PM(75µm).

关键词： stormwater particulate matter(PM) turbidity suspended sediment concentration(SSC) unit operations metals dry deposition acid rain

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Society the basics john j. Macionis.

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2006年

作者： john j. Macionis.

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Importance of Quaternary research to society

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Episodes 2008年第2期31卷 203-206页

作者： john j. Clague Cenlre for Natural Hazard Research Simon Fraser University Burnaby BC Canada V5A 1S6

The Quaternary Period, although only an instant in the 4.5 billion year expanse of geologic time, is disproportionately important because it is the interval during which humans evolved and because it includes the present. Events of the Quaternary are preserved in sediments, ice sheets, and landforms with a greater degree of completeness and temporal resolution than those of any earlier period of comparable length. Studies of these historical and environmental archives continue to provide the essential context that allows scientists to evaluate what is happening with Earth＇s climate today and to clarify our vulnerability to hazardous natural processes, for example earthquakes, tsunami, volcanic eruptions, floods, and landslides.

关键词：地质学科学研究第四纪地质年代

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