Jobs and Economic Development Impact (JEDI) User Reference Guide: Fast Pyrolysis Biorefinery Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yimin; Goldberg, Marshall

2015-02-01

This guide -- the JEDI Fast Pyrolysis Biorefinery Model User Reference Guide -- was developed to assist users in operating and understanding the JEDI Fast Pyrolysis Biorefinery Model. The guide provides information on the model's underlying methodology, as well as the parameters and data sources used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features and a discussion of how the results should be interpreted. Based on project-specific inputs from the user, the JEDI Fast Pyrolysis Biorefinery Model estimates local (e.g., county- or state-level) job creation, earnings, and output frommore » total economic activity for a given fast pyrolysis biorefinery. These estimates include the direct, indirect and induced economic impacts to the local economy associated with the construction and operation phases of biorefinery projects.Local revenue and supply chain impacts as well as induced impacts are estimated using economic multipliers derived from the IMPLAN software program. By determining the local economic impacts and job creation for a proposed biorefinery, the JEDI Fast Pyrolysis Biorefinery Model can be used to field questions about the added value biorefineries might bring to a local community.« less

Jobs and Economic Development Impact (JEDI) Model: Offshore Wind User Reference Guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lantz, E.; Goldberg, M.; Keyser, D.

2013-06-01

The Offshore Wind Jobs and Economic Development Impact (JEDI) model, developed by NREL and MRG & Associates, is a spreadsheet based input-output tool. JEDI is meant to be a user friendly and transparent tool to estimate potential economic impacts supported by the development and operation of offshore wind projects. This guide describes how to use the model as well as technical information such as methodology, limitations, and data sources.

JEDI Conventional Hydropower Model | Jobs and Economic Development Impact

Science.gov Websites

Economic Development Impacts (JEDI) Conventional Hydropower Model allows users to estimate economic development impacts from conventional hydropower projects and includes default information that can be

JEDI Marine and Hydrokinetic Power Model | Jobs and Economic Development

Science.gov Websites

Model The Jobs and Economic Development Impacts (JEDI) Marine Hydrokinetic Model allows users to estimate economic development impacts from marine hydrokinetic projects and includes default information

Assessment of the Value, Impact, and Validity of the Jobs and Economic Development Impacts (JEDI) Suite of Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Billman, L.; Keyser, D.

The Jobs and Economic Development Impacts (JEDI) models, developed by the National Renewable Energy Laboratory (NREL) for the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE), use input-output methodology to estimate gross (not net) jobs and economic impacts of building and operating selected types of renewable electricity generation and fuel plants. This analysis provides the DOE with an assessment of the value, impact, and validity of the JEDI suite of models. While the models produce estimates of jobs, earnings, and economic output, this analysis focuses only on jobs estimates. This validation report includes an introductionmore » to JEDI models, an analysis of the value and impact of the JEDI models, and an analysis of the validity of job estimates generated by JEDI model through comparison to other modeled estimates and comparison to empirical, observed jobs data as reported or estimated for a commercial project, a state, or a region.« less

Jobs and Economic Development Impact (JEDI) Model Geothermal User Reference Guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, C.; Augustine, C.; Goldberg, M.

2012-09-01

The Geothermal Jobs and Economic Development Impact (JEDI) model, developed through the National Renewable Energy Laboratory (NREL), is an Excel-based user-friendly tools that estimates the economic impacts of constructing and operating hydrothermal and Enhanced Geothermal System (EGS) power generation projects at the local level for a range of conventional and renewable energy technologies. The JEDI Model Geothermal User Reference Guide was developed to assist users in using and understanding the model. This guide provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data utilized in the model. This guide alsomore » provides basic instruction on model add-in features, operation of the model, and a discussion of how the results should be interpreted.« less

JEDI Concentrating Solar Power Model | Jobs and Economic Development Impact

Science.gov Websites

Economic Development Impacts (JEDI) Concentrating Solar Power Model allows users to estimate economic development impacts from concentrating solar power projects and includes default information that can be

JEDI for Advanced Users | Jobs and Economic Development Impact Models |

Science.gov Websites

NREL for Advanced Users JEDI for Advanced Users The Jobs and Economic Development Impact (JEDI discussion. Users with more experience with power generation projects and/or economic impact analysis can Economic Analysis provides data for more than 400 economic sectors. Advanced users can refer to these

Petroleum Refinery Jobs and Economic Development Impact (JEDI) Model User Reference Guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldberg, Marshall

The Jobs and Economic Development Impact (JEDI) models, developed through the National Renewable Energy Laboratory (NREL), are user-friendly tools utilized to estimate the economic impacts at the local level of constructing and operating fuel and power generation projects for a range of conventional and renewable energy technologies. The JEDI Petroleum Refinery Model User Reference Guide was developed to assist users in employing and understanding the model. This guide provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data utilized in the model. This guide also provides basic instruction on modelmore » add-in features, operation of the model, and a discussion of how the results should be interpreted. Based on project-specific inputs from the user, the model estimates job creation, earning and output (total economic activity) for a given petroleum refinery. This includes the direct, indirect and induced economic impacts to the local economy associated with the refinery's construction and operation phases. Project cost and job data used in the model are derived from the most current cost estimations available. Local direct and indirect economic impacts are estimated using economic multipliers derived from IMPLAN software. By determining the regional economic impacts and job creation for a proposed refinery, the JEDI Petroleum Refinery model can be used to field questions about the added value refineries may bring to the local community.« less

Jobs and Economic Development Impact (JEDI) Models | NREL

Science.gov Websites

estimate the economic impacts of constructing and operating power generation and biofuel plants at the local and state levels. Using JEDI, you can analyze the energy impacts of wind, biofuels, concentrating

The Jupiter Energetic Particle Detector Instrument (JEDI) Investigation for the Juno Mission

NASA Astrophysics Data System (ADS)

Mauk, B. H.; Haggerty, D. K.; Jaskulek, S. E.; Schlemm, C. E.; Brown, L. E.; Cooper, S. A.; Gurnee, R. S.; Hammock, C. M.; Hayes, J. R.; Ho, G. C.; Hutcheson, J. C.; Jacques, A. D.; Kerem, S.; Kim, C. K.; Mitchell, D. G.; Nelson, K. S.; Paranicas, C. P.; Paschalidis, N.; Rossano, E.; Stokes, M. R.

2017-11-01

The Jupiter Energetic Particle Detector Instruments (JEDI) on the Juno Jupiter polar-orbiting, atmosphere-skimming, mission to Jupiter will coordinate with the several other space physics instruments on the Juno spacecraft to characterize and understand the space environment of Jupiter's polar regions, and specifically to understand the generation of Jupiter's powerful aurora. JEDI comprises 3 nearly-identical instruments and measures at minimum the energy, angle, and ion composition distributions of ions with energies from H:20 keV and O: 50 keV to >1 MeV, and the energy and angle distribution of electrons from <40 to >500 keV. Each JEDI instrument uses microchannel plates (MCP) and thin foils to measure the times of flight (TOF) of incoming ions and the pulse height associated with the interaction of ions with the foils, and it uses solid state detectors (SSD's) to measure the total energy ( E) of both the ions and the electrons. The MCP anodes and the SSD arrays are configured to determine the directions of arrivals of the incoming charged particles. The instruments also use fast triple coincidence and optimum shielding to suppress penetrating background radiation and incoming UV foreground. Here we describe the science objectives of JEDI, the science and measurement requirements, the challenges that the JEDI team had in meeting these requirements, the design and operation of the JEDI instruments, their calibrated performances, the JEDI inflight and ground operations, and the initial measurements of the JEDI instruments in interplanetary space following the Juno launch on 5 August 2011. Juno will begin its prime science operations, comprising 32 orbits with dimensions 1.1×40 RJ, in mid-2016.

78 FR 25532 - Requested Administrative Waiver of the Coastwise Trade Laws: Vessel OCEAN JEDI; Invitation for...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-01

... Administrative Waiver of the Coastwise Trade Laws: Vessel OCEAN JEDI; Invitation for Public Comments AGENCY... entered into this docket is available on the World Wide Web at http://www.regulations.gov . FOR FURTHER... OCEAN JEDI is: Intended Commercial Use Of Vessel: ``The intended commercial use of Ocean Jedi is to...

von Willebrand factor, Jedi knight of the bloodstream.

PubMed

Springer, Timothy A

2014-08-28

When blood vessels are cut, the forces in the bloodstream increase and change character. The dark side of these forces causes hemorrhage and death. However, von Willebrand factor (VWF), with help from our circulatory system and platelets, harnesses the same forces to form a hemostatic plug. Force and VWF function are so closely intertwined that, like members of the Jedi Order in the movie Star Wars who learn to use "the Force" to do good, VWF may be considered the Jedi knight of the bloodstream. The long length of VWF enables responsiveness to flow. The shape of VWF is predicted to alter from irregularly coiled to extended thread-like in the transition from shear to elongational flow at sites of hemostasis and thrombosis. Elongational force propagated through the length of VWF in its thread-like shape exposes its monomers for multimeric binding to platelets and subendothelium and likely also increases affinity of the A1 domain for platelets. Specialized domains concatenate and compact VWF during biosynthesis. A2 domain unfolding by hydrodynamic force enables postsecretion regulation of VWF length. Mutations in VWF in von Willebrand disease contribute to and are illuminated by VWF biology. I attempt to integrate classic studies on the physiology of hemostatic plug formation into modern molecular understanding, and point out what remains to be learned. © 2014 by The American Society of Hematology.

First Results from the Jupiter Energetic Particle Detector Instrument (JEDI) Investigation Within the Magnetosphere and Over the Poles of Jupiter

NASA Astrophysics Data System (ADS)

Mauk, B.; Haggerty, D. K.; Paranicas, C.; Clark, G. B.; Kollmann, P.; Rymer, A. M.; Brown, L. E.; Jaskulek, S. E.; Schlemm, C. E.; Kim, C. K.; Nelson, K.; Bolton, S. J.; Bagenal, F.; Connerney, J. E. P.; Gladstone, R.; Kurth, W. S.; Levin, S.; McComas, D. J.; Valek, P. W.

2016-12-01

The Juno spacecraft first entered Jupiter's magnetosphere on 25 June 2016, but evidence for Jupiter's magnetospheric environment was first observed by the Jupiter Energetic Particle Detector Instrument (JEDI) as early as January 2016 in the form of leaking energetic particles observed over 1200 RJ away from Jupiter. JEDI is an energetic particle instrument designed to measure the energy, angular, and compositional distribution of energetic electrons ( 25 to > 700 keV) and ions (protons: 10 keV to > 1.5 MeV). A special set of channels for oxygen and sulfur extend up in energy to > 10 MeV. The JEDI instrument comprises three separate sensor heads, each with multiple (6) telescopes, in order to capture angular distributions of energetic particles over the poles of Jupiter as Juno rushes over auroral forms as narrow as < 80 km at a speed of up to 55 km/s. Since entering Jupiter's magnetosphere JEDI has observed both familiar, and some unfamiliar structures, including: 1) undulations along the dawn flank of Jupiter's magnetosphere possibly signaling the occurrence of Kelvin-Helmholz instability structures thought to play a role in coupling the solar wind energetics to the dynamics of Jupiter's magnetosphere, and 2) spiky electron transients with magnetic field-aligned angular distributions within the distant magnetodisc plasmas conjectured to be related to transient auroral forms observed at other times by the Hubble Space Telescope poleward of Jupiter's main aurora. A principal target of JEDI and other fields and particles instruments on Juno is the near-planet polar regions of Jupiter's space environment, never-before visited by spacecraft. These instruments were designed to determine the physics of auroral acceleration at Jupiter and the role that those processes play in enabling Jupiter to spin up and energize its vast magnetospheric space environment. The first polar pass is scheduled for 27 August 2016. In this report we present the first results from the JEDI

Juno JEDI high latitude snapshot of Earth's energetic charged particle distributions during the coordinated Juno spacecraft encounter with Earth

NASA Astrophysics Data System (ADS)

Paranicas, C.; Mauk, B.; Haggerty, D. K.; Schlemm, C.; Jaskulek, S.; Kim, C.; Brown, L. E.; Bagenal, F.; Thorne, R. M.

2013-12-01

NASA's Juno spacecraft will begin its orbit of Jupiter in mid-2016. During Juno's gravity assist encounter with Earth on October 9, 2013, the Jupiter Energetic Particle Detector Instrument (JEDI) will take measurements of the energetic electron and ion distributions at relatively high latitudes. These measurements will contribute substantially to a coordinated activity to obtain a comprehensive characterization of Earth's space environment during the encounter period. Here we present and describe the JEDI measurements and discuss them in the context of measurements taken at the same time, including those obtained by the Van Allen Probes mission. JEDI comprises three nearly identical energetic charged particle sensors. Each sensor detects energetic electrons (above 25 keV up to > 1000 keV) and energetic ions (about 20 keV to > 1 MeV for protons, and 50 keV to > 10 MeV for oxygen and sulfur) with high energy, time, and angular resolution. Two of the sensors are fans viewing almost entirely in the plane perpendicular to Juno's high-gain antenna. The third fan is perpendicular to this plane, so that combined with the spacecraft spin rate of about 2 rpm, nearly the whole sky is sampled every 30 s. During the gravitational assist encounter of Earth, JEDI obtains continuous data from about 3 days prior to closest approach through at least 2 weeks after closest approach. This will include data obtained outside and through the bow shock and magnetosheath, to deep within the magnetosphere. Due to the low flyby altitude of about 560 km, JEDI will operate its high voltage (thereby obtaining ion composition information) only outside of a few RE geocentric distances. Also, by using the so-called witness detectors, on one of the three sensors, the instrument is expected to obtain an integral channel measurement inside the radiation belts.

Interaction of Jovian energetic particles with moons and gas tori based on recent Juno/JEDI data

NASA Astrophysics Data System (ADS)

Kollmann, P.; Mauk, B.; Clark, G. B.; Paranicas, C.; Haggerty, D. K.; Rymer, A. M.; Bolton, S. J.; Connerney, J. E. P.; Levin, S.

2016-12-01

Juno is the first spacecraft in a polar orbit around Jupiter. It entered orbit in July 2016, will deliver the first science data from near Jupiter at the end of August, and pass very close to Jupiter 4 more times by December. We will use data from the three JEDI instruments onboard that measure ions and electrons in the tens of keV to MeV range while discriminating among ion species. Recording of the full energy and time-of-flight information of a subset of the detected particles will allow distinguishing foreground from contaminating background in many cases. Since Juno will be mostly at high latitudes, the JEDI measurements will differ from the measurements of previous missions that were mostly in the equatorial plane. The increasingly strong radiation environment inwards of Europa's orbit caused contamination and/or dead time effects in many of the previously flown particle instruments, which made it difficult to study this region with the existing data. We expect that Juno's unique orbit and the JEDI design will largely avoid these problems. During one hour of closest approach, Juno will be on magnetic field lines that map within the orbits of the Galilean moons. We will study the data in this region and analyze the intensity dropouts that are caused by the interaction between the particles that bounce along field lines and drift around the planet with the moons and associated gas and plasma tori. Also, we will analyze the rate of intensity change towards Jupiter that is determined by radial transport, potential local source processes, and the range of pitch angles that can reach the changing latitudes.

User Guide for the International Jobs and Economic Development Impacts Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keyser, David; Flores-Espino, Francisco; Uriarte, Caroline

The International Jobs and Economic Development Impacts (I-JEDI) model is a freely available economic model that estimates gross economic impacts from wind, solar, and geothermal energy projects for several different countries. Building on the original JEDI model, which was developed for the United States, I-JEDI was developed under the USAID Enhancing Capacity for Low Emission Development Strategies (EC-LEDS) program to support countries in assessing economic impacts of LEDS actions in the energy sector. I-JEDI estimates economic impacts by characterizing the construction and operation of energy projects in terms of expenditures and the portion of these expenditures made within the countrymore » of analysis. These data are then used in a country-specific input-output (I-O) model to estimate employment, earnings, gross domestic product (GDP), and gross output impacts. Total economic impacts are presented as well as impacts by industry. This user guide presents general information about how to use I-JEDI and interpret results as well as detailed information about methodology and model limitations.« less

JEDI - an executive dashboard and decision support system for lean global military medical resource and logistics management.

PubMed

Sloane, Elliot B; Rosow, Eric; Adam, Joe; Shine, Dave

2006-01-01

Each individual U.S. Air Force, Army, and Navy Surgeon General has integrated oversight of global medical supplies and resources using the Joint Medical Asset Repository (JMAR). A Business Intelligence system called the JMAR Executive Dashboard Initiative (JEDI) was developed over a three-year period to add real-time interactive data-mining tools and executive dashboards. Medical resources can now be efficiently reallocated to military, veteran, family, or civilian purposes and inventories can be maintained at lean levels with peaks managed by interactive dashboards that reduce workload and errors.

JAMSTEC E-library of Deep-sea Images (J-EDI) Realizes a Virtual Journey to the Earth's Unexplored Deep Ocean

NASA Astrophysics Data System (ADS)

Sasaki, T.; Azuma, S.; Matsuda, S.; Nagayama, A.; Ogido, M.; Saito, H.; Hanafusa, Y.

2016-12-01

The Japan Agency for Marine-Earth Science and Technology (JAMSTEC) archives a large amount of deep-sea research videos and photos obtained by JAMSTEC's research submersibles and vehicles with cameras. The web site "JAMSTEC E-library of Deep-sea Images : J-EDI" (http://www.godac.jamstec.go.jp/jedi/e/) has made videos and photos available to the public via the Internet since 2011. Users can search for target videos and photos by keywords, easy-to-understand icons, and dive information at J-EDI because operating staffs classify videos and photos as to contents, e.g. living organism and geological environment, and add comments to them.Dive survey data including videos and photos are not only valiant academically but also helpful for education and outreach activities. With the aim of the improvement of visibility for broader communities, we added new functions of 3-dimensional display synchronized various dive survey data with videos in this year.New Functions Users can search for dive survey data by 3D maps with plotted dive points using the WebGL virtual map engine "Cesium". By selecting a dive point, users can watch deep-sea videos and photos and associated environmental data, e.g. water temperature, salinity, rock and biological sample photos, obtained by the dive survey. Users can browse a dive track visualized in 3D virtual spaces using the WebGL JavaScript library. By synchronizing this virtual dive track with videos, users can watch deep-sea videos recorded at a point on a dive track. Users can play an animation which a submersible-shaped polygon automatically traces a 3D virtual dive track and displays of dive survey data are synchronized with tracing a dive track. Users can directly refer to additional information of other JAMSTEC data sites such as marine biodiversity database, marine biological sample database, rock sample database, and cruise and dive information database, on each page which a 3D virtual dive track is displayed. A 3D visualization of a dive

The Jena Diversity Model: Towards a Richer Representation of the Terrestrial Biosphere for Earth System Modelling

NASA Astrophysics Data System (ADS)

Pavlick, R.; Reu, B.; Bohn, K.; Dyke, J.; Kleidon, A.

2010-12-01

The terrestrial biosphere is a complex, self-organizing system which is continually both adapting to and altering its global environment. It also exhibits a vast diversity of vegetation forms and functioning. However, the terrestrial biosphere components within current state-of-the-art Earth System Models abstract this diversity in to a handful of relatively static plant functional types. These coarse and static representations of functional diversity might contribute to overly pessimistic projections regarding terrestrial ecosystem responses to scenarios of global change (e.g. Amazonian and boreal forest diebacks). In the Jena Diversity (JeDi) model, we introduce a new approach to vegetation modelling with a richer representation of functional diversity, based not on plant functional types, but on unavoidable plant ecophysiological trade-offs, which we hypothesize should be more stable in time. The JeDi model tests a large number of plant growth strategies. Each growth strategy is simulated using a set of randomly generated parameter values, which characterize its functioning in terms of carbon allocation, ecophysiology, and phenology, which are then linked to the growing conditions at the land surface. The model is constructed in such a way that these parameters inherently lead to ecophysiological trade-offs, which determine whether a growth strategy is able to survive and reproduce under the prevalent climatic conditions. Kleidon and Mooney (2000) demonstrated that this approach is capable of reproducing the geographic distribution of species richness. More recently, we have shown the JeDi model can explain other biogeographical phenomena including the present-day global pattern of biomes (Reu et al., accepted), ecosystem evenness (Kleidon et al. 2009), and possible mechanisms for biome shifts and biodiversity changes under scenarios of global warming (Reu et al., submitted). We have also evaluated the simulated biogeochemical fluxes from JeDi against a variety

Model selection as a science driver for dark energy surveys

NASA Astrophysics Data System (ADS)

Mukherjee, Pia; Parkinson, David; Corasaniti, Pier Stefano; Liddle, Andrew R.; Kunz, Martin

2006-07-01

A key science goal of upcoming dark energy surveys is to seek time-evolution of the dark energy. This problem is one of model selection, where the aim is to differentiate between cosmological models with different numbers of parameters. However, the power of these surveys is traditionally assessed by estimating their ability to constrain parameters, which is a different statistical problem. In this paper, we use Bayesian model selection techniques, specifically forecasting of the Bayes factors, to compare the abilities of different proposed surveys in discovering dark energy evolution. We consider six experiments - supernova luminosity measurements by the Supernova Legacy Survey, SNAP, JEDI and ALPACA, and baryon acoustic oscillation measurements by WFMOS and JEDI - and use Bayes factor plots to compare their statistical constraining power. The concept of Bayes factor forecasting has much broader applicability than dark energy surveys.

Guia del Usuario para el Modelo Internacional de Impacto en Trabajos y Desarrollo Economico (in Spanish)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keyser, David; Flores-Espino, Francisco; Uriarte, Caroline

This is a Spanish translation of 'User Guide for the International Jobs and Economic Development Impacts Model.' The International Jobs and Economic Development Impacts (I-JEDI) model is a freely available economic model that estimates gross economic impacts from wind, solar, and geothermal energy projects for several different countries. Building on the original JEDI model, which was developed for the United States, I-JEDI was developed under the USAID Enhancing Capacity for Low Emission Development Strategies (EC-LEDS) program to support countries in assessing economic impacts of LEDS actions in the energy sector. I-JEDI estimates economic impacts by characterizing the construction and operationmore » of energy projects in terms of expenditures and the portion of these expenditures made within the country of analysis. These data are then used in a country-specific input-output (I-O) model to estimate employment, earnings, gross domestic product (GDP), and gross output impacts. Total economic impacts are presented as well as impacts by industry. This user guide presents general information about how to use I-JEDI and interpret results as well as detailed information about methodology and model limitations.« less

Jedi Public Health: Co-creating an Identity-Safe Culture to Promote Health Equity.

PubMed

Geronimus, Arline T; James, Sherman A; Destin, Mesmin; Graham, Louis A; Hatzenbuehler, Mark; Murphy, Mary; Pearson, Jay A; Omari, Amel; Thompson, James Phillip

2016-12-01

The extent to which socially-assigned and culturally mediated social identity affects health depends on contingencies of social identity that vary across and within populations in day-to-day life. These contingencies are structurally rooted and health damaging inasmuch as they activate physiological stress responses. They also have adverse effects on cognition and emotion, undermining self-confidence and diminishing academic performance. This impact reduces opportunities for social mobility, while ensuring those who "beat the odds" pay a physical price for their positive efforts. Recent applications of social identity theory toward closing racial, ethnic, and gender academic achievement gaps through changing features of educational settings, rather than individual students, have proved fruitful. We sought to integrate this evidence with growing social epidemiological evidence that structurally-rooted biopsychosocial processes have population health effects. We explicate an emergent framework, Jedi Public Health (JPH). JPH focuses on changing features of settings in everyday life, rather than individuals, to promote population health equity, a high priority, yet, elusive national public health objective. We call for an expansion and, in some ways, a re-orienting of efforts to eliminate population health inequity. Policies and interventions to remove and replace discrediting cues in everyday settings hold promise for disrupting the repeated physiological stress process activation that fuels population health inequities with potentially wide application.

Counting Jobs and Economic Impacts from Distributed Wind in the United States (Poster)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tegen, S.

This conference poster describes the distributed wind Jobs and Economic Development Imapcts (JEDI) model. The goal of this work is to provide a model that estimates jobs and other economic effects associated with the domestic distributed wind industry. The distributed wind JEDI model is a free input-output model that estimates employment and other impacts resulting from an investment in distributed wind installations. Default inputs are from installers and industry experts and are based on existing projects. User input can be minimal (use defaults) or very detailed for more precise results. JEDI can help evaluate potential scenarios, current or future; informmore » stakeholders and decision-makers; assist businesses in evaluating economic development impacts and estimating jobs; assist government organizations with planning and evaluating and developing communities.« less

USAID-NREL Partnership | NREL

Science.gov Websites

Development Impacts (I-JEDI) Developing a transparent, market-based energy sector improves competitiveness development objectives. The International Jobs and Economic Development Impacts (I-JEDI) tool is an economic model that helps users analyze gross economic impacts of renewable energy projects (such as wind, solar

Offshore Wind Jobs and Economic Development Impacts in the United States: Four Regional Scenarios

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tegen, S.; Keyser, D.; Flores-Espino, F.

This report uses the offshore wind Jobs and Economic Development Impacts (JEDI) model and provides four case studies of potential offshore deployment scenarios in different regions of the United States: the Southeast, the Great Lakes, the Gulf Coast, and the Mid-Atlantic. Researchers worked with developers and industry representatives in each region to create potential offshore wind deployment and supply chain growth scenarios, specific to their locations. These scenarios were used as inputs into the offshore JEDI model to estimate jobs and other gross economic impacts in each region.

Effects of Mg II and Ca II ionization on ab-initio solar chromosphere models

NASA Technical Reports Server (NTRS)

Rammacher, W.; Cuntz, M.

1991-01-01

Acoustically heated solar chromosphere models are computed considering radiation damping by (non-LTE) emission from H(-) and by Mg II and Ca II emission lines. The radiative transfer equations for the Mg II k and Ca II K emission lines are solved using the core-saturation method with complete redistribution. The Mg II k and Ca II K cooling rates are compared with the VAL model C. Several substantial improvements over the work of Ulmschneider et al. (1987) are included. It is found that the rapid temperature rises caused by the ionization of Mg II are not formed in the middle chromosphere, but occur at larger atmospheric heights. These models represent the temperature structure of the 'real' solar chromosphere much better. This result is a major precondition for the study of ab-initio models for solar flux tubes based on MHD wave propagation and also for ab-initio models for the solar transition layer.

Using JEDI Data | Jobs and Economic Development Impact Models | NREL

Science.gov Websites

tool; Purchase the necessary aggregated multiplier and consumer commodity demand data from someone skilled in input-output modeling (IMPLAN or another modeling tool); or Purchase the necessary aggregated

Hydrodynamical models of cometary H II regions

NASA Astrophysics Data System (ADS)

Steggles, H. G.; Hoare, M. G.; Pittard, J. M.

2017-04-01

We have modelled the evolution of cometary H II regions produced by zero-age main-sequence stars of O and B spectral types, which are driving strong winds and are born off-centre from spherically symmetric cores with power-law (α = 2) density slopes. A model parameter grid was produced that spans stellar mass, age and core density. Exploring this parameter space, we investigated limb-brightening, a feature commonly seen in cometary H II regions. We found that stars with mass M⋆ ≥ 12 M⊙ produce this feature. Our models have a cavity bounded by a contact discontinuity separating hot shocked wind and ionized ambient gas that is similar in size to the surrounding H II region. Because of early pressure confinement, we did not see shocks outside of the contact discontinuity for stars with M⋆ ≤ 40 M⊙, but the cavities were found to continue to grow. The cavity size in each model plateaus as the H II region stagnates. The spectral energy distributions of our models are similar to those from identical stars evolving in uniform density fields. The turn-over frequency is slightly lower in our power-law models as a result of a higher proportion of low-density gas covered by the H II regions.

Physical properties of solar chromospheric plages. III - Models based on Ca II and Mg II observations

NASA Technical Reports Server (NTRS)

Kelch, W. L.; Linsky, J. L.

1978-01-01

Solar plages are modeled using observations of both the Ca II K and the Mg II h and k lines. A partial-redistribution approach is employed for calculating the line profiles on the basis of a grid of five model chromospheres. The computed integrated emission intensities for the five atmospheric models are compared with observations of six regions on the sun as well as with models of active-chromosphere stars. It is concluded that the basic plage model grid proposed by Shine and Linsky (1974) is still valid when the Mg II lines are included in the analysis and the Ca II and Mg II lines are analyzed using partial-redistribution diagnostics.

PARALLEL MEASUREMENT AND MODELING OF TRANSPORT IN THE DARHT II BEAMLINE ON ETA II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chambers, F W; Raymond, B A; Falabella, S

To successfully tune the DARHT II transport beamline requires the close coupling of a model of the beam transport and the measurement of the beam observables as the beam conditions and magnet settings are varied. For the ETA II experiment using the DARHT II beamline components this was achieved using the SUICIDE (Simple User Interface Connecting to an Integrated Data Environment) data analysis environment and the FITS (Fully Integrated Transport Simulation) model. The SUICIDE environment has direct access to the experimental beam transport data at acquisition and the FITS predictions of the transport for immediate comparison. The FITS model ismore » coupled into the control system where it can read magnet current settings for real time modeling. We find this integrated coupling is essential for model verification and the successful development of a tuning aid for the efficient convergence on a useable tune. We show the real time comparisons of simulation and experiment and explore the successes and limitations of this close coupled approach.« less

STUDENT-TEACHER POPULATION GROWTH MODEL--DYNAMOD II.

ERIC Educational Resources Information Center

ZABROWSKI, EDWARD K.; AND OTHERS

DYNAMOD II IS A COMPUTERIZED MARKOVIAN-TYPE FLOW MODEL DEVELOPED TO PROVIDE ESTIMATES OF THE EDUCATIONAL POPULATION OF STUDENTS AND TEACHERS OVER SELECTED INTERVALS OF TIME. THE POPULATION IS CROSS-CLASSIFIED INTO 108 GROUPS BY SEX, RACE, AGE, AND EDUCATIONAL CATEGORY. THIS NOTE DESCRIBES THE METHODOLOGY USED IN DYNAMOD II, COMPARES DYNAMOD II…

Nonlinear convective pulsation models of type II Cepheids

NASA Astrophysics Data System (ADS)

Smolec, Radoslaw

2015-08-01

We present a grid of nonlinear convective pulsation models of type-II Cepheids: BL Her stars, W Vir stars and RV Tau stars. The models cover a wide range of masses, luminosities, effective temperatures and chemical compositions. The most interesting result is detection of deterministic chaos in the models. Different routes to chaos are detected (period doubling, intermittent route) as well as variety of phenomena intrinsic to chaotic dynamics (periodic islands within chaotic bands, crisis bifurcation, type-I and type-III intermittency). Some of the phenomena (period doubling in BL Her and in RV Tau stars, irregular pulsation of RV Tau stars) are well known in the pulsation of type-II Cepheids. Prospects of discovering the other are briefly discussed. Transition from BL Her type pulsation through W Vir type till RV Tau type is analysed. In the most luminous models a dynamical instability is detected, which indicates that pulsation driven mass loss is important process occurring in type-II Cepheids.

Suzanne Tegan | NREL

Science.gov Websites

engagement. In addition, she estimates economic impacts (including jobs) from renewable energy using NREL's Jobs and Economic Development Impacts (JEDI) models and has written on economic impacts from

Secure Display of Space-Exploration Images

NASA Technical Reports Server (NTRS)

Cheng, Cecilia; Thornhill, Gillian; McAuley, Michael

2006-01-01

Java EDR Display Interface (JEDI) is software for either local display or secure Internet distribution, to authorized clients, of image data acquired from cameras aboard spacecraft engaged in exploration of remote planets. ( EDR signifies experimental data record, which, in effect, signifies image data.) Processed at NASA s Multimission Image Processing Laboratory (MIPL), the data can be from either near-realtime processing streams or stored files. JEDI uses the Java Advanced Imaging application program interface, plus input/output packages that are parts of the Video Image Communication and Retrieval software of the MIPL, to display images. JEDI can be run as either a standalone application program or within a Web browser as a servlet with an applet front end. In either operating mode, JEDI communicates using the HTTP(s) protocol(s). In the Web-browser case, the user must provide a password to gain access. For each user and/or image data type, there is a configuration file, called a "personality file," containing parameters that control the layout of the displays and the information to be included in them. Once JEDI has accepted the user s password, it processes the requested EDR (provided that user is authorized to receive the specific EDR) to create a display according to the user s personality file.

Homology modeling, binding site identification and docking study of human angiotensin II type I (Ang II-AT1) receptor.

PubMed

Vyas, Vivek K; Ghate, Manjunath; Patel, Kinjal; Qureshi, Gulamnizami; Shah, Surmil

2015-08-01

Ang II-AT1 receptors play an important role in mediating virtually all of the physiological actions of Ang II. Several drugs (SARTANs) are available, which can block the AT1 receptor effectively and lower the blood pressure in the patients with hypertension. Currently, there is no experimental Ang II-AT1 structure available; therefore, in this study we modeled Ang II-AT1 receptor structure using homology modeling followed by identification and characterization of binding sites and thereby assessing druggability of the receptor. Homology models were constructed using MODELLER and I-TASSER server, refined and validated using PROCHECK in which 96.9% of 318 residues were present in the favoured regions of the Ramachandran plots. Various Ang II-AT1 receptor antagonist drugs are available in the market as antihypertensive drug, so we have performed docking study with the binding site prediction algorithms to predict different binding pockets on the modeled proteins. The identification of 3D structures and binding sites for various known drugs will guide us for the structure-based drug design of novel compounds as Ang II-AT1 receptor antagonists for the treatment of hypertension. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

EXODUS II: A finite element data model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schoof, L.A.; Yarberry, V.R.

1994-09-01

EXODUS II is a model developed to store and retrieve data for finite element analyses. It is used for preprocessing (problem definition), postprocessing (results visualization), as well as code to code data transfer. An EXODUS II data file is a random access, machine independent, binary file that is written and read via C, C++, or Fortran library routines which comprise the Application Programming Interface (API).

Single-arm phase II trial design under parametric cure models.

PubMed

Wu, Jianrong

2015-01-01

The current practice of designing single-arm phase II survival trials is limited under the exponential model. Trial design under the exponential model may not be appropriate when a portion of patients are cured. There is no literature available for designing single-arm phase II trials under the parametric cure model. In this paper, a test statistic is proposed, and a sample size formula is derived for designing single-arm phase II trials under a class of parametric cure models. Extensive simulations showed that the proposed test and sample size formula perform very well under different scenarios. Copyright © 2015 John Wiley & Sons, Ltd.

Advanced Residual Strength Degradation Rate Modeling for Advanced Composite Structures. Volume II. Tasks II and III.

DTIC Science & Technology

1981-07-01

ADVANCED COMPOSITE STRUCTURES VOLUME II - TASKS Ix AND III K. N. Lauraitis Tl J. T. Ryder ?l4 D. E. Pettit ~ Lockheed-California Company S Burbank...Strength Degradation Rate Final Report Modeling for Advanced Composite Structures 1 July 1979 to 29 May 1981 Vol II - Task II and III S. PERFORMIN ONG...identify by block namber) composites , graphite/epoxy, impact damage, damaged holes, fatigue, damage propagation, residual strength, NDI 20. ABSTRACT

Carbonate-mediated Fe(II) oxidation in the air-cathode fuel cell: a kinetic model in terms of Fe(II) speciation.

PubMed

Song, Wei; Zhai, Lin-Feng; Cui, Yu-Zhi; Sun, Min; Jiang, Yuan

2013-06-06

Due to the high redox activity of Fe(II) and its abundance in natural waters, the electro-oxidation of Fe(II) can be found in many air-cathode fuel cell systems, such as acid mine drainage fuel cells and sediment microbial fuel cells. To deeply understand these iron-related systems, it is essential to elucidate the kinetics and mechanisms involved in the electro-oxidation of Fe(II). This work aims to develop a kinetic model that adequately describes the electro-oxidation process of Fe(II) in air-cathode fuel cells. The speciation of Fe(II) is incorporated into the model, and contributions of individual Fe(II) species to the overall Fe(II) oxidation rate are quantitatively evaluated. The results show that the kinetic model can accurately predict the electro-oxidation rate of Fe(II) in air-cathode fuel cells. FeCO3, Fe(OH)2, and Fe(CO3)2(2-) are the most important species determining the electro-oxidation kinetics of Fe(II). The Fe(II) oxidation rate is primarily controlled by the oxidation of FeCO3 species at low pH, whereas at high pH Fe(OH)2 and Fe(CO3)2(2-) are the dominant species. Solution pH, carbonate concentration, and solution salinity are able to influence the electro-oxidation kinetics of Fe(II) through changing both distribution and kinetic activity of Fe(II) species.

Modeling Fe II Emission and Revised Fe II (UV) Empirical Templates for the Seyfert 1 Galaxy I Zw 1

NASA Astrophysics Data System (ADS)

Bruhweiler, F.; Verner, E.

2008-03-01

We use the narrow-lined broad-line region (BLR) of the Seyfert 1 galaxy, I Zw 1, as a laboratory for modeling the ultraviolet (UV) Fe II 2100-3050 Å emission complex. We calculate a grid of Fe II emission spectra representative of BLR clouds and compare them with the observed I Zw 1 spectrum. Our predicted spectrum for log [nH/(cm -3) ] = 11.0, log [ΦH/(cm -2 s-1) ] = 20.5, and ξ/(1 km s-1) = 20, using Cloudy and an 830 level model atom for Fe II with energies up to 14.06 eV, gives a better fit to the UV Fe II emission than models with fewer levels. Our analysis indicates (1) the observed UV Fe II emission must be corrected for an underlying Fe II pseudocontinuum; (2) Fe II emission peaks can be misidentified as that of other ions in active galactic nuclei (AGNs) with narrow-lined BLRs possibly affecting deduced physical parameters; (3) the shape of 4200-4700 Å Fe II emission in I Zw 1 and other AGNs is a relative indicator of narrow-line region (NLR) and BLR Fe II emission; (4) predicted ratios of Lyα, C III], and Fe II emission relative to Mg II λ2800 agree with extinction corrected observed I Zw 1 fluxes, except for C IV λ1549 (5) the sensitivity of Fe II emission strength to microturbulence ξ casts doubt on existing relative Fe/Mg abundances derived from Fe II (UV)/Mg II flux ratios. Our calculated Fe II emission spectra, suitable for BLRs in AGNs, are available at http://iacs.cua.edu/people/verner/FeII. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 05-26555.

Juno/JEDI observations of 0.01 to >10 MeV energetic ions in the Jovian auroral regions: Anticipating a source for polar X-ray emission

NASA Astrophysics Data System (ADS)

Haggerty, D. K.; Mauk, B. H.; Paranicas, C. P.; Clark, G.; Kollmann, P.; Rymer, A. M.; Bolton, S. J.; Connerney, J. E. P.; Levin, S. M.

2017-07-01

After a successful orbit insertion, the Juno spacecraft completed its first 53.5 day orbit and entered a very low altitude perijove with the full scientific payload operational for the first time on 27 August 2016. The Jupiter Energetic particle Detector Instrument measured ions and electrons over the auroral regions and through closest approach, with ions measured from 0.01 to >10 MeV, depending on species. This report focuses on the composition of the energetic ions observed during the first perijove of the Juno mission. Of particular interest are the ions that precipitate from the magnetosphere onto the polar atmosphere and ions that are accelerated locally by Jupiter's powerful auroral processes. We report preliminary findings on the spatial variations, species, including energy and pitch angle distributions throughout the prime science region during the first orbit of the Juno mission. The prime motivation for this work was to examine the heavy ions that are thought to be responsible for the observed polar X-rays. Jupiter Energetic particle Detector Instrument (JEDI) did observe precipitating heavy ions with energies >10 MeV, but for this perijove the intensities were far below those needed to account for previously observed polar X-ray emissions. During this survey we also found an unusual signal of ions between oxygen and sulfur. We include here a report on what appears to be a transitory observation of magnesium, or possibly sodium, at MeV energies through closest approach.

Kinetics of Cd(ii) adsorption and desorption on ferrihydrite: experiments and modeling.

PubMed

Liang, Yuzhen; Tian, Lei; Lu, Yang; Peng, Lanfang; Wang, Pei; Lin, Jingyi; Cheng, Tao; Dang, Zhi; Shi, Zhenqing

2018-05-15

The kinetics of Cd(ii) adsorption/desorption on ferrihydrite is an important process affecting the fate, transport, and bioavailability of Cd(ii) in the environment, which was rarely systematically studied and understood at quantitative levels. In this work, a combination of stirred-flow kinetic experiments, batch adsorption equilibrium experiments, high-resolution transmission electron microscopy (HR-TEM), and mechanistic kinetic modeling were used to study the kinetic behaviors of Cd(ii) adsorption/desorption on ferrihydrite. HR-TEM images showed the open, loose, and sponge-like structure of ferrihydrite. The batch adsorption equilibrium experiments revealed that higher pH and initial metal concentration increased Cd(ii) adsorption on ferrihydrite. The stirred-flow kinetic results demonstrated the increased adsorption rate and capacity as a result of the increased pH, influent concentration, and ferrihydrite concentration. The mechanistic kinetic model successfully described the kinetic behaviors of Cd(ii) during the adsorption and desorption stages under various chemistry conditions. The model calculations showed that the adsorption rate coefficients varied as a function of solution chemistry, and the relative contributions of the weak and strong ferrihydrite sites for Cd(ii) binding varied with time at different pH and initial metal concentrations. Our model is able to quantitatively assess the contributions of each individual ferrihydrite binding site to the overall Cd(ii) adsorption/desorption kinetics. This study provided insights into the dynamic behavior of Cd(ii) and a predictive modeling tool for Cd(ii) adsorption/desorption kinetics when ferrihydrite is present, which may be helpful for the risk assessment and management of Cd contaminated sites.

Effect of Cu(II), Cd(II) and Zn(II) on Pb(II) biosorption by algae Gelidium-derived materials.

PubMed

Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

2008-06-15

Biosorption of Pb(II), Cu(II), Cd(II) and Zn(II) from binary metal solutions onto the algae Gelidium sesquipedale, an algal industrial waste and a waste-based composite material was investigated at pH 5.3, in a batch system. Binary Pb(II)/Cu(II), Pb(II)/Cd(II) and Pb(II)/Zn(II) solutions have been tested. For the same equilibrium concentrations of both metal ions (1 mmol l(-1)), approximately 66, 85 and 86% of the total uptake capacity of the biosorbents is taken by lead ions in the systems Pb(II)/Cu(II), Pb(II)/Cd(II) and Pb(II)/Zn(II), respectively. Two-metal results were fitted to a discrete and a continuous model, showing the inhibition of the primary metal biosorption by the co-cation. The model parameters suggest that Cd(II) and Zn(II) have the same decreasing effect on the Pb(II) uptake capacity. The uptake of Pb(II) was highly sensitive to the presence of Cu(II). From the discrete model it was possible to obtain the Langmuir affinity constant for Pb(II) biosorption. The presence of the co-cations decreases the apparent affinity of Pb(II). The experimental results were successfully fitted by the continuous model, at different pH values, for each biosorbent. The following sequence for the equilibrium affinity constants was found: Pb>Cu>Cd approximately Zn.

Evaluation of climate-related carbon turnover processes in global vegetation models for boreal and temperate forests.

PubMed

Thurner, Martin; Beer, Christian; Ciais, Philippe; Friend, Andrew D; Ito, Akihiko; Kleidon, Axel; Lomas, Mark R; Quegan, Shaun; Rademacher, Tim T; Schaphoff, Sibyll; Tum, Markus; Wiltshire, Andy; Carvalhais, Nuno

2017-08-01

Turnover concepts in state-of-the-art global vegetation models (GVMs) account for various processes, but are often highly simplified and may not include an adequate representation of the dominant processes that shape vegetation carbon turnover rates in real forest ecosystems at a large spatial scale. Here, we evaluate vegetation carbon turnover processes in GVMs participating in the Inter-Sectoral Impact Model Intercomparison Project (ISI-MIP, including HYBRID4, JeDi, JULES, LPJml, ORCHIDEE, SDGVM, and VISIT) using estimates of vegetation carbon turnover rate (k) derived from a combination of remote sensing based products of biomass and net primary production (NPP). We find that current model limitations lead to considerable biases in the simulated biomass and in k (severe underestimations by all models except JeDi and VISIT compared to observation-based average k), likely contributing to underestimation of positive feedbacks of the northern forest carbon balance to climate change caused by changes in forest mortality. A need for improved turnover concepts related to frost damage, drought, and insect outbreaks to better reproduce observation-based spatial patterns in k is identified. As direct frost damage effects on mortality are usually not accounted for in these GVMs, simulated relationships between k and winter length in boreal forests are not consistent between different regions and strongly biased compared to the observation-based relationships. Some models show a response of k to drought in temperate forests as a result of impacts of water availability on NPP, growth efficiency or carbon balance dependent mortality as well as soil or litter moisture effects on leaf turnover or fire. However, further direct drought effects such as carbon starvation (only in HYBRID4) or hydraulic failure are usually not taken into account by the investigated GVMs. While they are considered dominant large-scale mortality agents, mortality mechanisms related to insects and

Mortality Probability Model III and Simplified Acute Physiology Score II

PubMed Central

Vasilevskis, Eduard E.; Kuzniewicz, Michael W.; Cason, Brian A.; Lane, Rondall K.; Dean, Mitzi L.; Clay, Ted; Rennie, Deborah J.; Vittinghoff, Eric; Dudley, R. Adams

2009-01-01

Background: To develop and compare ICU length-of-stay (LOS) risk-adjustment models using three commonly used mortality or LOS prediction models. Methods: Between 2001 and 2004, we performed a retrospective, observational study of 11,295 ICU patients from 35 hospitals in the California Intensive Care Outcomes Project. We compared the accuracy of the following three LOS models: a recalibrated acute physiology and chronic health evaluation (APACHE) IV-LOS model; and models developed using risk factors in the mortality probability model III at zero hours (MPM0) and the simplified acute physiology score (SAPS) II mortality prediction model. We evaluated models by calculating the following: (1) grouped coefficients of determination; (2) differences between observed and predicted LOS across subgroups; and (3) intraclass correlations of observed/expected LOS ratios between models. Results: The grouped coefficients of determination were APACHE IV with coefficients recalibrated to the LOS values of the study cohort (APACHE IVrecal) [R2 = 0.422], mortality probability model III at zero hours (MPM0 III) [R2 = 0.279], and simplified acute physiology score (SAPS II) [R2 = 0.008]. For each decile of predicted ICU LOS, the mean predicted LOS vs the observed LOS was significantly different (p ≤ 0.05) for three, two, and six deciles using APACHE IVrecal, MPM0 III, and SAPS II, respectively. Plots of the predicted vs the observed LOS ratios of the hospitals revealed a threefold variation in LOS among hospitals with high model correlations. Conclusions: APACHE IV and MPM0 III were more accurate than SAPS II for the prediction of ICU LOS. APACHE IV is the most accurate and best calibrated model. Although it is less accurate, MPM0 III may be a reasonable option if the data collection burden or the treatment effect bias is a consideration. PMID:19363210

Inhibitor-based validation of a homology model of the active-site of tripeptidyl peptidase II.

PubMed

De Winter, Hans; Breslin, Henry; Miskowski, Tamara; Kavash, Robert; Somers, Marijke

2005-04-01

A homology model of the active site region of tripeptidyl peptidase II (TPP II) was constructed based on the crystal structures of four subtilisin-like templates. The resulting model was subsequently validated by judging expectations of the model versus observed activities for a broad set of prepared TPP II inhibitors. The structure-activity relationships observed for the prepared TPP II inhibitors correlated nicely with the structural details of the TPP II active site model, supporting the validity of this model and its usefulness for structure-based drug design and pharmacophore searching experiments.

Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

NASA Astrophysics Data System (ADS)

Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

2015-12-01

Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

Modeling the World Health Organization Disability Assessment Schedule II using non-parametric item response models.

PubMed

Galindo-Garre, Francisca; Hidalgo, María Dolores; Guilera, Georgina; Pino, Oscar; Rojo, J Emilio; Gómez-Benito, Juana

2015-03-01

The World Health Organization Disability Assessment Schedule II (WHO-DAS II) is a multidimensional instrument developed for measuring disability. It comprises six domains (getting around, self-care, getting along with others, life activities and participation in society). The main purpose of this paper is the evaluation of the psychometric properties for each domain of the WHO-DAS II with parametric and non-parametric Item Response Theory (IRT) models. A secondary objective is to assess whether the WHO-DAS II items within each domain form a hierarchy of invariantly ordered severity indicators of disability. A sample of 352 patients with a schizophrenia spectrum disorder is used in this study. The 36 items WHO-DAS II was administered during the consultation. Partial Credit and Mokken scale models are used to study the psychometric properties of the questionnaire. The psychometric properties of the WHO-DAS II scale are satisfactory for all the domains. However, we identify a few items that do not discriminate satisfactorily between different levels of disability and cannot be invariantly ordered in the scale. In conclusion the WHO-DAS II can be used to assess overall disability in patients with schizophrenia, but some domains are too general to assess functionality in these patients because they contain items that are not applicable to this pathology. Copyright © 2014 John Wiley & Sons, Ltd.

Large Black Holes in the Randall-Sundrum II Model

NASA Astrophysics Data System (ADS)

Yaghoobpour Tari, Shima

The Einstein equation with a negative cosmological constant ! in the five dimensions for the Randall-Sundrum II model, which includes a black hole, has been solved numerically. We have constructed an AdS5-CFT 4 solution numerically, using a spectral method to minimize the integral of the square of the error of the Einstein equation, with 210 parameters to be determined by optimization. This metric is conformal to the Schwarzschild metric at an AdS5 boundary with an infinite scale factor. So, we consider this solution as an infinite-mass black hole solution. We have rewritten the infinite-mass black hole in the Fefferman-Graham form and obtained the numerical components of the CFT energy-momentum tensor. Using them, we have perturbed the metric to relocate the brane from infinity and obtained a large static black hole solution for the Randall- Sundrum II model. The changes of mass, entropy, temperature and area of the large black hole from the Schwarzschild metric are studied up to the first order for the perturbation parameter 1/(-Λ5M 2). The Hawking temperature and entropy for our large black hole have the same values as the Schwarzschild metric with the same mass, but the horizon area is increased by about 4.7/(-Λ5). Figueras, Lucietti, and Wiseman found an AdS5-CFT4 solution using an independent and different method from us, called the Ricci-DeTurck-flow method. Then, Figueras and Wiseman perturbed this solution in a same way as we have done and obtained the solution for the large black hole in the Randall-Sundrum II model. These two numerical solutions are the first mathematical proofs for having a large black hole in the Randall-Sundrum II. We have compared their results with ours for the CFT energy-momentum tensor components and the perturbed metric. We have shown that the results are closely in agreement, which can be considered as evidence that the solution for the large black hole in the Randall-Sundrum II model exists.

Modeling MgII Absorbers from SDSS Spectroscopic and Imaging Catalogs

NASA Astrophysics Data System (ADS)

Rimoldini, L. G.; Menard, B.; Nestor, D. B.; Rao, S. M.; Sheth, R. K.; Turnshek, D. A.; Zibetti, S.; Feather, S.; Quider, A.

2005-12-01

The detection of more than 14,000 MgII absorption doublets along the sight-lines to SDSS DR4 QSOs (pursued by Turnshek, Nestor, Rao, and collaborators) has produced the largest sample of MgII absorbers to date in the redshift interval 0.37 < z < 2.30. The statistical relation between galaxies and MgII systems is investigated by cross-correlating the spectroscopic MgII catalog with the SDSS imaging catalog of galaxies in the neighborhood of QSO sight-lines. A model for MgII absorbers is derived to account for the measured MgII rest equivalent width distribution and the absorbing galaxy properties (e.g., luminosity, impact parameter, and morphological type). Some preliminary results of our analysis are presented. This work was supported in part by the National Science Foundation. L.G.R. acknowledges further support from the Z. Daniel's Predoctoral Fellowship.

THE HYDRODYNAMICAL MODELS OF THE COMETARY COMPACT H ii REGION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Feng-Yao; Zhu, Qing-Feng; Li, Juan

2015-10-10

We have developed a full numerical method to study the gas dynamics of cometary ultracompact H ii regions, and associated photodissociation regions (PDRs). The bow-shock and champagne-flow models with a 40.9/21.9 M{sub ⊙} star are simulated. In the bow-shock models, the massive star is assumed to move through dense (n = 8000 cm{sup −3}) molecular material with a stellar velocity of 15 km s{sup −1}. In the champagne-flow models, an exponential distribution of density with a scale height of 0.2 pc is assumed. The profiles of the [Ne ii] 12.81 μm and H{sub 2} S(2) lines from the ionized regionsmore » and PDRs are compared for two sets of models. In champagne-flow models, emission lines from the ionized gas clearly show the effect of acceleration along the direction toward the tail due to the density gradient. The kinematics of the molecular gas inside the dense shell are mainly due to the expansion of the H ii region. However, in bow-shock models the ionized gas mainly moves in the same direction as the stellar motion. The kinematics of the molecular gas inside the dense shell simply reflects the motion of the dense shell with respect to the star. These differences can be used to distinguish two sets of models.« less

Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.

PubMed

Kerber, William D; Goheen, Joshua T; Perez, Kaitlyn A; Siegler, Maxime A

2016-01-19

Heterobimetallic Mn/Fe cofactors are found in the R2 subunit of class Ic ribonucleotide reductases (R2c) and R2-like ligand binding oxidases (R2lox). Selective cofactor assembly is due at least in part to the thermodynamics of M(II) binding to the apoprotein. We report here equilibrium studies of Fe(II)/Mn(II) discrimination in the biomimetic model system H5(F-HXTA) (5-fluoro-2-hydroxy-1,3-xylene-α,α'-diamine-N,N,N',N'-tetraacetic acid). The homobimetallic F-HXTA complexes [Fe(H2O)6][1]2·14H2O and [Mn(H2O)6][2]2·14H2O (1 = [Fe(II)2(F-HXTA)(H2O)4](-); 2 = [Mn(II)2(F-HXTA)(H2O)4](-)) were characterized by single crystal X-ray diffraction. NMR data show that 1 retains its structure in solution (2 is NMR silent). Metal exchange is facile, and the heterobimetallic complex [Fe(II)Mn(II)(F-HXTA)(H2O)4](-) (3) is formed from mixtures of 1 and 2. (19)F NMR was used to quantify 1 and 3 in the presence of excess M(II)(aq) at various metal ratios, and equilibrium constants for Fe(II)/Mn(II) discrimination were calculated from these data. Fe(II) is preferred over Mn(II) with K1 = 182 ± 13 for complete replacement (2 ⇌ 1). This relatively modest preference is attributed to a hard-soft acid-base mismatch between the divalent cations and the polycarboxylate ligand. The stepwise constants for replacement are K2 = 20.1 ± 1.3 (2 ⇌ 3) and K3 = 9.1 ± 1.1 (3 ⇌ 1). K2 > K3 demonstrates enhanced stability of the heterobimetallic state beyond what is expected for simple Mn(II) → Fe(II) replacement. The relevance to Fe(II)/Mn(II) discrimination in R2c and R2lox proteins is discussed.

Available for the Apple II: FIRM: Florida InteRactive Modeler.

ERIC Educational Resources Information Center

Levy, C. Michael; And Others

1983-01-01

The Apple II microcomputer program described allows instructors with minimal programing experience to construct computer models of psychological phenomena for students to investigate. Use of these models eliminates need to maintain/house/breed animals or purchase sophisticated laboratory equipment. Several content models are also described,…

Neutrinoless double beta decay in type I+II seesaw models

NASA Astrophysics Data System (ADS)

Borah, Debasish; Dasgupta, Arnab

2015-11-01

We study neutrinoless double beta decay in left-right symmetric extension of the standard model with type I and type II seesaw origin of neutrino masses. Due to the enhanced gauge symmetry as well as extended scalar sector, there are several new physics sources of neutrinoless double beta decay in this model. Ignoring the left-right gauge boson mixing and heavy-light neutrino mixing, we first compute the contributions to neutrinoless double beta decay for type I and type II dominant seesaw separately and compare with the standard light neutrino contributions. We then repeat the exercise by considering the presence of both type I and type II seesaw, having non-negligible contributions to light neutrino masses and show the difference in results from individual seesaw cases. Assuming the new gauge bosons and scalars to be around a TeV, we constrain different parameters of the model including both heavy and light neutrino masses from the requirement of keeping the new physics contribution to neutrinoless double beta decay amplitude below the upper limit set by the GERDA experiment and also satisfying bounds from lepton flavor violation, cosmology and colliders.

User's Guide To CHEAP0 II-Economic Analysis of Stand Prognosis Model Outputs

Treesearch

Joseph E. Horn; E. Lee Medema; Ervin G. Schuster

1986-01-01

CHEAP0 II provides supplemental economic analysis capability for users of version 5.1 of the Stand Prognosis Model, including recent regeneration and insect outbreak extensions. Although patterned after the old CHEAP0 model, CHEAP0 II has more features and analytic capabilities, especially for analysis of existing and uneven-aged stands....

Understanding variability of the Southern Ocean overturning circulation in CORE-II models

NASA Astrophysics Data System (ADS)

Downes, S. M.; Spence, P.; Hogg, A. M.

2018-03-01

The current generation of climate models exhibit a large spread in the steady-state and projected Southern Ocean upper and lower overturning circulation, with mechanisms for deep ocean variability remaining less well understood. Here, common Southern Ocean metrics in twelve models from the Coordinated Ocean-ice Reference Experiment Phase II (CORE-II) are assessed over a 60 year period. Specifically, stratification, surface buoyancy fluxes, and eddies are linked to the magnitude of the strengthening trend in the upper overturning circulation, and a decreasing trend in the lower overturning circulation across the CORE-II models. The models evolve similarly in the upper 1 km and the deep ocean, with an almost equivalent poleward intensification trend in the Southern Hemisphere westerly winds. However, the models differ substantially in their eddy parameterisation and surface buoyancy fluxes. In general, models with a larger heat-driven water mass transformation where deep waters upwell at the surface ( ∼ 55°S) transport warmer waters into intermediate depths, thus weakening the stratification in the upper 2 km. Models with a weak eddy induced overturning and a warm bias in the intermediate waters are more likely to exhibit larger increases in the upper overturning circulation, and more significant weakening of the lower overturning circulation. We find the opposite holds for a cool model bias in intermediate depths, combined with a more complex 3D eddy parameterisation that acts to reduce isopycnal slope. In summary, the Southern Ocean overturning circulation decadal trends in the coarse resolution CORE-II models are governed by biases in surface buoyancy fluxes and the ocean density field, and the configuration of the eddy parameterisation.

Recovery Act : Heterogeneous Feed Biorefinery Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schofield, Richard

2015-03-15

To overcome the hurdles associated with introducing a new technology, Enerkem applied to the US DOE for grant assistance with its Pontotoc, Mississippi, biorefinery under the DOE’s Demonstration of Integrated Biorefinery Operations FOA. Consistent with Enerkem’s strategic approach, the project proposed uses post sorted municipal solid waste blended with other forest residue. The proposed biorefinery is to be located within the boundaries of a working landfill, thus simplifying many aspects of environmental permitting while also reducing feedstock acquisition and transportation costs. An economic impact analysis was conducted using an adaptation of the US Department of Energy’s JEDI (Jobs and Economicmore » Development Impact) model for an ethanol-producing biorefinery. The JEDI model, which does not have a thermochemical processing option, had to be configured to reflect a biomass feedstock and was thus adapted by Enerkem to account for the unique feedstock requirements and operations of the Project. According to this model, development, construction, and 2 years of operation of the biorefinery require an investment of approximately $140 million. Also, a construction period of 18 months will create significant direct and indirect employment. Indirect employment includes steel manufacturers, construction materials manufacturers, material shipping, equipment manufacturers and fabrication, etc. During the construction phase of the Project, 210 total jobs are expected to be created, including 145 direct jobs and 72 indirect or induced jobs. During the operating period, 131 jobs would be created, 95 of which are direct. It is anticipated that the project will create at least 10 new jobs (included in the above figures and in addition to the JEDI data) in the sorting and recycling sector, since the project will require operations in sorting MSW since valuable ferrous, nonferrous and recyclable plastic materials will be sorted from MSW as part of the process that

A structural model for apolipoprotein C-II amyloid fibrils: experimental characterization and molecular dynamics simulations.

PubMed

Teoh, Chai Lean; Pham, Chi L L; Todorova, Nevena; Hung, Andrew; Lincoln, Craig N; Lees, Emma; Lam, Yuen Han; Binger, Katrina J; Thomson, Neil H; Radford, Sheena E; Smith, Trevor A; Müller, Shirley A; Engel, Andreas; Griffin, Michael D W; Yarovsky, Irene; Gooley, Paul R; Howlett, Geoffrey J

2011-02-04

The self-assembly of specific proteins to form insoluble amyloid fibrils is a characteristic feature of a number of age-related and debilitating diseases. Lipid-free human apolipoprotein C-II (apoC-II) forms characteristic amyloid fibrils and is one of several apolipoproteins that accumulate in amyloid deposits located within atherosclerotic plaques. X-ray diffraction analysis of aligned apoC-II fibrils indicated a simple cross-β-structure composed of two parallel β-sheets. Examination of apoC-II fibrils using transmission electron microscopy, scanning transmission electron microscopy, and atomic force microscopy indicated that the fibrils are flat ribbons composed of one apoC-II molecule per 4.7-Å rise of the cross-β-structure. Cross-linking results using single-cysteine substitution mutants are consistent with a parallel in-register structural model for apoC-II fibrils. Fluorescence resonance energy transfer analysis of apoC-II fibrils labeled with specific fluorophores provided distance constraints for selected donor-acceptor pairs located within the fibrils. These findings were used to develop a simple 'letter-G-like' β-strand-loop-β-strand model for apoC-II fibrils. Fully solvated all-atom molecular dynamics (MD) simulations showed that the model contained a stable cross-β-core with a flexible connecting loop devoid of persistent secondary structure. The time course of the MD simulations revealed that charge clusters in the fibril rearrange to minimize the effects of same-charge interactions inherent in parallel in-register models. Our structural model for apoC-II fibrils suggests that apoC-II monomers fold and self-assemble to form a stable cross-β-scaffold containing relatively unstructured connecting loops. Copyright © 2010 Elsevier Ltd. All rights reserved.

Economic and Financial Analysis Tools | Energy Analysis | NREL

Science.gov Websites

Economic and Financial Analysis Tools Economic and Financial Analysis Tools Use these economic and . Job and Economic Development Impact (JEDI) Model Use these easy-to-use, spreadsheet-based tools to analyze the economic impacts of constructing and operating power generation and biofuel plants at the

Angiotensin II, hypertension and angiotensin II receptor antagonism: Roles in the behavioural and brain pathology of a mouse model of Alzheimer's disease.

PubMed

Wiesmann, Maximilian; Roelofs, Monica; van der Lugt, Robert; Heerschap, Arend; Kiliaan, Amanda J; Claassen, Jurgen Ahr

2017-07-01

Elevated angiotensin II causes hypertension and contributes to Alzheimer's disease by affecting cerebral blood flow. Angiotensin II receptor blockers may provide candidates to reduce (vascular) risk factors for Alzheimer's disease. We studied effects of two months of angiotensin II-induced hypertension on systolic blood pressure, and treatment with the angiotensin II receptor blockers, eprosartan mesylate, after one month of induced hypertension in wild-type C57bl/6j and AβPPswe/PS1ΔE9 (AβPP/PS1/Alzheimer's disease) mice. AβPP/PS1 showed higher systolic blood pressure than wild-type. Subsequent eprosartan mesylate treatment restored this elevated systolic blood pressure in all mice. Functional connectivity was decreased in angiotensin II-infused Alzheimer's disease and wild-type mice, and only 12 months of Alzheimer's disease mice showed impaired cerebral blood flow. Only angiotensin II-infused Alzheimer's disease mice exhibited decreased spatial learning in the Morris water maze. Altogether, angiotensin II-induced hypertension not only exacerbated Alzheimer's disease-like pathological changes such as impairment of cerebral blood flow, functional connectivity, and cognition only in Alzheimer's disease model mice, but it also induced decreased functional connectivity in wild-type mice. However, we could not detect hypertension-induced overexpression of Aβ nor increased neuroinflammation. Our findings suggest a link between midlife hypertension, decreased cerebral hemodynamics and connectivity in an Alzheimer's disease mouse model. Eprosartan mesylate treatment restored and beneficially affected cerebral blood flow and connectivity. This model could be used to investigate prevention/treatment strategies in early Alzheimer's disease.

Pecan nutshell as biosorbent to remove Cu(II), Mn(II) and Pb(II) from aqueous solutions.

PubMed

Vaghetti, Julio C P; Lima, Eder C; Royer, Betina; da Cunha, Bruna M; Cardoso, Natali F; Brasil, Jorge L; Dias, Silvio L P

2009-02-15

In the present study we reported for the first time the feasibility of pecan nutshell (PNS, Carya illinoensis) as an alternative biosorbent to remove Cu(II), Mn(II) and Pb(II) metallic ions from aqueous solutions. The ability of PNS to remove the metallic ions was investigated by using batch biosorption procedure. The effects such as, pH, biosorbent dosage on the adsorption capacities of PNS were studied. Four kinetic models were tested, being the adsorption kinetics better fitted to fractionary-order kinetic model. Besides that, the kinetic data were also fitted to intra-particle diffusion model, presenting three linear regions, indicating that the kinetics of adsorption should follow multiple sorption rates. The equilibrium data were fitted to Langmuir, Freundlich, Sips and Redlich-Peterson isotherm models. Taking into account a statistical error function, the data were best fitted to Sips isotherm model. The maximum biosorption capacities of PNS were 1.35, 1.78 and 0.946mmolg(-1) for Cu(II), Mn(II) and Pb(II), respectively.

Offshore Wind Jobs and Economic Development Impact: Four Regional Scenarios (Presentation)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tegen, S.

NREL's Jobs and Economic Development Impact (JEDI) Model for Offshore Wind, is a computer tool for studying the economic impacts of fixed-bottom offshore wind projects in the United States. This presentation provides the results of an analysis of four offshore wind development scenarios in the Southeast Atlantic, Great Lakes, Mid-Atlantic, and Gulf of Mexico regions.

The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques.

PubMed

Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong; Pan, Min

2017-09-28

Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R² > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH < 5.0, whereas Cd(II) adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH < 5.0 and pH > 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X₂Cd) at low pH and inner-sphere surface complexation sites (SOCd⁺ and (SO)₂CdOH - species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water-mineral interface.

The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques

PubMed Central

Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong

2017-01-01

Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH < 5.0, whereas Cd(II) adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH < 5.0 and pH > 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd) at low pH and inner-sphere surface complexation sites (SOCd+ and (SO)2CdOH− species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface. PMID:28956849

Biodiversity of Terrestrial Vegetation during Past Warm Periods

NASA Astrophysics Data System (ADS)

Davies-Barnard, T.; Valdes, P. J.; Ridgwell, A.

2016-12-01

Previous modelling studies of vegetation have generally used a small number of plant functional types to understand how the terrestrial biosphere responds to climate changes. Whilst being useful for understanding first order climate feedbacks, this climate-envelope approach makes a lot of assumptions about past vegetation being very similar to modern. A trait-based method has the advantage for paleo modelling in that there are substantially less assumptions made. In a novel use of the trait-based dynamic vegetation model JeDi, forced with output from climate model HadCM3, we explore past biodiversity and vegetation carbon changes. We use JeDi to model an optimal 2000 combinations of fifteen different traits to enable assessment of the overall level of biodiversity as well as individual growth strategies. We assess the vegetation shifts and biodiversity changes in past greenhouse periods to better understand the impact on the terrestrial biosphere. This work provides original insights into the response of vegetation and terrestrial carbon to climate and hydrological changes in high carbon dioxide climates over time, including during the Late Permian and Cretaceous. We evaluate how the location of biodiversity hotspots and species richness in past greenhouse climates is different to the present day.

SPARTAN II: An Instructional High Resolution Land Combat Model

DTIC Science & Technology

1993-03-01

93M-09 SPARTAN II: AN INSTRUCTIONAL HIGH RESOLUTION LAND COMBAT MODEL THESIS DWquALfl’ 4 Presented to the Faculty of the School of Engineering of the...ADVISOR NAJ Edward Negrelli/ENS REALDER MAJ Bruce Marl an/MA LD1 { The goal of this thesis was to improve SPARTAN, a high resolution land combat model...should serve as a useful tool for learning about the advantages and disadvantages of high resolution combat modeling. I wish to thank I4AJ Edward

Mono-component versus binary isotherm models for Cu(II) and Pb(II) sorption from binary metal solution by the green alga Pithophora oedogonia.

PubMed

Kumar, Dhananjay; Singh, Alpana; Gaur, J P

2008-11-01

The sorption of Cu(II) and Pb(II) by Pithophora markedly decreased as the concentration of the secondary metal ion, Cu(II) or Pb(II), increased in the binary metal solution. However, the test alga showed a greater affinity to sorb Cu(II) than Pb(II) from the binary metal solution. Mono-component Freundlich, Langmuir, Redlich-Peterson and Sips isotherms successfully predicted the sorption of Cu(II) and Pb(II) from both single and binary metal solutions. None of the tested binary sorption isotherms could realistically predict Cu(II) and Pb(II) sorption capacity and affinity of the test alga for the binary metal solutions of varying composition, which mono-component isotherms could very well accomplish. Hence, mono-component isotherm modeling at different concentrations of the secondary metal ion seems to be a better option than binary isotherms for metal sorption from binary metal solution.

Modeling Type II-P/II-L Supernovae Interacting with Recent Episodic Mass Ejections from Their Presupernova Stars with MESA and SNEC

NASA Astrophysics Data System (ADS)

Das, Sanskriti; Ray, Alak

2017-12-01

We show how dense, compact, discrete shells of circumstellar gas immediately outside of red supergiants affect the optical light curves of Type II-P/II-L supernovae (SNe), using the example of SN 2013ej. Earlier efforts in the literature had used an artificial circumstellar medium (CSM) stitched to the surface of an evolved star that had not gone through a phase of late-stage heavy mass loss, which, in essence, is the original source of the CSM. In contrast, we allow enhanced mass-loss rate from the modeled star during the 16O and 28Si burning stages and construct the CSM from the resulting mass-loss history in a self-consistent way. Once such evolved pre-SN stars are exploded, we find that the models with early interaction between the shock and the dense CSM reproduce light curves far better than those without that mass loss and, hence, having no nearby dense CSM. The required explosion energy for the progenitors with a dense CSM is reduced by almost a factor of two compared to those without the CSM. Our model, with a more realistic CSM profile and presupernova and explosion parameters, fits observed data much better throughout the rise, plateau, and radioactive tail phases as compared to previous studies. This points to an intermediate class of supernovae between Type II-P/II-L and Type II-n SNe with the characteristics of simultaneous UV and optical peak, slow decline after peak, and a longer plateau.

Line profile studies of hydrodynamical models of cometary compact H II regions

NASA Astrophysics Data System (ADS)

Zhu, Feng-Yao; Zhu, Qing-Feng

2015-06-01

We simulate the evolution of cometary H II regions based on several champagne flow models and bow shock models, and calculate the profiles of the [Ne II] fine-structure line at 12.81 μm, the H30α recombination line and the [Ne III] fine-structure line at 15.55 μm for these models at different inclinations of 0°, 30° and 60°. We find that the profiles in the bow shock models are generally different from those in the champagne flow models, but the profiles in the bow shock models with lower stellar velocity (≤ 5 km s-1) are similar to those in the champagne flow models. In champagne flow models, both the velocity of peak flux and the flux weighted central velocities of all three lines point outward from molecular clouds. In bow shock models, the directions of these velocities depend on the speed of stars. The central velocities of these lines are consistent with the stellar motion in the high stellar speed cases, but they are opposite directions from the stellar motion in the low speed cases. We notice that the line profiles from the slit along the symmetrical axis of the projected 2D image of these models are useful for distinguishing bow shock models from champagne flow models. It is also confirmed by the calculation that the flux weighted central velocity and the line luminosity of the [Ne III] line can be estimated from the [Ne II] line and the H30α line.

Comparative study on kinetic adsorption of Cu(II), Cd(II) and Ni(II) ions from aqueous solutions using activated sludge and dried sludge

NASA Astrophysics Data System (ADS)

Ong, Soon-An; Toorisaka, Eiichi; Hirata, Makoto; Hano, Tadashi

2013-03-01

The adsorption of Cu(II), Cd(II) and Ni(II) ions from aqueous solutions by activated sludge and dried sludge was investigated under laboratory conditions to assess its potential in removing metal ions. The adsorption behavior of metal ions onto activated sludge and dried sludge was analyzed with Weber-Morris intra-particle diffusion model, Lagergren first-order model and pseudo second-order model. The rate constant of intra-particle diffusion on activated sludge and dried sludge increased in the sequence of Cu(II) > Ni(II) > Cd(II). According to the regression coefficients, it was observed that the kinetic adsorption data can fit better by the pseudo second-order model compared to the first-order Lagergren model with R 2 > 0.997. The adsorption capacities of metal ions onto activated sludge and dried sludge followed the sequence Ni(II) ≈ Cu(II) > Cd(II) and Cu(II) > Ni(II) > Cd(II).

Longitudinal Stability of the Beck Depression Inventory II: A Latent Trait-State-Occasion Model

ERIC Educational Resources Information Center

Wu, Pei-Chen

2016-01-01

In a six-wave longitudinal study with two cohorts (660 adolescents and 630 young adults), this study investigated the longitudinal stability of the Beck Depression Inventory II (BDI-II) using the Trait-State-Occasion (TSO) model. The results revealed that the full TSO model was the best fitting representation of the depression measured by the…

Adsorption of Pb(II), Cu(II), Cd(II), Zn(II), Ni(II), Fe(II), and As(V) on bacterially produced metal sulfides.

PubMed

Jong, Tony; Parry, David L

2004-07-01

The adsorption of Pb(II), Cu(II), Cd(II), Zn(II), Ni(II), Fe(II) and As(V) onto bacterially produced metal sulfide (BPMS) material was investigated using a batch equilibrium method. It was found that the sulfide material had adsorptive properties comparable with those of other adsorbents with respect to the specific uptake of a range of metals and, the levels to which dissolved metal concentrations in solution can be reduced. The percentage of adsorption increased with increasing pH and adsorbent dose, but decreased with increasing initial dissolved metal concentration. The pH of the solution was the most important parameter controlling adsorption of Cd(II), Cu(II), Fe(II), Ni(II), Pb(II), Zn(II), and As(V) by BPMS. The adsorption data were successfully modeled using the Langmuir adsorption isotherm. Desorption experiments showed that the reversibility of adsorption was low, suggesting high-affinity adsorption governed by chemisorption. The mechanism of adsorption for the divalent metals was thought to be the formation of strong, inner-sphere complexes involving surface hydroxyl groups. However, the mechanism for the adsorption of As(V) by BPMS appears to be distinct from that of surface hydroxyl exchange. These results have important implications to the management of metal sulfide sludge produced by bacterial sulfate reduction.

Studying the highly bent spectra of FR II-type radio galaxies with the KDA EXT model

NASA Astrophysics Data System (ADS)

Kuligowska, Elżbieta

2018-04-01

Context. The Kaiser, Dennett-Thorpe & Alexander (KDA, 1997, MNRAS, 292, 723) EXT model, that is, the extension of the KDA model of Fanaroff & Riley (FR) II-type source evolution, is applied and confronted with the observational data for selected FR II-type radio sources with significantly aged radio spectra. Aim. A sample of FR II-type radio galaxies with radio spectra strongly bent at their highest frequencies is used for testing the usefulness of the KDA EXT model. Methods: The dynamical evolution of FR II-type sources predicted with the KDA EXT model is briefly presented and discussed. The results are then compared to the ones obtained with the classical KDA approach, assuming the source's continuous injection and self-similarity. Results: The results and corresponding diagrams obtained for the eight sample sources indicate that the KDA EXT model predicts the observed radio spectra significantly better than the best spectral fit provided by the original KDA model.

Software package for modeling spin-orbit motion in storage rings

NASA Astrophysics Data System (ADS)

Zyuzin, D. V.

2015-12-01

A software package providing a graphical user interface for computer experiments on the motion of charged particle beams in accelerators, as well as analysis of obtained data, is presented. The software package was tested in the framework of the international project on electric dipole moment measurement JEDI (Jülich Electric Dipole moment Investigations). The specific features of particle spin motion imply the requirement to use a cyclic accelerator (storage ring) consisting of electrostatic elements, which makes it possible to preserve horizontal polarization for a long time. Computer experiments study the dynamics of 106-109 particles in a beam during 109 turns in an accelerator (about 1012-1015 integration steps for the equations of motion). For designing an optimal accelerator structure, a large number of computer experiments on polarized beam dynamics are required. The numerical core of the package is COSY Infinity, a program for modeling spin-orbit dynamics.

Chronic inhibition of Ca(2+)/calmodulin kinase II activity in the pilocarpine model of epilepsy.

PubMed

Churn, S B; Kochan, L D; DeLorenzo, R J

2000-09-01

The development of symptomatic epilepsy is a model of long-term plasticity changes in the central nervous system. The rat pilocarpine model of epilepsy was utilized to study persistent alterations in calcium/calmodulin-dependent kinase II (CaM kinase II) activity associated with epileptogenesis. CaM kinase II-dependent substrate phosphorylation and autophosphorylation were significantly inhibited for up to 6 weeks following epileptogenesis in both the cortex and hippocampus, but not in the cerebellum. The net decrease in CaM kinase II autophosphorylation and substrate phosphorylation was shown to be due to decreased kinase activity and not due to increased phosphatase activity. The inhibition in CaM kinase II activity and the development of epilepsy were blocked by pretreating seizure rats with MK-801 indicating that the long-lasting decrease in CaM kinase II activity was dependent on N-methyl-D-aspartate receptor activation. In addition, the inhibition of CaM kinase II activity was associated in time and regional localization with the development of spontaneous recurrent seizure activity. The decrease in enzyme activity was not attributed to a decrease in the alpha or beta kinase subunit protein expression level. Thus, the significant inhibition of the enzyme occurred without changes in kinase protein expression, suggesting a long-lasting, post-translational modification of the enzyme. This is the first published report of a persistent, post-translational alteration of CaM kinase II activity in a model of epilepsy characterized by spontaneous recurrent seizure activity.

Competitive adsorption of copper(II), cadmium(II), lead(II) and zinc(II) onto basic oxygen furnace slag.

PubMed

Xue, Yongjie; Hou, Haobo; Zhu, Shujing

2009-02-15

Polluted and contaminated water can often contain more than one heavy metal species. It is possible that the behavior of a particular metal species in a solution system will be affected by the presence of other metals. In this study, we have investigated the adsorption of Cd(II), Cu(II), Pb(II), and Zn(II) onto basic oxygen furnace slag (BOF slag) in single- and multi-element solution systems as a function of pH and concentration, in a background solution of 0.01M NaNO(3). In adsorption edge experiments, the pH was varied from 2.0 to 13.0 with total metal concentration 0.84mM in the single element system and 0.21mM each of Cd(II), Cu(II), Pb(II), and Zn(II) in the multi-element system. The value of pH(50) (the pH at which 50% adsorption occurs) was found to follow the sequence Zn>Cu>Pb>Cd in single-element systems, but Pb>Cu>Zn>Cd in the multi-element system. Adsorption isotherms at pH 6.0 in the multi-element systems showed that there is competition among various metals for adsorption sites on BOF slag. The adsorption and potentiometric titrations data for various slag-metal systems were modeled using an extended constant-capacitance surface complexation model that assumed an ion-exchange process below pH 6.5 and the formation of inner-sphere surface complexes at higher pH. Inner-sphere complexation was more dominant for the Cu(II), Pb(II) and Zn(II) systems.

Calcium-manganese oxides as structural and functional models for active site in oxygen evolving complex in photosystem II: lessons from simple models.

PubMed

Najafpour, Mohammad Mahdi

2011-01-01

The oxygen evolving complex in photosystem II which induces the oxidation of water to dioxygen in plants, algae and certain bacteria contains a cluster of one calcium and four manganese ions. It serves as a model to split water by sunlight. Reports on the mechanism and structure of photosystem II provide a more detailed architecture of the oxygen evolving complex and the surrounding amino acids. One challenge in this field is the development of artificial model compounds to study oxygen evolution reaction outside the complicated environment of the enzyme. Calcium-manganese oxides as structural and functional models for the active site of photosystem II are explained and reviewed in this paper. Because of related structures of these calcium-manganese oxides and the catalytic centers of active site of the oxygen evolving complex of photosystem II, the study may help to understand more about mechanism of oxygen evolution by the oxygen evolving complex of photosystem II. Copyright © 2010 Elsevier B.V. All rights reserved.

Antibody-directed neutralization of annexin II (ANX II) inhibits neoangiogenesis and human breast tumor growth in a xenograft model.

PubMed

Sharma, Meena; Blackman, Marc R; Sharma, Mahesh C

2012-02-01

Activation of the fibrinolytic pathway has long been associated with human breast cancer. Plasmin is the major end product of the fibrinolytic pathway and is critical for normal physiological functions. The mechanism by which plasmin is generated in breast cancer is not yet fully described. We previously identified annexin II (ANX II), a fibrinolytic receptor, in human breast tumor tissue samples and observed a strong positive correlation with advanced stage cancer (Sharma et al., 2006a). We further demonstrated that tissue plasminogen activator (tPA) binds to ANX II in invasive breast cancer MDA-MB231cells, which leads to plasmin generation (Sharma et al., 2010). We hypothesize that ANX II-dependent plasmin generation in breast tumor is necessary to trigger the switch to neoangiogenesis, thereby stimulating a more aggressive cancer phenotype. Our immunohistochemical studies of human breast tumor tissues provide compelling evidence of a strong positive correlation between ANX II expression and neoangiogenesis, and suggest that ANX II is a potential target to slow or inhibit breast tumor growth by inhibiting neoangiogenesis. We now report that administration of anti-ANX II antibody potently inhibits the growth of human breast tumor in a xenograft model. Inhibition of tumor growth is at least partly due to attenuation of neoangiogenic activity within the tumor. In vitro studies demonstrate that anti-ANX II antibody inhibits angiogenesis on three dimensional matrigel cultures by eliciting endothelial cell (EC) death likely due to apoptosis. Taken together, these data suggest that selective disruption of the fibrinolytic activity of ANX II may provide a novel strategy for specific inhibition of neoangiogenesis in human breast cancer. Published by Elsevier Inc.

Predictive data modeling of human type II diabetes related statistics

NASA Astrophysics Data System (ADS)

Jaenisch, Kristina L.; Jaenisch, Holger M.; Handley, James W.; Albritton, Nathaniel G.

2009-04-01

During the course of routine Type II treatment of one of the authors, it was decided to derive predictive analytical Data Models of the daily sampled vital statistics: namely weight, blood pressure, and blood sugar, to determine if the covariance among the observed variables could yield a descriptive equation based model, or better still, a predictive analytical model that could forecast the expected future trend of the variables and possibly eliminate the number of finger stickings required to montior blood sugar levels. The personal history and analysis with resulting models are presented.

Competitive adsorption of Pb(II), Cu(II), and Zn(II) ions onto hydroxyapatite-biochar nanocomposite in aqueous solutions

NASA Astrophysics Data System (ADS)

Wang, Yu-Ying; Liu, Yu-Xue; Lu, Hao-Hao; Yang, Rui-Qin; Yang, Sheng-Mao

2018-05-01

A hydroxyapatite-biochar nanocomposite (HAP-BC) was successfully fabricated and its physicochemical properties characterized. The analyses showed that HAP nanoparticles were successfully loaded on the biochar surface. The adsorption of Pb(II), Cu(II), and Zn(II) by HAP-BC was systematically studied in single and ternary metal systems. The results demonstrated that pH affects the adsorption of heavy metals onto HAP-BC. Regarding the adsorption kinetics, the pseudo-second-order model showed the best fit for all three heavy metal ions on HAP-BC. In both single and ternary metal ion systems, the adsorption isotherm of Pb(II) by HAP-BC followed Langmuir model, while those of Cu(II) and Zn(II) fitted well with Freundlich model. The maximum adsorption capacity for each tested metal by HAP-BC was higher than that of pristine rice straw biochar (especially for Pb(II)) or those of other reported adsorbents. Therefore, HAP-BC could explore as a new material for future application in heavy metal removal.

A primer for biomedical scientists on how to execute model II linear regression analysis.

PubMed

Ludbrook, John

2012-04-01

1. There are two very different ways of executing linear regression analysis. One is Model I, when the x-values are fixed by the experimenter. The other is Model II, in which the x-values are free to vary and are subject to error. 2. I have received numerous complaints from biomedical scientists that they have great difficulty in executing Model II linear regression analysis. This may explain the results of a Google Scholar search, which showed that the authors of articles in journals of physiology, pharmacology and biochemistry rarely use Model II regression analysis. 3. I repeat my previous arguments in favour of using least products linear regression analysis for Model II regressions. I review three methods for executing ordinary least products (OLP) and weighted least products (WLP) regression analysis: (i) scientific calculator and/or computer spreadsheet; (ii) specific purpose computer programs; and (iii) general purpose computer programs. 4. Using a scientific calculator and/or computer spreadsheet, it is easy to obtain correct values for OLP slope and intercept, but the corresponding 95% confidence intervals (CI) are inaccurate. 5. Using specific purpose computer programs, the freeware computer program smatr gives the correct OLP regression coefficients and obtains 95% CI by bootstrapping. In addition, smatr can be used to compare the slopes of OLP lines. 6. When using general purpose computer programs, I recommend the commercial programs systat and Statistica for those who regularly undertake linear regression analysis and I give step-by-step instructions in the Supplementary Information as to how to use loss functions. © 2011 The Author. Clinical and Experimental Pharmacology and Physiology. © 2011 Blackwell Publishing Asia Pty Ltd.

Copper(II) and zinc(II) dinuclear enzymes model compounds: The nature of the metal ion in the biological function

NASA Astrophysics Data System (ADS)

Ferraresso, L. G.; de Arruda, E. G. R.; de Moraes, T. P. L.; Fazzi, R. B.; Da Costa Ferreira, A. M.; Abbehausen, C.

2017-12-01

First series transition metals are used abundantly by nature to perform catalytic transformations of several substrates. Furthermore, the cooperative activity of two proximal metal ions is common and represents a highly efficient catalytic system in living organisms. In this work three dinuclear μ-phenolate bridged metal complexes were prepared with copper(II) and zinc(II), resulting in a ZnZn, CuCu and CuZn with the ligand 2-ethylaminodimethylamino phenol (saldman) as model compounds of superoxide dismutase (CuCu and CuZn) and metallo-β-lactamases (ZnZn). Metals are coordinated in a μ-phenolate bridged symmetric system. Cu(II) presents a more distorted structure, while zinc is very symmetric. For this reason, [CuCu(saldman)] shows higher water solubility and also higher lability of the bridge. The antioxidant and hydrolytic beta-lactamase-like activity of the complexes were evaluated. The lability of the bridge seems to be important for the antioxidant activity and is suggested to because of [CuCu(saldman)] presents a lower antioxidant capacity than [CuZn(saldman)], which showed to present a more stable bridge in solution. The hydrolytic activity of the bimetallic complexes was assayed using nitrocefin as substrate and showed [ZnZn(saldman)] as a better catalyst than the Cu(II) analog. The series demonstrates the importance of the nature of the metal center for the biological function and how the reactivity of the model complex can be modulated by coordination chemistry.

Derivation of a 3D pharmacophore model for the angiotensin-II site one receptor

NASA Astrophysics Data System (ADS)

Prendergast, Kristine; Adams, Kym; Greenlee, William J.; Nachbar, Robert B.; Patchett, Arthur A.; Underwood, Dennis J.

1994-10-01

A systematic search has been used to derive a hypothesis for the receptor-bound conformation of A-II antagonists at the AT1 receptor. The validity of the pharmacophore hypothesis has been tested using CoMFA, which included 50 diverse A-II antagonists, spanning four orders of magnitude in activity. The resulting cross-validated R2 of 0.64 (conventional R2 of 0.76) is indicative of a good predictive model of activity, and has been used to estimate potency for a variety of non-peptidyl antagonists. The structural model for the non-peptide has been compared with respect to the natural substrate, A-II, by generating peptide to non-peptide overlays.

Storm Water Management Model Reference Manual Volume II ...

EPA Pesticide Factsheets

SWMM is a dynamic rainfall-runoff simulation model used for single event or long-term (continuous) simulation of runoff quantity and quality from primarily urban areas. The runoff component of SWMM operates on a collection of subcatchment areas that receive precipitation and generate runoff and pollutant loads. The routing portion of SWMM transports this runoff through a system of pipes, channels, storage/treatment devices, pumps, and regulators. SWMM tracks the quantity and quality of runoff generated within each subcatchment, and the flow rate, flow depth, and quality of water in each pipe and channel during a simulation period comprised of multiple time steps. The reference manual for this edition of SWMM is comprised of three volumes. Volume I describes SWMM’s hydrologic models, Volume II its hydraulic models, and Volume III its water quality and low impact development models. This document provides the underlying mathematics for the hydraulic calculations of the Storm Water Management Model (SWMM)

Software package for modeling spin–orbit motion in storage rings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zyuzin, D. V., E-mail: d.zyuzin@fz-juelich.de

2015-12-15

A software package providing a graphical user interface for computer experiments on the motion of charged particle beams in accelerators, as well as analysis of obtained data, is presented. The software package was tested in the framework of the international project on electric dipole moment measurement JEDI (Jülich Electric Dipole moment Investigations). The specific features of particle spin motion imply the requirement to use a cyclic accelerator (storage ring) consisting of electrostatic elements, which makes it possible to preserve horizontal polarization for a long time. Computer experiments study the dynamics of 10{sup 6}–10{sup 9} particles in a beam during 10{supmore » 9} turns in an accelerator (about 10{sup 12}–10{sup 15} integration steps for the equations of motion). For designing an optimal accelerator structure, a large number of computer experiments on polarized beam dynamics are required. The numerical core of the package is COSY Infinity, a program for modeling spin–orbit dynamics.« less

First results of GERDA Phase II and consistency with background models

NASA Astrophysics Data System (ADS)

Agostini, M.; Allardt, M.; Bakalyarov, A. M.; Balata, M.; Barabanov, I.; Baudis, L.; Bauer, C.; Bellotti, E.; Belogurov, S.; Belyaev, S. T.; Benato, G.; Bettini, A.; Bezrukov, L.; Bode1, T.; Borowicz, D.; Brudanin, V.; Brugnera, R.; Caldwell, A.; Cattadori, C.; Chernogorov, A.; D'Andrea, V.; Demidova, E. V.; Di Marco, N.; Domula, A.; Doroshkevich, E.; Egorov, V.; Falkenstein, R.; Frodyma, N.; Gangapshev, A.; Garfagnini, A.; Gooch, C.; Grabmayr, P.; Gurentsov, V.; Gusev, K.; Hakenmüller, J.; Hegai, A.; Heisel, M.; Hemmer, S.; Hofmann, W.; Hult, M.; Inzhechik, L. V.; Janicskó Csáthy, J.; Jochum, J.; Junker, M.; Kazalov, V.; Kihm, T.; Kirpichnikov, I. V.; Kirsch, A.; Kish, A.; Klimenko, A.; Kneißl, R.; Knöpfle, K. T.; Kochetov, O.; Kornoukhov, V. N.; Kuzminov, V. V.; Laubenstein, M.; Lazzaro, A.; Lebedev, V. I.; Lehnert, B.; Liao, H. Y.; Lindner, M.; Lippi, I.; Lubashevskiy, A.; Lubsandorzhiev, B.; Lutter, G.; Macolino, C.; Majorovits, B.; Maneschg, W.; Medinaceli, E.; Miloradovic, M.; Mingazheva, R.; Misiaszek, M.; Moseev, P.; Nemchenok, I.; Palioselitis, D.; Panas, K.; Pandola, L.; Pelczar, K.; Pullia, A.; Riboldi, S.; Rumyantseva, N.; Sada, C.; Salamida, F.; Salathe, M.; Schmitt, C.; Schneider, B.; Schönert, S.; Schreiner, J.; Schulz, O.; Schütz, A.-K.; Schwingenheuer, B.; Selivanenko, O.; Shevzik, E.; Shirchenko, M.; Simgen, H.; Smolnikov, A.; Stanco, L.; Vanhoefer, L.; Vasenko, A. A.; Veresnikova, A.; von Sturm, K.; Wagner, V.; Wegmann, A.; Wester, T.; Wiesinger, C.; Wojcik, M.; Yanovich, E.; Zhitnikov, I.; Zhukov, S. V.; Zinatulina, D.; Zuber, K.; Zuzel, G.

2017-01-01

The GERDA (GERmanium Detector Array) is an experiment for the search of neutrinoless double beta decay (0νββ) in 76Ge, located at Laboratori Nazionali del Gran Sasso of INFN (Italy). GERDA operates bare high purity germanium detectors submersed in liquid Argon (LAr). Phase II of data-taking started in Dec 2015 and is currently ongoing. In Phase II 35 kg of germanium detectors enriched in 76Ge including thirty newly produced Broad Energy Germanium (BEGe) detectors is operating to reach an exposure of 100 kg·yr within about 3 years data taking. The design goal of Phase II is to reduce the background by one order of magnitude to get the sensitivity for T1/20ν = O≤ft( {{{10}26}} \\right){{ yr}}. To achieve the necessary background reduction, the setup was complemented with LAr veto. Analysis of the background spectrum of Phase II demonstrates consistency with the background models. Furthermore 226Ra and 232Th contamination levels consistent with screening results. In the first Phase II data release we found no hint for a 0νββ decay signal and place a limit of this process T1/20ν > 5.3 \\cdot {1025} yr (90% C.L., sensitivity 4.0·1025 yr). First results of GERDA Phase II will be presented.

Design, development, and application of LANDIS-II, a spatial landscape simulation model with flexible temporal and spatial resolution

Treesearch

Robert M. Scheller; James B. Domingo; Brian R. Sturtevant; Jeremy S. Williams; Arnold Rudy; Eric J. Gustafson; David J. Mladenoff

2007-01-01

We introduce LANDIS-II, a landscape model designed to simulate forest succession and disturbances. LANDIS-II builds upon and preserves the functionality of previous LANDIS forest landscape simulation models. LANDIS-II is distinguished by the inclusion of variable time steps for different ecological processes; our use of a rigorous development and testing process used...

Theoretical Modeling of the Magnetic Behavior of Thiacalix[4]arene Tetranuclear Mn(II)2Gd(III)2 and Co(II)2Eu(III)2 Complexes.

PubMed

Aldoshin, Sergey M; Sanina, Nataliya A; Palii, Andrew V; Tsukerblat, Boris S

2016-04-04

In view of a wide perspective of 3d-4f complexes in single-molecule magnetism, here we propose an explanation of the magnetic behavior of the two thiacalix[4]arene tetranuclear heterometallic complexes Mn(II)2Gd(III)2 and Co(II)2Eu(III)2. The energy pattern of the Mn(II)2Gd(III)2 complex evaluated in the framework of the isotropic exchange model exhibits a rotational band of the low-lying spin excitations within which the Landé intervals are affected by the biquadratic spin-spin interactions. The nonmonotonic temperature dependence of the χT product observed for the Mn(II)2Gd(III)2 complex is attributed to the competitive influence of the ferromagnetic Mn-Gd and antiferromagnetic Mn-Mn exchange interactions, the latter being stronger (J(Mn, Mn) = -1.6 cm(-1), Js(Mn, Gd) = 0.8 cm(-1), g = 1.97). The model for the Co(II)2Eu(III)2 complex includes uniaxial anisotropy of the seven-coordinate Co(II) ions and an isotropic exchange interaction in the Co(II)2 pair, while the Eu(III) ions are diamagnetic in their ground states. Best-fit analysis of χT versus T showed that the anisotropic contribution (arising from a large zero-field splitting in Co(II) ions) dominates (weak-exchange limit) in the Co(II)2Eu(III)2 complex (D = 20.5 cm(-1), J = -0.4 cm(-1), gCo = 2.22). This complex is concluded to exhibit an easy plane of magnetization (arising from the Co(II) pair). It is shown that the low-lying part of the spectrum can be described by a highly anisotropic effective spin-(1)/2 Hamiltonian that is deduced for the Co(II)2 pair in the weak-exchange limit.

A Parameter Study for Modeling Mg ii h and k Emission during Solar Flares

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rubio da Costa, Fatima; Kleint, Lucia, E-mail: frubio@stanford.edu

2017-06-20

Solar flares show highly unusual spectra in which the thermodynamic conditions of the solar atmosphere are encoded. Current models are unable to fully reproduce the spectroscopic flare observations, especially the single-peaked spectral profiles of the Mg ii h and k lines. We aim to understand the formation of the chromospheric and optically thick Mg ii h and k lines in flares through radiative transfer calculations. We take a flare atmosphere obtained from a simulation with the radiative hydrodynamic code RADYN as input for a radiative transfer modeling with the RH code. By iteratively changing this model atmosphere and varying thermodynamicmore » parameters such as temperature, electron density, and velocity, we study their effects on the emergent intensity spectra. We reproduce the typical single-peaked Mg ii h and k flare spectral shape and approximate the intensity ratios to the subordinate Mg ii lines by increasing either densities, temperatures, or velocities at the line core formation height range. Additionally, by combining unresolved upflows and downflows up to ∼250 km s{sup −1} within one resolution element, we reproduce the widely broadened line wings. While we cannot unambiguously determine which mechanism dominates in flares, future modeling efforts should investigate unresolved components, additional heat dissipation, larger velocities, and higher densities and combine the analysis of multiple spectral lines.« less

SCIENTIFIC UNCERTAINTIES IN ATMOSPHERIC MERCURY MODELS III: BOUNDARY AND INITIAL CONDITIONS, MODEL GRID RESOLUTION, AND HG(II) REDUCTION MECHANISMS

EPA Science Inventory

In this study we investigate the CMAQ model response in terms of simulated mercury concentration and deposition to boundary/initial conditions (BC/IC), model grid resolution (12- versus 36-km), and two alternative Hg(II) reduction mechanisms. The model response to the change of g...

Phosphate effects on copper(II) and lead(II) sorption to ferrihydrite

NASA Astrophysics Data System (ADS)

Tiberg, Charlotta; Sjöstedt, Carin; Persson, Ingmar; Gustafsson, Jon Petter

2013-11-01

Transport of lead(II) and copper(II) ions in soil is affected by the soil phosphorus status. Part of the explanation may be that phosphate increases the adsorption of copper(II) and lead(II) to iron (hydr)oxides in soil, but the details of these interactions are poorly known. Knowledge about such mechanisms is important, for example, in risk assessments of contaminated sites and development of remediation methods. We used a combination of batch experiments, extended X-ray absorption fine structure (EXAFS) spectroscopy and surface complexation modeling with the three-plane CD-MUSIC model to study the effect of phosphate on sorption of copper(II) and lead(II) to ferrihydrite. The aim was to identify the surface complexes formed and to derive constants for the surface complexation reactions. In the batch experiments phosphate greatly enhanced the adsorption of copper(II) and lead(II) to ferrihydrite at pH < 6. The largest effects were seen for lead(II).

A magnetostructural study of linear NiII MnIII NiII, NiII CrIII NiII and triangular Ni(II)3 species containing (pyridine-2-aldoximato)nickel(II) unit as a building block.

PubMed

Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Chaudhuri, Phalguni

2005-08-07

Three trinuclear complexes, NiII MnIII NiII, NiII CrIII NiII and Ni(II)3 based on (pyridine-2-aldoximato)nickel(II) units are described. Two of them, and , contain metal-centers in linear arrangement, as is revealed by X-ray diffraction. Complex is a homonuclear complex in which the three nickel(II) centers are disposed in a triangular fashion. The compounds were characterized by various physical methods including cyclic voltammetric and variable-temperature (2-290 K) susceptibility measurements. Complexes and display antiferromagnetic exchange coupling of the neighbouring metal centers, while weak ferromagnetic spin exchange between the adjacent Ni II and Cr III ions in is observed. The experimental magnetic data were simulated by using appropriate models.

Three-dimensional modeling of the Ca II H and K lines in the solar atmosphere

NASA Astrophysics Data System (ADS)

Bjørgen, Johan P.; Sukhorukov, Andrii V.; Leenaarts, Jorrit; Carlsson, Mats; de la Cruz Rodríguez, Jaime; Scharmer, Göran B.; Hansteen, Viggo H.

2018-03-01

Context. CHROMIS, a new imaging spectrometer at the Swedish 1-m Solar Telescope (SST), can observe the chromosphere in the H and K lines of Ca II at high spatial and spectral resolution. Accurate modeling as well as an understanding of the formation of these lines are needed to interpret the SST/CHROMIS observations. Such modeling is computationally challenging because these lines are influenced by strong departures from local thermodynamic equilibrium, three-dimensional radiative transfer, and partially coherent resonance scattering of photons. Aim. We aim to model the Ca II H and K lines in 3D model atmospheres to understand their formation and to investigate their diagnostic potential for probing the chromosphere. Methods: We model the synthetic spectrum of Ca II using the radiative transfer code Multi3D in three different radiation-magnetohydrodynamic model atmospheres computed with the Bifrost code. We classify synthetic intensity profiles according to their shapes and study how their features are related to the physical properties in the model atmospheres. We investigate whether the synthetic data reproduce the observed spatially-averaged line shapes, center-to-limb variation and compare this data with SST/CHROMIS images. Results: The spatially-averaged synthetic line profiles show too low central emission peaks, and too small separation between the peaks. The trends of the observed center-to-limb variation of the profiles properties are reproduced by the models. The Ca II H and K line profiles provide a temperature diagnostic of the temperature minimum and the temperature at the formation height of the emission peaks. The Doppler shift of the central depression is an excellent probe of the velocity in the upper chromosphere.

Biosorption of Fe(II) and Mn(II) Ions from Aqueous Solution by Rice Husk Ash

PubMed Central

Zhao, Jiaying; Jiang, Zhao; Shan, Dexin; Lu, Yan

2014-01-01

Rice husk ash (RHA), an agricultural waste, was used as biosorbent for the removal of Iron(II) and Manganese(II) ions from aqueous solutions. The structural and morphological characteristics of RHA and its elemental compositions before and after adsorption of Fe(II) and Mn(II) were determined by scanning electron microscopic (SEM) and X-ray fluorescence (XRF) analyses. Batch experiments were carried out to determine the influence of initial pH, contact time, adsorbent dosage, and initial concentration on the removal of Fe(II) and Mn(II) ions. Langmuir, Freundlich, and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherm of the metal ions by RHA. The correlation coefficient (R 2) of Langmuir and Freundlich isotherm models equals 0.995 and 0.901 for Fe(II), 0.9862 and 0.8924 for Mn(II), respectively, so the Langmuir model fitted the equilibrium data better than the Freundlich isotherm model. The mean free energy values evaluated from the D-R model indicated that the biosorption of Fe(II) and Mn(II) onto RHA was physical in nature. Experimental data also showed that the biosorption processes of both metal ions complied with the pseudo-second-order kinetics. PMID:24982918

Bianchi Type-II String Cosmological Model with Magnetic Field in f ( R, T) Gravity

NASA Astrophysics Data System (ADS)

Sharma, N. K.; Singh, J. K.

2014-09-01

The spatially homogeneous and totally anisotropic Bianchi type-II cosmological solutions of massive strings have been investigated in the presence of the magnetic field in the framework of f( R, T) gravity proposed by Harko et al. (Phys Rev D 84:024020, 2011). With the help of special law of variation for Hubble's parameter proposed by Berman (Nuovo Cimento B 74:182, 1983) cosmological model is obtained in this theory. We consider f( R, T) model and investigate the modification R+ f( T) in Bianchi type-II cosmology with an appropriate choice of a function f( T)= μ T. We use the power law relation between average Hubble parameter H and average scale factor R to find the solution. The assumption of constant deceleration parameter leads to two models of universe, i.e. power law model and exponential model. Some physical and kinematical properties of the model are also discussed.

Equilibrium and kinetic modelling of Cd(II) biosorption by algae Gelidium and agar extraction algal waste.

PubMed

Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

2006-01-01

In this study an industrial algal waste from agar extraction has been used as an inexpensive and effective biosorbent for cadmium (II) removal from aqueous solutions. This biosorbent was compared with the algae Gelidium itself, which is the raw material for agar extraction. Equilibrium data follow both Langmuir and Redlich-Peterson models. The parameters of Langmuir equilibrium model are q(max)=18.0 mgg(-1), b=0.19 mgl(-1) and q(max)=9.7 mgg(-1), b=0.16 mgl(-1), respectively for Gelidium and the algal waste. Kinetic experiments were conducted at initial Cd(II) concentrations in the range 6-91 mgl(-1). Data were fitted to pseudo-first- and second-order Lagergren models. For an initial Cd(II) concentration of 91 mgl(-1) the parameters of the pseudo-first-order Lagergren model are k(1,ads)=0.17 and 0.87 min(-1); q(eq)=16.3 and 8.7 mgg(-1), respectively, for Gelidium and algal waste. Kinetic constants vary with the initial metal concentration. The adsorptive behaviour of biosorbent particles was modelled using a batch reactor mass transfer kinetic model. The model successfully predicts Cd(II) concentration profiles and provides significant insights on the biosorbents performance. The homogeneous diffusivity, D(h), is in the range 0.5-2.2 x10(-8) and 2.1-10.4 x10(-8)cm(2)s(-1), respectively, for Gelidium and algal waste.

The Clinical Teacher for Special Education. Final Report: Volume II; Evaluating the Model.

ERIC Educational Resources Information Center

Schwartz, Louis; Oseroff, Andrew

Effectiveness of the clinical teaching model (CTM) developed at Florida State University is documented in Volume II of the project's final report. Reviewed is literature related to teacher effectiveness and conceptual changes, conceptual models and instructional systems, and evaluation research in education. Research design and procedures are…

An improved NSGA - II algorithm for mixed model assembly line balancing

NASA Astrophysics Data System (ADS)

Wu, Yongming; Xu, Yanxia; Luo, Lifei; Zhang, Han; Zhao, Xudong

2018-05-01

Aiming at the problems of assembly line balancing and path optimization for material vehicles in mixed model manufacturing system, a multi-objective mixed model assembly line (MMAL), which is based on optimization objectives, influencing factors and constraints, is established. According to the specific situation, an improved NSGA-II algorithm based on ecological evolution strategy is designed. An environment self-detecting operator, which is used to detect whether the environment changes, is adopted in the algorithm. Finally, the effectiveness of proposed model and algorithm is verified by examples in a concrete mixing system.

Biokinetic modelling development and analysis of arsenic dissolution into the gastrointestinal tract using SAAM II

NASA Astrophysics Data System (ADS)

Perama, Yasmin Mohd Idris; Siong, Khoo Kok

2018-04-01

A mathematical model comprising 8 compartments were designed to describe the kinetic dissolution of arsenic (As) from water leach purification (WLP) waste samples ingested into the gastrointestinal system. A totally reengineered software system named Simulation, Analysis and Modelling II (SAAM II) was employed to aid in the experimental design and data analysis. As a powerful tool that creates, simulate and analyze data accurately and rapidly, SAAM II computationally creates a system of ordinary differential equations according to the specified compartmental model structure and simulates the solutions based upon the parameter and model inputs provided. The experimental design of in vitro DIN approach was applied to create an artificial gastric and gastrointestinal fluids. These synthetic fluids assay were produced to determine the concentrations of As ingested into the gastrointestinal tract. The model outputs were created based upon the experimental inputs and the recommended fractional transfer rates parameter. As a result, the measured and predicted As concentrations in gastric fluids were much similar against the time of study. In contrast, the concentrations of As in the gastrointestinal fluids were only similar during the first hour and eventually started decreasing until the fifth hours of study between the measured and predicted values. This is due to the loss of As through the fractional transfer rates of q2 compartment to corresponding compartments of q3 and q5 which are involved with excretion and distribution to the whole body, respectively. The model outputs obtained after best fit to the data were influenced significantly by the fractional transfer rates between each compartment. Therefore, a series of compartmental model created with the association of fractional transfer rates parameter with the aid of SAAM II provides better estimation that simulate the kinetic behavior of As ingested into the gastrointestinal system.

The Mg II h and k lines. II - Comparison with synthesized profiles and Ca II K. [solar spectra

NASA Technical Reports Server (NTRS)

Ayres, T. R.; Linsky, J. L.

1976-01-01

Measured high-dispersion center and limb profiles of the solar Mg II h and k resonance lines are compared with synthetic spectra computed with a partial-redistribution formalism and based on several upper-photosphere and lower-chromosphere temperature distributions. Profiles of the analogously formed Ca II K resonance line are also synthesized for the same atmospheric models. The spectrum-synthesis approach is outlined, and the collisional and fixed radiative rates appropriate to the adopted model atoms and solar atmosphere are discussed. It is found that the HSRA and VAL models predict systematically lower intensities in the h, k, and K inner wings than observed and that models with a somewhat higher minimum temperature (about 4450 K) can reproduce the measured inner wings and limb darkening. A 'Ca II' solar model with a minimum temperature of 4450 K is proposed as an alternative to the class of models based on continuum observations.

Multi-metals column adsorption of lead(II), cadmium(II) and manganese(II) onto natural bentonite clay.

PubMed

Alexander, Jock Asanja; Surajudeen, Abdulsalam; Aliyu, El-Nafaty Usman; Omeiza, Aroke Umar; Zaini, Muhammad Abbas Ahmad

2017-10-01

The present work was aimed at evaluating the multi-metals column adsorption of lead(II), cadmium(II) and manganese(II) ions onto natural bentonite. The bentonite clay adsorbent was characterized for physical and chemical properties using X-ray diffraction, X-ray fluorescence, Brunauer-Emmett-Teller surface area and cation exchange capacity. The column performance was evaluated using adsorbent bed height of 5.0 cm, with varying influent concentrations (10 mg/L and 50 mg/L) and flow rates (1.4 mL/min and 2.4 mL/min). The result shows that the breakthrough time for all metal ions ranged from 50 to 480 minutes. The maximum adsorption capacity was obtained at initial concentration of 10 mg/L and flow rate of 1.4 mL/min, with 2.22 mg/g of lead(II), 1.71 mg/g of cadmium(II) and 0.37 mg/g of manganese(II). The order of metal ions removal by natural bentonite is lead(II) > cadmium(II) > manganese(II). The sorption performance and the dynamic behaviour of the column were predicted using Adams-Bohart, Thomas, and Yoon-Nelson models. The linear regression analysis demonstrated that the Thomas and Yoon-Nelson models fitted well with the column adsorption data for all metal ions. The natural bentonite was effective for the treatment of wastewater laden with multi-metals, and the process parameters obtained from this work can be used at the industrial scale.

Comparing Geant4 hadronic models for the WENDI-II rem meter response function.

PubMed

Vanaudenhove, T; Dubus, A; Pauly, N

2013-01-01

The WENDI-II rem meter is one of the most popular neutron dosemeters used to assess a useful quantity of radiation protection, namely the ambient dose equivalent. This is due to its high sensitivity and its energy response that approximately follows the conversion function between neutron fluence and ambient dose equivalent in the range of thermal to 5 GeV. The simulation of the WENDI-II response function with the Geant4 toolkit is then perfectly suited to compare low- and high-energy hadronic models provided by this Monte Carlo code. The results showed that the thermal treatment of hydrogen in polyethylene for neutron <4 eV has a great influence over the whole detector range. Above 19 MeV, both Bertini Cascade and Binary Cascade models show a good correlation with the results found in the literature, while low-energy parameterised models are not suitable for this application.

Job Aids: Descriptive Authoring Flowcharts for Phase II--DESIGN of the Instructional Systems Development Model.

ERIC Educational Resources Information Center

Schulz, Russel E.; Farrell, Jean R.

This resource guide for the use of job aids ("how-to-do-it" guidance) for activities identified in the second phase of the Instructional Systems Development Model (ISD) contains an introduction to the use of job aids, as well as descriptive authoring flowcharts for Blocks II.1 through II.4. The introduction includes definitions;…

An Analysis Plan for the ARCOMS II (Armor Combat Operations Model Support II) Experiment.

DTIC Science & Technology

1983-06-01

In order to facilitate Armor Combat Modeling, the data analysis shculd focus upon the methods which transform the data intc descriptive or predictive ...discussed in Chapter III tc predict the Farameter for probability of detection in time ŕt. This should be compared with the results of the N.4gh -t Vision...J 6A 46.) I-I 0 f U-CL 0~ z o -Z 06 09 03 v 0 0 SJldnYS 10 ON Ipgr Cp o LSTm n at emn itgas 4AA rI z ;A (AZ - 090.0 UlA0 -O ON 404 Fiur CAd &P CC

Double Higgs production at LHC, see-saw type-II and Georgi-Machacek model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Godunov, S. I., E-mail: sgodunov@itep.ru; Vysotsky, M. I., E-mail: vysotsky@itep.ru; Zhemchugov, E. V., E-mail: zhemchugov@itep.ru

2015-03-15

The double Higgs production in the models with isospin-triplet scalars is studied. It is shown that in the see-saw type-II model, the mode with an intermediate heavy scalar, pp → H + X → 2h + X, may have the cross section that is comparable with that in the Standard Model. In the Georgi-Machacek model, this cross section could be much larger than in the Standard Model because the vacuum expectation value of the triplet can be large.

Desertification in the south Junggar Basin, 2000-2009: Part II. Model development and trend analysis

NASA Astrophysics Data System (ADS)

Jiang, Miao; Lin, Yi

2018-07-01

The substantial objective of desertification monitoring is to derive its development trend, which facilitates pre-making policies to handle its potential influences. Aiming at this extreme goal, previous studies have proposed a large number of remote sensing (RS) based methods to retrieve multifold indicators, as reviewed in Part I. However, most of these indicators individually capable of characterizing a single aspect of land attributes, e.g., albedo quantifying land surface reflectivity, cannot show a full picture of desertification processes; few comprehensive RS-based models have either been published. To fill this gap, this Part II was dedicated to developing a RS information model for comprehensively characterizing the desertification and deriving its trend, based on the indicators retrieved in Part I in the same case of the south Junggar Basin, China in the last decade (2000-2009). The proposed model was designed to have three dominant component modules, i.e., the vegetation-relevant sub-model, the soil-relevant sub-model, and the water-relevant sub-model, which synthesize all of the retrieved indicators to integrally reflect the processes of desertification; based on the model-output indices, the desertification trends were derived using the least absolute deviation fitting algorithm. Tests indicated that the proposed model did work and the study area showed different development tendencies for different desertification levels. Overall, this Part II established a new comprehensive RS information model for desertification risk assessment and its trend deriving, and the whole study comprising Part I and Part II advanced a relatively standard framework for RS-based desertification monitoring.

Synthesis, characterization and anti-microbial evaluation of Cu(II), Ni(II), Pt(II) and Pd(II) sulfonylhydrazone complexes; 2D-QSAR analysis of Ni(II) complexes of sulfonylhydrazone derivatives

NASA Astrophysics Data System (ADS)

Özbek, Neslihan; Alyar, Saliha; Alyar, Hamit; Şahin, Ertan; Karacan, Nurcan

2013-05-01

Copper(II), nickel(II), platinum(II) and palladium(II) complexes with 2-hydroxy-1-naphthaldehyde-N-methylpropanesulfonylhydrazone (nafpsmh) derived from propanesulfonic acid-1-methylhydrazide (psmh) were synthesized, their structure were identified, and antimicrobial activity of the compounds was screened against three Gram-positive and three Gram-negative bacteria. The results of antimicrobial studies indicate that Pt(II) and Pd(II) complexes showed the most activity against all bacteria. The crystal structure of 2-hydroxy-1-naphthaldehyde-N-methylpropanesulfonylhydrazone (nafpsmh) was also investigated by X-ray analysis. A series of Ni(II) sulfonyl hydrazone complexes (1-33) was synthesized and tested in vitro against Escherichia coli and Staphylococcus aureus. Their antimicrobial activities were used in the QSAR analysis. Four-parameter QSAR models revealed that nucleophilic reaction index for Ni and O atoms, and HOMO-LUMO energy gap play key roles in the antimicrobial activity.

Curriculum Guides for Level I and Level II: National Manpower Model.

ERIC Educational Resources Information Center

National Inst. on Mental Retardation, Toronto (Ontario).

Curriculum guides to levels I and II of the Canadian National Manpower Model, which elaborate on content originally presented in 1971, are provided for personnel training programs in the field of mental retardation and related handicapping areas. The guides are said to be based on a philosophy that demands society's acceptance of retarded and…

Magnetic Bianchi type II string cosmological model in loop quantum cosmology

NASA Astrophysics Data System (ADS)

Rikhvitsky, Victor; Saha, Bijan; Visinescu, Mihai

2014-07-01

The loop quantum cosmology of the Bianchi type II string cosmological model in the presence of a homogeneous magnetic field is studied. We present the effective equations which provide modifications to the classical equations of motion due to quantum effects. The numerical simulations confirm that the big bang singularity is resolved by quantum gravity effects.

An Angular Overlap Model for Cu(II) Ion in the AMOEBA Polarizable Force Field

PubMed Central

Xiang, Jin Yu; Ponder, Jay W.

2014-01-01

An extensible polarizable force field for transition metal ion was developed based on AMOEBA and the angular overlap model (AOM) with consistent treatment of electrostatics for all atoms. Parameters were obtained by fitting molecular mechanics (MM) energies to various ab initio gas-phase calculations. The results of parameterization were presented for copper (II) ion ligated to water and model fragments of amino acid residues involved in the copper binding sites of type 1 copper proteins. Molecular dynamics (MD) simulations were performed on aqueous copper (II) ion at various temperatures, as well as plastocyanin (1AG6) and azurin (1DYZ). Results demonstrated that the AMOEBA-AOM significantly improves the accuracy of classical MM in a number of test cases when compared to ab initio calculations. The Jahn-Teller distortion for hexa-aqua copper (II) complex was handled automatically without specifically designating axial and in-plane ligands. Analyses of MD trajectories resulted in a 6-coordination first solvation shell for aqueous copper (II) ion and a 1.8ns average residence time of water molecules. The ensemble average geometries of 1AG6 and 1DYZ copper binding sites were in general agreement with X-ray and previous computational studies. PMID:25045338

Model for fluorescence quenching in light harvesting complex II in different aggregation states.

PubMed

Andreeva, Atanaska; Abarova, Silvia; Stoitchkova, Katerina; Busheva, Mira

2009-02-01

Low-temperature (77 K) steady-state fluorescence emission spectroscopy and dynamic light scattering were applied to the main chlorophyll a/b protein light harvesting complex of photosystem II (LHC II) in different aggregation states to elucidate the mechanism of fluorescence quenching within LHC II oligomers. Evidences presented that LHC II oligomers are heterogeneous and consist of large and small particles with different fluorescence yield. At intermediate detergent concentrations the mean size of the small particles is similar to that of trimers, while the size of large particles is comparable to that of aggregated trimers without added detergent. It is suggested that in small particles and trimers the emitter is monomeric chlorophyll, whereas in large aggregates there is also another emitter, which is a poorly fluorescing chlorophyll associate. A model, describing populations of antenna chlorophyll molecules in small and large aggregates in their ground and first singlet excited states, is considered. The model enables us to obtain the ratio of the singlet excited-state lifetimes in small and large particles, the relative amount of chlorophyll molecules in large particles, and the amount of quenchers as a function of the degree of aggregation. These dependencies reveal that the quenching of the chl a fluorescence upon aggregation is due to the formation of large aggregates and the increasing of the amount of chlorophyll molecules forming these aggregates. As a consequence, the amount of quenchers, located in large aggregates, is increased, and their singlet excited-state lifetimes steeply decrease.

Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery

NASA Astrophysics Data System (ADS)

Surasani, V.; Li, L.

2011-12-01

Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.

Thermodynamic Analysis of Nickel(II) and Zinc(II) Adsorption to Biochar.

PubMed

Alam, Md Samrat; Gorman-Lewis, Drew; Chen, Ning; Flynn, Shannon L; Ok, Yong Sik; Konhauser, Kurt O; Alessi, Daniel S

2018-05-21

While numerous studies have investigated metal uptake from solution by biochar, few of these have developed a mechanistic understanding of the adsorption reactions that occur at the biochar surface. In this study, we explore a combined modeling and spectroscopic approach for the first time to describe the molecular level adsorption of Ni(II) and Zn(II) to five types of biochar. Following thorough characterization, potentiometric titrations were carried out to measure the proton (H + ) reactivity of each biochar, and the data was used to develop protonation models. Surface complexation modeling (SCM) supported by synchrotron-based extended X-ray absorption fine structure (EXAFS) was then used to gain insights into the molecular scale metal-biochar surface reactions. The SCM approach was combined with isothermal titration calorimetry (ITC) data to determine the thermodynamic driving forces of metal adsorption. Our results show that the reactivity of biochar toward Ni(II) and Zn(II) directly relates to the site densities of biochar. EXAFS along with FT-IR analyses, suggest that Ni(II) and Zn(II) adsorption occurred primarily through proton-active carboxyl (-COOH) and hydroxyl (-OH) functional groups on the biochar surface. SCM-ITC analyses revealed that the enthalpies of protonation are exothermic and Ni(II) and Zn(II) complexes with biochar surface are slightly exothermic to slightly endothermic. The results obtained from these combined approaches contribute to the better understanding of molecular scale metal adsorption onto the biochar surface, and will facilitate the further development of thermodynamics-based, predictive approaches to biochar removal of metals from contaminated water.

Economic Impacts from Indiana's First 1,000 Megawatts of Wind Power

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tegen, S.; Keyser, D.; Flores-Espino, F.

The magnitude of Indiana's available wind resource indicates that the development of wind power infrastructure has the potential to support millions of dollars of economic activity in the state. The Jobs and Economic Development Impact (JEDI) models, developed by the National Renewable Energy Laboratory, are tools used to estimate some of the economic impacts of energy projects at the state level. JEDI calculates results in the form of jobs, earnings, and economic output in three categories: project development and onsite labor, local revenue and supply chain, and induced impacts. According to this analysis, the first 1,000 MW of wind powermore » development in Indiana (projects built between 2008 and 2011): supported employment totaling more than 4,400 full-time-equivalent jobs in Indiana during the construction periods; supports approximately 260 ongoing Indiana jobs; supported nearly $570 million in economic activity for Indiana during the construction periods; supported and continues to support nearly $40 million in annual Indiana economic activity during the operating periods; generates more than $8 million in annual property taxes; generates nearly $4 million annually in income for Indiana landowners who lease their land for wind energy projects.« less

Task Management in the New ATLAS Production System

NASA Astrophysics Data System (ADS)

De, K.; Golubkov, D.; Klimentov, A.; Potekhin, M.; Vaniachine, A.; Atlas Collaboration

2014-06-01

This document describes the design of the new Production System of the ATLAS experiment at the LHC [1]. The Production System is the top level workflow manager which translates physicists' needs for production level processing and analysis into actual workflows executed across over a hundred Grid sites used globally by ATLAS. As the production workload increased in volume and complexity in recent years (the ATLAS production tasks count is above one million, with each task containing hundreds or thousands of jobs) there is a need to upgrade the Production System to meet the challenging requirements of the next LHC run while minimizing the operating costs. In the new design, the main subsystems are the Database Engine for Tasks (DEFT) and the Job Execution and Definition Interface (JEDI). Based on users' requests, DEFT manages inter-dependent groups of tasks (Meta-Tasks) and generates corresponding data processing workflows. The JEDI component then dynamically translates the task definitions from DEFT into actual workload jobs executed in the PanDA Workload Management System [2]. We present the requirements, design parameters, basics of the object model and concrete solutions utilized in building the new Production System and its components.

Statistics of SU(5) D-brane models on a type II orientifold

NASA Astrophysics Data System (ADS)

Gmeiner, Florian; Stein, Maren

2006-06-01

We perform a statistical analysis of models with SU(5) and flipped SU(5) gauge group in a type II orientifold setup. We investigate the distribution and correlation of properties of these models, including the number of generations and the hidden sector gauge group. Compared to the recent analysis [F. Gmeiner, R. Blumenhagen, G. Honecker, D. Lüst, and T. Weigand, J. High Energy Phys.JHEPFG1029-8479 01 (2006) 004; F. Gmeiner, Fortschr. Phys.FPYKA60015-8208 54, 391 (2006).10.1088/1126-6708/2006/01/004] of models with a standard model-like gauge group, we find very similar results.

Kinetic and isotherm modeling of Cd (II) adsorption by L-cysteine functionalized multi-walled carbon nanotubes as adsorbent.

PubMed

Taghavi, Mahmoud; Zazouli, Mohammad Ali; Yousefi, Zabihollah; Akbari-adergani, Behrouz

2015-11-01

In this study, multi-walled carbon nanotubes were functionalized by L-cysteine to show the kinetic and isotherm modeling of Cd (II) ions onto L-cysteine functionalized multi-walled carbon nanotubes. The adsorption behavior of Cd (II) ion was studied by varying parameters including dose of L-MWCNTs, contact time, and cadmium concentration. Equilibrium adsorption isotherms and kinetics were also investigated based on Cd (II) adsorption tests. The results showed that an increase in contact time and adsorbent dosage resulted in increase of the adsorption rate. The optimum condition of the Cd (II) removal process was found at pH=7.0, 15 mg/L L-MWCNTs dosage, 6 mg/L cadmium concentration, and contact time of 60 min. The removal percent was equal to 89.56 at optimum condition. Langmuir and Freundlich models were employed to analyze the experimental data. The data showed well fitting with the Langmuir model (R2=0.994) with q max of 43.47 mg/g. Analyzing the kinetic data by the pseudo-first-order and pseudo-second-order equations revealed that the adsorption of cadmium using L-MWSNTs following the pseudo-second-order kinetic model with correlation coefficients (R2) equals to 0.998, 0.992, and 0.998 for 3, 6, and 9 mg/L Cd (II) concentrations, respectively. The experimental data fitted very well with the pseudo-second-order. Overall, treatment of polluted solution to Cd (II) by adsorption process using L-MWCNT can be considered as an effective technology.

Better prognostic marker in ICU - APACHE II, SOFA or SAP II!

PubMed

Naqvi, Iftikhar Haider; Mahmood, Khalid; Ziaullaha, Syed; Kashif, Syed Mohammad; Sharif, Asim

2016-01-01

This study was designed to determine the comparative efficacy of different scoring system in assessing the prognosis of critically ill patients. This was a retrospective study conducted in medical intensive care unit (MICU) and high dependency unit (HDU) Medical Unit III, Civil Hospital, from April 2012 to August 2012. All patients over age 16 years old who have fulfilled the criteria for MICU admission were included. Predictive mortality of APACHE II, SAP II and SOFA were calculated. Calibration and discrimination were used for validity of each scoring model. A total of 96 patients with equal gender distribution were enrolled. The average APACHE II score in non-survivors (27.97+8.53) was higher than survivors (15.82+8.79) with statistically significant p value (<0.001). The average SOFA score in non-survivors (9.68+4.88) was higher than survivors (5.63+3.63) with statistically significant p value (<0.001). SAP II average score in non-survivors (53.71+19.05) was higher than survivors (30.18+16.24) with statistically significant p value (<0.001). All three tested scoring models (APACHE II, SAP II and SOFA) would be accurate enough for a general description of our ICU patients. APACHE II has showed better calibration and discrimination power than SAP II and SOFA.

Simulation model for wind energy storage systems. Volume II. Operation manual. [SIMWEST code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warren, A.W.; Edsinger, R.W.; Burroughs, J.D.

1977-08-01

The effort developed a comprehensive computer program for the modeling of wind energy/storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel and pneumatic). An acronym for the program is SIMWEST (Simulation Model for Wind Energy Storage). The level of detail of SIMWEST is consistent with a role of evaluating the economic feasibility as well as the general performance of wind energy systems. The software package consists of two basic programs and a library of system, environmental, and load components. Volume II, the SIMWEST operation manual, describes the usage of the SIMWEST program, the designmore » of the library components, and a number of simple example simulations intended to familiarize the user with the program's operation. Volume II also contains a listing of each SIMWEST library subroutine.« less

BASS-II Experiment

NASA Image and Video Library

2014-08-02

Image taken on card 8 during BASS-II flame test session with reduced O2 partial pressure. Session conducted on GMT 213. The Burning and Suppression of Solids - II (BASS-II) investigation examines the burning and extinction characteristics of a wide variety of fuel samples in microgravity. The BASS-II experiment will guide strategies for materials flammability screening for use in spacecraft as well as provide valuable data on solid fuel burning behavior in microgravity. BASS-II results contribute to the combustion computational models used in the design of fire detection and suppression systems in microgravity and on Earth.

Equilibrium and kinetic modelling of cadmium (II) biosorption by Dried Biomass Aphanothece sp. from aqueous phase

NASA Astrophysics Data System (ADS)

Awalina; Harimawan, A.; Haryani, G. S.; Setiadi, T.

2017-05-01

The Biosorption of cadmium (II) ions on dried biomass of Aphanothece sp.which previously grown in a photobioreactor system with atmospheric carbon dioxide fed input, was studied in a batch system with respect to initial pH, biomass concentration, contact time, and temperature. The biomass exhibited the highest cadmium (II) uptake capacity at 30ºC, initial pH of 8.0±0.2 in 60 minute and initial cadmium (II) ion concentration of 7.76 mg/L. Maximum biosorption capacities were 16.47 mg/g, 54.95 mg/g and 119.05 mg/g at range of initial cadmium (II) 0.96-3.63 mg/L, 1.99-8.10 mg/L and 6.48-54.38 mg/L, respectively. Uptake kinetics follows the pseudo-second order model while equilibrium is best described by Langmuir isotherm model. Isotherms have been used to determine thermodynamic parameter process (free energy change, enthalpy change and entropy change). FTIR analysis of microalgae biomass revealed the presence of amino acids, carboxyl, hydroxyl, sulfhydryl and carbonyl groups, which are responsible for biosorption of metal ions. During repeated sorption/desorption cycles, the ratio of Cd (II) desorption to biosorption decreased from 81% (at first cycle) to only 27% (at the third cycle). Nevertheless, due to its higher biosorption capability than other adsorbent, Aphanothece sp appears to be a good biosorbent for removing metal Cd (II) ions from aqueous phase.

Using Wave and Energetic Particle Observation on Juno to Investigate Low Altitude Magnetospheric Process on Jupiter.

NASA Astrophysics Data System (ADS)

Thorne, R. M.; Li, W.; Ma, Q.; Zhang, X.

2017-12-01

The Juno spacecraft has now made several passes across the polar regions and low altitude equatorial region in the Jovian upper atmosphere. Here we report on a recent analysis of unique Landau resonant wave-particle interactions between low frequency waves and energetic particles which leads to characteristic butterfly distributions in the sub-auroral upper atmosphere of Jupiter. We also report on the characteristics of diffuse auroral precipitation observed by the JEDI and JADE energetic particle detectors equatorward of the main auroral oval, and relate this to remote sensing of the Jovian aurora by the UVS instrument on Juno. The loss cone distributions, measured by the JEDI particle detector, have also been used to investigate the spatial distribution of low altitude anomalies in the Jovian magnetic field.

Kinetics of homogeneous and surface-catalyzed mercury(II) reduction by iron(II)

USGS Publications Warehouse

Amirbahman, Aria; Kent, Douglas B.; Curtis, Gary P.; Marvin-DiPasquale, Mark C.

2013-01-01

Production of elemental mercury, Hg(0), via Hg(II) reduction is an important pathway that should be considered when studying Hg fate in environment. We conducted a kinetic study of abiotic homogeneous and surface-catalyzed Hg(0) production by Fe(II) under dark anoxic conditions. Hg(0) production rate, from initial 50 pM Hg(II) concentration, increased with increasing pH (5.5–8.1) and aqueous Fe(II) concentration (0.1–1 mM). The homogeneous rate was best described by the expression, rhom = khom [FeOH+] [Hg(OH)2]; khom = 7.19 × 10+3 L (mol min)−1. Compared to the homogeneous case, goethite (α-FeOOH) and hematite (α-Fe2O3) increased and γ-alumina (γ-Al2O3) decreased the Hg(0) production rate. Heterogeneous Hg(0) production rates were well described by a model incorporating equilibrium Fe(II) adsorption, rate-limited Hg(II) reduction by dissolved and adsorbed Fe(II), and rate-limited Hg(II) adsorption. Equilibrium Fe(II) adsorption was described using a surface complexation model calibrated with previously published experimental data. The Hg(0) production rate was well described by the expression rhet = khet [>SOFe(II)] [Hg(OH)2], where >SOFe(II) is the total adsorbed Fe(II) concentration; khet values were 5.36 × 10+3, 4.69 × 10+3, and 1.08 × 10+2 L (mol min)−1 for hematite, goethite, and γ-alumina, respectively. Hg(0) production coupled to reduction by Fe(II) may be an important process to consider in ecosystem Hg studies.

Hydration of copper(II): new insights from density functional theory and the COSMO solvation model.

PubMed

Bryantsev, Vyacheslav S; Diallo, Mamadou S; van Duin, Adri C T; Goddard, William A

2008-09-25

The hydrated structure of the Cu(II) ion has been a subject of ongoing debate in the literature. In this article, we use density functional theory (B3LYP) and the COSMO continuum solvent model to characterize the structure and stability of [Cu(H2O)n](2+) clusters as a function of coordination number (4, 5, and 6) and cluster size (n = 4-18). We find that the most thermodynamically favored Cu(II) complexes in the gas phase have a very open four-coordinate structure. They are formed from a stable square-planar [Cu(H2O)8](2+) core stabilized by an unpaired electron in the Cu(II) ion d(x(2)-y(2)) orbital. This is consistent with cluster geometries suggested by recent mass-spectrometric experiments. In the aqueous phase, we find that the more compact five-coordinate square-pyramidal geometry is more stable than either the four-coordinate or six-coordinate clusters in agreement with recent combined EXAFS and XANES studies of aqueous solutions of Cu(II). However, a small energetic difference (approximately 1.4 kcal/mol) between the five- and six-coordinate models with two full hydration shells around the metal ion suggests that both forms may coexist in solution.

EVALUATION AND SENSITIVITY ANALYSES RESULTS OF THE MESOPUFF II MODEL WITH CAPTEX MEASUREMENTS

EPA Science Inventory

The MESOPUFF II regional Lagrangian puff model has been evaluated and tested against measurements from the Cross-Appalachian Tracer Experiment (CAPTEX) data base in an effort to assess its abilIty to simulate the transport and dispersion of a nonreactive, nondepositing tracer plu...

Product-Improvement Test (Phase II), Jetcal Tester, Model H119A.

DTIC Science & Technology

1969-03-05

Ao—A0 51 113 ARMY AVIATION ‘Cs’ BOARD FORT tUCKER ALA — P*OOUCTeII ROVEMCNT TEST ( FHAS ~ I I ) . JETCAL TESTER, MODEL M119A~~’ETC(U) MAR S9...Phase i i ) , Jetcal Tester , Model H 119A , USATECOM Project No. 4-6-5011-03 b . No fur ther consideration be given to the TEMPCAL heater probe as a...essen t i a l component of the Jetcal Tester. e. The service manual instruct ions for con t inu i ty te s t ing of EG1 thermocouples be revised to

Synthesis and characterization of hydroxyapatite nanoparticles impregnated on apple pomace to enhanced adsorption of Pb(II), Cd(II), and Ni(II) ions from aqueous solution.

PubMed

Chand, Piar; Pakade, Yogesh B

2015-07-01

Hydroxyapatite nanoparticles were synthesized, characterized, and impregnated onto apple pomace surface (HANP@AP) for efficient removal of Pb(II), Cd(II), and Ni(II) ions from water. HANP@AP was characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), transmission electron microscope (TEM), X-ray diffraction (XRD), and surface area analysis. Batch sorption studies were carried out to investigate the influence of different parameters as amount of dose (g), pH, time (min), and initial concentration (mg L(-1)) on adsorption process. Experimental kinetic data followed pseudo-second-order model and equilibrium data well fitted to Langmuir adsorption model with maximum adsorption capacities of 303, 250, and 100 mg g(-1) for Pb(II), Cd(II), and Ni(II) ions, respectively. Competitive adsorption of Pb(II), Cd(II), and Ni(II) ions in presences of each other was studied to evaluate the removal efficiency of HANP@AP against multi metal-loaded water. HANP@AP was successfully applied to real industrial wastewater with 100 % removal of all three metal ions even at high concentration. HANP@AP could be recycled for four, four, and three cycles in case of Pb(II), Cd(II) and Ni(II), respectively. The study showed that HANP@AP is fast, cost effective, and environmental friendly adsorbent for removal of Pb(II), Cd(II), and Ni(II) ions from real industrial wastewater.

Modeling alternative binding registers of a minimal immunogenic peptide on two class II major histocompatibility complex (MHC II) molecules predicts polarized T-cell receptor (TCR) contact positions.

PubMed

Murray, J S; Fois, S D S; Schountz, T; Ford, S R; Tawde, M D; Brown, J C; Siahaan, T J

2002-03-01

Several major histocompatibility complex class II (MHC II) complexes with known minimal immunogenic peptides have now been solved by X-ray crystallography. Specificity pockets within the MHC II binding groove provide distinct peptide contacts that influence peptide conformation and define the binding register within different allelic MHC II molecules. Altering peptide ligands with respect to the residues that contact the T-cell receptor (TCR) can drastically change the nature of the ensuing immune response. Here, we provide an example of how MHC II (I-A) molecules may indirectly effect TCR contacts with a peptide and drive functionally distinct immune responses. We modeled the same immunogenic 12-amino acid peptide into the binding grooves of two allelic MHC II molecules linked to distinct cytokine responses against the peptide. Surprisingly, the favored conformation of the peptide in each molecule was distinct with respect to the exposure of the N- or C-terminus of the peptide above the MHC II binding groove. T-cell clones derived from each allelic MHC II genotype were found to be allele-restricted with respect to the recognition of these N- vs. C-terminal residues on the bound peptide. Taken together, these data suggest that MHC II alleles may influence T-cell functions by restricting TCR access to specific residues of the I-A-bound peptide. Thus, these data are of significance to diseases that display genetic linkage to specific MHC II alleles, e.g. type 1 diabetes and rheumatoid arthritis.

Anticonvulsant activity of DNS II fraction in the acute seizure models.

PubMed

Raza, Muhammad Liaquat; Zeeshan, Mohammad; Ahmad, Manzoor; Shaheen, Farzana; Simjee, Shabana U

2010-04-21

Delphinium nordhagenii belongs to family Ranunculaceae, it is widely found in tropical areas of Pakistan. Other species of Delphinium are reported as anticonvulsant and are traditionally used in the treatment of epilepsy. Delphinium nordhagenii is used by local healer in Pakistan but never used for scientific investigation as anticonvulsant. Thus, Delphinium nordhagenii was subjected to bioassay-guided fractionation and the most active fraction, i.e. DNS II acetone was chosen for further testing in the acute seizure models of epilepsy to study the antiepileptic potential in male mice. Different doses (60, 65 and 70mg/kg, i.p.) of DNS II acetone fraction of Delphinium nordhagenii was administered 30min prior the chemoconvulsant's injection in the male mice. Convulsive doses of chemoconvulsants (pentylenetetrazole 90mg/kg, s.c. and picrotoxin 3.15mg/kg, s.c.) were used. The mice were observed 45-90min for the presence of seizures. Moreover, four different doses of DNS II (60, 65, 70 and 100mg/kg, i.p.) were tested in the MES test. The DNS II acetone fraction of Delphinium nordhagenii has exhibited the anticonvulsant actions by preventing the seizures against PTZ- and picrotoxin-induced seizure as well as 100% seizure protection in MES test. The results are comparable with standard AEDs (diazepam 7.5mg/kg, i.p. and phenytoin 20mg/kg, i.p.). These findings suggest that the Delphinium nordhagenii possesses the anticonvulsant activity. Further analysis is needed to confirm the structure and target the extended activity profile. Copyright 2010 Elsevier Ireland Ltd. All rights reserved.

Empirical Modeling of the Redshift Evolution of the [{\\rm{N}}\\,{\\rm{II}}]/Hα Ratio for Galaxy Redshift Surveys

NASA Astrophysics Data System (ADS)

Faisst, Andreas L.; Masters, Daniel; Wang, Yun; Merson, Alexander; Capak, Peter; Malhotra, Sangeeta; Rhoads, James E.

2018-03-01

We present an empirical parameterization of the [N II]/Hα flux ratio as a function of stellar mass and redshift valid at 0 < z < 2.7 and 8.5< {log}(M/{M}ȯ )< 11.0. This description can (i) easily be applied to simulations for modeling [N II]λ6584 line emission, (ii) deblend [N II] and Hα in current low-resolution grism and narrow-band observations to derive intrinsic Hα fluxes, and (iii) reliably forecast the number counts of Hα emission-line galaxies for future surveys, such as those planned for Euclid and the Wide Field Infrared Survey Telescope (WFIRST). Our model combines the evolution of the locus on the Baldwin, Phillips & Terlevich (BPT) diagram measured in spectroscopic data out to z ∼ 2.5 with the strong dependence of [N II]/Hα on stellar mass and [O III]/Hβ observed in local galaxy samples. We find large variations in the [N II]/Hα flux ratio at a fixed redshift due to its dependency on stellar mass; hence, the assumption of a constant [N II] flux contamination fraction can lead to a significant under- or overestimate of Hα luminosities. Specifically, measurements of the intrinsic Hα luminosity function derived from current low-resolution grism spectroscopy assuming a constant 29% contamination of [N II] can be overestimated by factors of ∼8 at {log}(L)> 43.0 for galaxies at redshifts z ∼ 1.5. This has implications for the prediction of Hα emitters for Euclid and WFIRST. We also study the impact of blended Hα and [N II] on the accuracy of measured spectroscopic redshifts.

Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

NASA Astrophysics Data System (ADS)

Oboh, I.; Aluyor, E.; Audu, T.

2015-03-01

The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R2), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.

Hypoglycemic effect of hawthorn in type II diabetes mellitus rat model.

PubMed

Aierken, Aili; Buchholz, Tina; Chen, Chen; Zhang, Xiaoying; Melzig, Matthias F

2017-10-01

Hawthorn is a popular herb in many different traditional medicine systems, including traditional Chinese medicine, where it has long been used for the treatment of hyperglycemia. However, most of its varied biological activities remain unexplored. This study investigated the hypoglycemic effect of hawthorn extracts in type II diabetic (T2DM) rat model. A total of 54 rats were randomly divided into six groups: normal control group; type II diabetic model group (T2DM; these rats were induced by high-fat diet and streptozotocin); high, middle and low concentrations of hawthorn treatment (HT H , HT M and HT L T2DM rats were given hawthorn extract at a dose of 50, 100 and 200 mg kg -1 body weight, respectively); and positive control group (orlistat 40 mg kg -1 body weight). Triglyceride and total cholesterol serum levels were lower in the hawthorn extract-treated groups than in the T2DM control group (P < 0.01). Furthermore, hawthorn extracts decreased blood glucose level and increased plasma insulin release from pancreas. Positive effects of hawthorn against streptozotocin-induced T2DM were demonstrated. This study suggests that hawthorn extract represents a useful agent for the prevention or treatment of T2DM. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Identification of age-dependent motor and neuropsychological behavioural abnormalities in a mouse model of Mucopolysaccharidosis Type II

PubMed Central

Gleitz, Hélène F. E.; O’Leary, Claire; Holley, Rebecca J.

2017-01-01

Severe mucopolysaccharidosis type II (MPS II) is a progressive lysosomal storage disease caused by mutations in the IDS gene, leading to a deficiency in the iduronate-2-sulfatase enzyme that is involved in heparan sulphate and dermatan sulphate catabolism. In constitutive form, MPS II is a multi-system disease characterised by progressive neurocognitive decline, severe skeletal abnormalities and hepatosplenomegaly. Although enzyme replacement therapy has been approved for treatment of peripheral organs, no therapy effectively treats the cognitive symptoms of the disease and novel therapies are in development to remediate this. Therapeutic efficacy and subsequent validation can be assessed using a variety of outcome measures that are translatable to clinical practice, such as behavioural measures. We sought to consolidate current knowledge of the cognitive, skeletal and motor abnormalities present in the MPS II mouse model by performing time course behavioural examinations of working memory, anxiety, activity levels, sociability and coordination and balance, up to 8 months of age. Cognitive decline associated with alterations in spatial working memory is detectable at 8 months of age in MPS II mice using spontaneous alternation, together with an altered response to novel environments and anxiolytic behaviour in the open-field. Coordination and balance on the accelerating rotarod were also significantly worse at 8 months, and may be associated with skeletal changes seen in MPS II mice. We demonstrate that the progressive nature of MPS II disease is also seen in the mouse model, and that cognitive and motor differences are detectable at 8 months of age using spontaneous alternation, the accelerating rotarod and the open-field tests. This study establishes neurological, motor and skeletal measures for use in pre-clinical studies to develop therapeutic approaches in MPS II. PMID:28207863

Earth System Grid II (ESG): Turning Climate Model Datasets Into Community Resources

NASA Astrophysics Data System (ADS)

Williams, D.; Middleton, D.; Foster, I.; Nevedova, V.; Kesselman, C.; Chervenak, A.; Bharathi, S.; Drach, B.; Cinquni, L.; Brown, D.; Strand, G.; Fox, P.; Garcia, J.; Bernholdte, D.; Chanchio, K.; Pouchard, L.; Chen, M.; Shoshani, A.; Sim, A.

2003-12-01

High-resolution, long-duration simulations performed with advanced DOE SciDAC/NCAR climate models will produce tens of petabytes of output. To be useful, this output must be made available to global change impacts researchers nationwide, both at national laboratories and at universities, other research laboratories, and other institutions. To this end, we propose to create a new Earth System Grid, ESG-II - a virtual collaborative environment that links distributed centers, users, models, and data. ESG-II will provide scientists with virtual proximity to the distributed data and resources that they require to perform their research. The creation of this environment will significantly increase the scientific productivity of U.S. climate researchers by turning climate datasets into community resources. In creating ESG-II, we will integrate and extend a range of Grid and collaboratory technologies, including the DODS remote access protocols for environmental data, Globus Toolkit technologies for authentication, resource discovery, and resource access, and Data Grid technologies developed in other projects. We will develop new technologies for (1) creating and operating "filtering servers" capable of performing sophisticated analyses, and (2) delivering results to users. In so doing, we will simultaneously contribute to climate science and advance the state of the art in collaboratory technology. We expect our results to be useful to numerous other DOE projects. The three-year R&D program will be undertaken by a talented and experienced team of computer scientists at five laboratories (ANL, LBNL, LLNL, NCAR, ORNL) and one university (ISI), working in close collaboration with climate scientists at several sites.

Calpain-10 Activity Underlies Angiotensin II-Induced Aldosterone Production in an Adrenal Glomerulosa Cell Model

PubMed Central

Seremwe, Mutsa; Schnellmann, Rick G.

2015-01-01

Aldosterone is a steroid hormone important in the regulation of blood pressure. Aberrant production of aldosterone results in the development and progression of diseases including hypertension and congestive heart failure; therefore, a complete understanding of aldosterone production is important for developing more effective treatments. Angiotensin II (AngII) regulates steroidogenesis, in part through its ability to increase intracellular calcium levels. Calcium can activate calpains, proteases classified as typical or atypical based on the presence or absence of penta-EF-hands, which are involved in various cellular responses. We hypothesized that calpain, in particular calpain-10, is activated by AngII in adrenal glomerulosa cells and underlies aldosterone production. Our studies showed that pan-calpain inhibitors reduced AngII-induced aldosterone production in 2 adrenal glomerulosa cell models, primary bovine zona glomerulosa and human adrenocortical carcinoma (HAC15) cells, as well as CYP11B2 expression in the HAC15 cells. Although AngII induced calpain activation in these cells, typical calpain inhibitors had no effect on AngII-elicited aldosterone production, suggesting a lack of involvement of classical calpains in this process. However, an inhibitor of the atypical calpain, calpain-10, decreased AngII-induced aldosterone production. Consistent with this result, small interfering RNA (siRNA)-mediated knockdown of calpain-10 inhibited aldosterone production and CYP11B2 expression, whereas adenovirus-mediated overexpression of calpain-10 resulted in increased AngII-induced aldosterone production. Our results indicate that AngII-induced activation of calpain-10 in glomerulosa cells underlies aldosterone production and identify calpain-10 or its downstream pathways as potential targets for the development of drug therapies for the treatment of hypertension. PMID:25836666

Synthesis, characterization and biological activity of complexes of 2-hydroxy-3,5-dimethylacetophenoneoxime (HDMAOX) with copper(II), cobalt(II), nickel(II) and palladium(II)

NASA Astrophysics Data System (ADS)

Singh, Bibhesh K.; Jetley, Umesh K.; Sharma, Rakesh K.; Garg, Bhagwan S.

2007-09-01

A new series of complexes of 2-hydroxy-3,5-dimethyl acetophenone oxime (HDMAOX) with Cu(II), Co(II), Ni(II) and Pd(II) have been prepared and characterized by different physical techniques. Infrared spectra of the complexes indicate deprotonation and coordination of the phenolic OH. It also confirms that nitrogen atom of the oximino group contributes to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square planar geometry for Cu(II), Ni(II) and Pd(II) complexes and tetrahedral geometry for Co(II) complex. The elemental analyses and mass spectral data have justified the ML 2 composition of complexes. Kinetic and thermodynamic parameters were computed from the thermal decomposition data using Coats and Redfern method. The geometry of the metal complexes has been optimized with the help of molecular modeling. The free ligand (HDMAOX) and its metal complexes have been tested in vitro against Alternarie alternate, Aspergillus flavus, Aspergillus nidulans and Aspergillus niger fungi and Streptococcus, Staph, Staphylococcus and Escherchia coli bacteria in order to assess their antimicrobial potential. The results indicate that the ligand and its metal complexes possess antimicrobial properties.

Synthesis, characterization and biological activity of complexes of 2-hydroxy-3,5-dimethylacetophenoneoxime (HDMAOX) with copper(II), cobalt(II), nickel(II) and palladium(II).

PubMed

Singh, Bibhesh K; Jetley, Umesh K; Sharma, Rakesh K; Garg, Bhagwan S

2007-09-01

A new series of complexes of 2-hydroxy-3,5-dimethyl acetophenone oxime (HDMAOX) with Cu(II), Co(II), Ni(II) and Pd(II) have been prepared and characterized by different physical techniques. Infrared spectra of the complexes indicate deprotonation and coordination of the phenolic OH. It also confirms that nitrogen atom of the oximino group contributes to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square planar geometry for Cu(II), Ni(II) and Pd(II) complexes and tetrahedral geometry for Co(II) complex. The elemental analyses and mass spectral data have justified the ML(2) composition of complexes. Kinetic and thermodynamic parameters were computed from the thermal decomposition data using Coats and Redfern method. The geometry of the metal complexes has been optimized with the help of molecular modeling. The free ligand (HDMAOX) and its metal complexes have been tested in vitro against Alternarie alternate, Aspergillus flavus, Aspergillus nidulans and Aspergillus niger fungi and Streptococcus, Staph, Staphylococcus and Escherchia coli bacteria in order to assess their antimicrobial potential. The results indicate that the ligand and its metal complexes possess antimicrobial properties.

Corpuls cpr resuscitation device generates superior emulated flows and pressures than LUCAS II in a mechanical thorax model.

PubMed

Eichhorn, S; Mendoza Garcia, A; Polski, M; Spindler, J; Stroh, A; Heller, M; Lange, R; Krane, M

2017-06-01

The provision of sufficient chest compression is among the most important factors influencing patient survival during cardiopulmonary resuscitation (CPR). One approach to optimize the quality of chest compressions is to use mechanical-resuscitation devices. The aim of this study was to compare a new device for chest compression (corpuls cpr) with an established device (LUCAS II). We used a mechanical thorax model consisting of a chest with variable stiffness and an integrated heart chamber which generated blood flow dependent on the compression depth and waveform. The method of blood-flow generation could be changed between direct cardiac-compression mode and thoracic-pump mode. Different chest-stiffness settings and compression modes were tested to generate various blood-flow profiles. Additionally, an endurance test at high stiffness was performed to measure overall performance and compression consistency. Both resuscitation machines were able to compress the model thorax with a frequency of 100/min and a depth of 5 cm, independent of the chosen chest stiffness. Both devices passed the endurance test without difficulty. The corpuls cpr device was able to generate about 10-40% more blood flow than the LUCAS II device, depending on the model settings. In most scenarios, the corpuls cpr device also generated a higher blood pressure than the LUCAS II. The peak compression forces during CPR were about 30% higher using the corpuls cpr device than with the LUCAS II. In this study, the corpuls cpr device had improved blood flow and pressure outcomes than the LUCAS II device. Further examination in an animal model is required to prove the findings of this preliminary study.

FORUM - FutureTox II: In vitro Data and In Silico Models for ...

EPA Pesticide Factsheets

FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo responses from in vitro and in silico data, and to define the goals for the future. Presentations and discussions were held on priority concerns such as predicting and modeling of metabolism, cell growth and differentiation, effects on sensitive subpopulations, and integrating data into risk assessment. Emerging trends in technologies such as stem cell-derived human cells, 3D organotypic culture models, mathematical modeling of cellular processes and morphogenesis, adverse outcome pathway development, and high-content imaging of in vivo systems were discussed. Although advances in moving towards an in vitro/in silico based risk assessment paradigm were apparent, knowledge gaps in these areas and limitations of technologies were identified. Specific recommendations were made for future directions and research needs in the areas of hepatotoxicity, cancer prediction, developmental toxicity, and regulatory toxicology. This article reports on the outcome of FutureTox II1,2, the second in a series of Society of Toxicology (SOT) Contemporary Concepts in Toxicology (CCT) Workshops, which was attended by invitees and participants from governmental and regulatory agencies, research institutes, academ

Models of H II regions - Heavy element opacity, variation of temperature

NASA Technical Reports Server (NTRS)

Rubin, R. H.

1985-01-01

A detailed set of H II region models that use the same physics and self-consistent input have been computed and are used to examine where in parameter space the effects of heavy element opacity is important. The models are briefly described, and tabular data for the input parameters and resulting properties of the models are presented. It is found that the opacities of C, Ne, O, and to a lesser extent N play a vital role over a large region of parameter space, while S and Ar opacities are negligible. The variation of the average electron temperature T(e) of the models with metal abundance, density, and T(eff) is investigated. It is concluded that by far the most important determinator of T(e) is metal abundance; an almost 7000 K difference is expected over the factor of 10 change from up to down abundances.

Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oboh, I., E-mail: innocentoboh@uniuyo.edu.ng; Aluyor, E.; Audu, T.

The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R{sup 2}), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used tomore » predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.« less

Comparison with CLPX II airborne data using DMRT model

USGS Publications Warehouse

Xu, X.; Liang, D.; Andreadis, K.M.; Tsang, L.; Josberger, E.G.

2009-01-01

In this paper, we considered a physical-based model which use numerical solution of Maxwell Equations in three-dimensional simulations and apply into Dense Media Radiative Theory (DMRT). The model is validated in two specific dataset from the second Cold Land Processes Experiment (CLPX II) at Alaska and Colorado. The data were all obtain by the Ku-band (13.95GHz) observations using airborne imaging polarimetric scatterometer (POLSCAT). Snow is a densely packed media. To take into account the collective scattering and incoherent scattering, analytical Quasi-Crystalline Approximation (QCA) and Numerical Maxwell Equation Method of 3-D simulation (NMM3D) are used to calculate the extinction coefficient and phase matrix. DMRT equations were solved by iterative solution up to 2nd order for the case of small optical thickness and full multiple scattering solution by decomposing the diffuse intensities into Fourier series was used when optical thickness exceed unity. It was shown that the model predictions agree with the field experiment not only co-polarization but also cross-polarization. For Alaska region, the input snow structure data was obtain by the in situ ground observations, while for Colorado region, we combined the VIC model to get the snow profile. ??2009 IEEE.

Oral administration of undenatured native chicken type II collagen (UC-II) diminished deterioration of articular cartilage in a rat model of osteoarthritis (OA).

PubMed

Bagi, C M; Berryman, E R; Teo, S; Lane, N E

2017-12-01

The aim of this study was to determine the ability of undenatured native chicken type II collagen (UC-II) to prevent excessive articular cartilage deterioration in a rat model of osteoarthritis (OA). Twenty male rats were subjected to partial medial meniscectomy tear (PMMT) surgery to induce OA. Immediately after the surgery 10 rats received vehicle and another 10 rats oral daily dose of UC-II at 0.66 mg/kg for a period of 8 weeks. In addition 10 naïve rats were used as an intact control and another 10 rats received sham surgery. Study endpoints included a weight-bearing capacity of front and hind legs, serum biomarkers of bone and cartilage metabolism, analyses of subchondral and cancellous bone at the tibial epiphysis and metaphysis, and cartilage pathology at the medial tibial plateau using histological methods. PMMT surgery produced moderate OA at the medial tibial plateau. Specifically, the deterioration of articular cartilage negatively impacted the weight bearing capacity of the operated limb. Immediate treatment with the UC-II preserved the weight-bearing capacity of the injured leg, preserved integrity of the cancellous bone at tibial metaphysis and limited the excessive osteophyte formation and deterioration of articular cartilage. Study results demonstrate that a clinically relevant daily dose of UC-II when applied immediately after injury can improve the mechanical function of the injured knee and prevent excessive deterioration of articular cartilage. Copyright © 2017 The Author(s). Published by Elsevier Ltd.. All rights reserved.

A hybrid phenomenological model for ferroelectroelastic ceramics. Part II: Morphotropic PZT ceramics

NASA Astrophysics Data System (ADS)

Stark, S.; Neumeister, P.; Balke, H.

2016-10-01

In this part II of a two part series, the rate-independent hybrid phenomenological constitutive model introduced in part I is modified to account for the material behavior of morphotropic lead zirconate titanate ceramics (PZT ceramics). The modifications are based on a discussion of the available literature results regarding the micro-structure of these materials. In particular, a monoclinic phase and a highly simplified representation of the hierarchical structure of micro-domains and nano-domains observed experimentally are incorporated into the model. It is shown that experimental data for the commercially available morphotropic PZT material PIC151 (PI Ceramic GmbH, Lederhose, Germany) can be reproduced and predicted based on the modified hybrid model.

Spectrum simulation in DTSA-II.

PubMed

Ritchie, Nicholas W M

2009-10-01

Spectrum simulation is a useful practical and pedagogical tool. Particularly with complex samples or trace constituents, a simulation can help to understand the limits of the technique and the instrument parameters for the optimal measurement. DTSA-II, software for electron probe microanalysis, provides both easy to use and flexible tools for simulating common and less common sample geometries and materials. Analytical models based on (rhoz) curves provide quick simulations of simple samples. Monte Carlo models based on electron and X-ray transport provide more sophisticated models of arbitrarily complex samples. DTSA-II provides a broad range of simulation tools in a framework with many different interchangeable physical models. In addition, DTSA-II provides tools for visualizing, comparing, manipulating, and quantifying simulated and measured spectra.

Modeling and Simulation. II. Specificity Models for Visual Cortex Development.

DTIC Science & Technology

1986-12-12

136; 1978. .1. Barlow, 11. B . and WV. 1H. Levick , The mechanism of directionallv-select ive units In rabbit’s retina, J. Physiol 178, 477d-501; 1965. 5...RESEAR.. UNCLRSSIFIED A B SAUL ET AL. 12 DEC B6 TR-35 F/G 6/16 EEEEEEEEEEEEE EEEEEEEEEEEEEEIEEIIIIIIIIIIIIIl k-0 1.2 33 4.p p ’.r11.P ’.4 % INN’* 8... b ( iiquiet eel Is’ . GAHA~. is 1 rlm hlv thie t ra nsmiitt er for tIi ese nienron" 82, and tIi ei r ,y imap,-es are loea.t e(l ofl (it her t he

Kinetic model to explain the effect of ocean warming and acidification on the Fe(II) oxidation rate in oligotrophic and eutrophic natural waters

NASA Astrophysics Data System (ADS)

González-Dávila, M.; Samperio-Ramos, G.; Santana-Casiano, J. M.; Gonzallez, A. G.; Pérez-Almeida, N.

2016-12-01

The speciation of inorganic Fe(II) as a function of the pH and temperature have been modeled in order to elucidate the inorganic Fe(II) redox behavior over a wide range of scenarios of acidification and global warming of the upper ocean, as well as, changes due to natural ambient fluctuations of pH and temperature. In addition, a kinetic modeling approach has been carried out to elucidate the fractional contribution of most kinetically active Fe(II) species to the overall oxidation rate to improve our future and present knowledge with respect to redox iron chemistry in the marine systems. The kinetic model considers the interactions of Fe(II) with the major ions in seawater, including phosphate and silicate and the competition with copper with the ROS. The model has been applied to the experimental results in order to describe the effect of temperature and pH in the speciation of Fe(II) and to compute the fractional contribution of each Fe(II)-specie to the overall oxidation rate. The oxidation rates (kapp) of nanomolar levels of Fe(II) have been studied in seawater enriched with nutrients (SWEN) in air saturated conditions. The nutrient effect (nitrate, phosphate and silicate), on the oxidation of Fe(II), has been evaluated as a function of pH (7.2-8.2), temperature (5-35 ºC) and salinity (10-37.09). The oxidation of Fe(II) was faster in the presence of nutrient with the change in the Fe(II) oxidation rates (Δlogkapp) more intensive at higher temperatures over the entire pH range studied. From the model it can be observed that the inorganic speciation of Fe(II) is controlled largely by pH, either in SW or in SWEN. A greater presence of Fe-nutrient reactive species (FeH3SiO4+ and FePO4-) in SWEN at higher temperatures explained the changes in the oxidation process. The individual oxidation rates by oxygen, for the Fe(II) most kinetically active species (Fe2+, FeOH+, Fe(OH)2, FeCO3(OH)-, FeCO3, Fe(CO3)22-, FeH3SiO3+, FePO4-), were fitted as a function of the

Empirical calibration of the near-infrared CaII triplet - IV. The stellar population synthesis models

NASA Astrophysics Data System (ADS)

Vazdekis, A.; Cenarro, A. J.; Gorgas, J.; Cardiel, N.; Peletier, R. F.

2003-04-01

We present a new evolutionary stellar population synthesis model, which predicts spectral energy distributions for single-age single-metallicity stellar populations (SSPs) at resolution 1.5 Å (FWHM) in the spectral region of the near-infrared CaII triplet feature. The main ingredient of the model is a new extensive empirical stellar spectral library that has been recently presented by Cenarro et al., which is composed of more than 600 stars with an unprecedented coverage of the stellar atmospheric parameters. Two main products of interest for stellar population analysis are presented. The first is a spectral library for SSPs with metallicities -1.7 < [Fe/H] < +0.2, a large range of ages (0.1-18 Gyr) and initial mass function (IMF) types. They are well suited to modelling galaxy data, since the SSP spectra, with flux-calibrated response curves, can be smoothed to the resolution of the observational data, taking into account the internal velocity dispersion of the galaxy, allowing the user to analyse the observed spectrum in its own system. We also produce integrated absorption-line indices (namely CaT*, CaT and PaT) for the same SSPs in the form of equivalent widths. We find the following behaviour for the CaII triplet feature in old-aged SSPs: (i) the strength of the CaT* index does not change much with time for all metallicities for ages larger than ~3 Gyr; (ii) this index shows a strong dependence on metallicity for values below [M/H]~-0.5 and (iii) for larger metallicities this feature does not show a significant dependence either on age or on the metallicity, being more sensitive to changes in the slope of power-like IMF shapes. The SSP spectra have been calibrated with measurements for globular clusters by Armandroff & Zinn, which are well reproduced, probing the validity of using the integrated CaII triplet feature for determining the metallicities of these systems. Fitting the models to two early-type galaxies of different luminosities (NGC 4478 and 4365

Interactions between copper(II) and DOM in the urban stormwater runoff: modeling and characterizations.

PubMed

Zhao, Chen; Wang, Chong-Chen; Li, Jun-Qi; Wang, Peng; Ou, Jia-Qi; Cui, Jing-Rui

2018-01-01

Dissolved organic matter (DOM) can strongly interact with both organic and inorganic contaminants to influence their transportation, transformation, bioavailability, toxicity and even their ultimate fate. Within this work, DOM was extracted from urban stormwater runoff samples collected from a regular sampling site of a typical residential area in Beijing, China. Copper(II) ions were selected as model to investigate the interactions between DOM and typical heavy metals. Both ultraviolet (UV) absorbance and fluorescence titration methods were introduced to determine the complex capacities (C L ) and conditional stability constants (log K M ) of bonding between DOM and copper (II) ions, which revealed that the values of C L were 85.62 and 87.23 μmol mg -1 and the log K M values were 5.37 and 5.48, respectively. The results suggested the successful complexation between DOM and copper(II) ions. Furthermore, morphology of the DOM binding to copper(II) ions was confirmed by both energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS), which can facilitate to clarify the corresponding mechanism. The Cu 2p 3/2 peak at 933.7 eV and the characteristic shake-up peaks of Cu-O were found in the XPS spectra, implying that copper(II) ions might coordinate with hydroxyl (aliphatic or phenolic) or carboxyl groups. With these profitable results, it can be concluded that DOM in urban stormwater runoff has a strong binding affinity with copper(II) ions, which may further lead to potentially significant influence on their migration and transformation.

Biosorption characteristics of copper (II), chromium (III), nickel (II), and lead (II) from aqueous solutions by Chara sp. and Cladophora sp.

PubMed

Elmaci, Ayşe; Yonar, Taner; Ozengin, Nihan

2007-09-01

The aim of this research was to expose individual removals of copper, chromium, nickel, and lead from aqueous solutions via biosorption using nonliving algae species, Chara sp. and Cladophora sp. Optimum pH values for biosorption of copper (II), chromium (III), nickel (II), and lead (II) from aqueous solutions were determined to be 6, 7, 7, and 3 for Cladophora sp. and 5, 3, 5, and 4 for Chara sp. respectively. Maximum adsorption capacities of Chara sp. [10.54 for chromium (III) and 61.72 for lead (II)] and Cladophora sp. [6.59 for chromium (III) and 16.75 and 23.25 for lead (II)] for chromium (III) and lead (II) are similar. On the other hand, copper (II) and nickel (II) biosorption capacity of Cladophora sp. [14.28 for copper (II) and 16.75 for nickel (II)] is greater than Chara sp. [6.506 for copper (II) and 11.76 for nickel (II)]. Significantly high correlation coefficients indicated for the Langmuir adsorption isotherm models can be used to describe the equilibrium behavior of copper, chromium, nickel, and lead adsorption onto Cladophora sp. and Chara sp.

Detailed p- and s-wave velocity models along the LARSE II transect, Southern California

USGS Publications Warehouse

Murphy, J.M.; Fuis, G.S.; Ryberg, T.; Lutter, W.J.; Catchings, R.D.; Goldman, M.R.

2010-01-01

Structural details of the crust determined from P-wave velocity models can be improved with S-wave velocity models, and S-wave velocities are needed for model-based predictions of strong ground motion in southern California. We picked P- and S-wave travel times for refracted phases from explosive-source shots of the Los Angeles Region Seismic Experiment, Phase II (LARSE II); we developed refraction velocity models from these picks using two different inversion algorithms. For each inversion technique, we calculated ratios of P- to S-wave velocities (VP/VS) where there is coincident P- and S-wave ray coverage.We compare the two VP inverse velocity models to each other and to results from forward modeling, and we compare the VS inverse models. The VS and VP/VS models differ in structural details from the VP models. In particular, dipping, tabular zones of low VS, or high VP/VS, appear to define two fault zones in the central Transverse Ranges that could be parts of a positive flower structure to the San Andreas fault. These two zones are marginally resolved, but their presence in two independent models lends them some credibility. A plot of VS versus VP differs from recently published plots that are based on direct laboratory or down-hole sonic measurements. The difference in plots is most prominent in the range of VP = 3 to 5 km=s (or VS ~ 1:25 to 2:9 km/s), where our refraction VS is lower by a few tenths of a kilometer per second from VS based on direct measurements. Our new VS - VP curve may be useful for modeling the lower limit of VS from a VP model in calculating strong motions from scenario earthquakes.

Production and Isomeric Distribution of Xanthylium Cation Pigments and Their Precursors in Wine-like Conditions: Impact of Cu(II), Fe(II), Fe(III), Mn(II), Zn(II), and Al(III).

PubMed

Guo, Anque; Kontoudakis, Nikolaos; Scollary, Geoffrey R; Clark, Andrew C

2017-03-22

This study establishes the influence of Cu(II), Fe(II), Fe(III), Zn(II), Al(III), and Mn(II) on the oxidative production of xanthylium cations from (+)-catechin and either tartaric acid or glyoxylic acid in model wine systems. The reaction was studied at 25 °C using UHPLC and LC-HRMS for the analysis of phenolic products and their isomeric distribution. In addition to the expected products, a colorless product, tentatively assigned as a lactone, was detected for the first time. The results show the importance of Fe ions and a synergistic influence of Mn(II) in degrading tartaric acid to glyoxylic acid, whereas the other metal ions had minimal activity in this mechanistic step. Fe(II) and Fe(III) were shown to mediate the (+)-catechin-glyoxylic acid addition reaction, a role previously attributed to only Cu(II). Importantly, the study demonstrates that C-8 addition products of (+)-catechin are promoted by Cu(II), whereas C-6 addition products are promoted by Fe ions.

Preliminary Analysis of the Jobs and Economic Impacts of Renewable Energy Projects Supported by the §1603 Treasury Grant Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steinberg, Daniel; Porro, Gian; Goldberg, Marshall

This analysis responds to a request from the Department of Energy Office of Energy Efficiency and Renewable Energy to the National Renewable Energy Laboratory (NREL) to estimate the direct and indirect jobs and economic impacts of projects supported by the §1603 Treasury grant program. The analysis employs the Jobs and Economic Development Impacts (JEDI) models to estimate the gross jobs, earnings, and economic output supported by the construction and operation of the large wind (greater than 1 MW) and solar photovoltaic (PV) projects funded by the §1603 grant program.

Preliminary Analysis of the Jobs and Economic Impacts of Renewable Energy Projects Supported by the ..Section..1603 Treasury Grant Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steinberg, D.; Porro, G.; Goldberg, M.

This analysis responds to a request from the Department of Energy Office of Energy Efficiency and Renewable Energy to the National Renewable Energy Laboratory (NREL) to estimate the direct and indirect jobs and economic impacts of projects supported by the Section 1603 Treasury grant program. The analysis employs the Jobs and Economic Development Impacts (JEDI) models to estimate the gross jobs, earnings, and economic output supported by the construction and operation of the large wind (greater than 1 MW) and solar photovoltaic (PV) projects funded by the Section 1603 grant program.

Preliminary Analysis of the Jobs and Economic Impacts of Renewable Energy Projects Supported by the §1603Treasury Grant Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steinberg, Daniel; Porro, Gian; Goldberg, Marshall

2012-04-01

This analysis responds to a request from the Department of Energy Office of Energy Efficiency and Renewable Energy to the National Renewable Energy Laboratory (NREL) to estimate the direct and indirect jobs and economic impacts of projects supported by the §1603 Treasury grant program. The analysis employs the Jobs and Economic Development Impacts (JEDI) models to estimate the gross jobs, earnings, and economic output supported by the construction and operation of the large wind (greater than 1 MW) and solar photovoltaic (PV) projects funded by the §1603 grant program.

Low dose native type II collagen prevents pain in a rat osteoarthritis model

PubMed Central

2013-01-01

Background Osteoarthritis is the most widespread joint-affecting disease. Patients with osteoarthritis experience pain and impaired mobility resulting in marked reduction of quality of life. A progressive cartilage loss is responsible of an evolving disease difficult to treat. The characteristic of chronicity determines the need of new active disease modifying drugs. Aim of the present research is to evaluate the role of low doses of native type II collagen in the rat model of osteoarthritis induced by sodium monoiodoacetate (MIA). Methods 1, 3 and 10 mg kg-1 porcine native type II collagen were daily per os administered for 13 days starting from the day of MIA intra-articular injection. Results On day 14, collagen-treated rats showed a significant prevention of pain threshold alterations induced by MIA. Evaluation were performed on paws using mechanical noxious (Paw pressure test) or non-noxious (Electronic Von Frey test) stimuli, and a decrease of articular pain was directly measured on the damaged joint (PAM test). The efficacy of collagen in reducing pain was as higher as the dose was lowered. Moreover, a reduced postural unbalance, measured as hind limb weight bearing alterations (Incapacitance test), and a general improvement of motor activity (Animex test) were observed. Finally, the decrease of plasma and urine levels of CTX-II (Cross Linked C-Telopeptide of Type II Collagen), a biomarker of cartilage degradation, suggests a collagen-dependent decrease of structural joint damage. Conclusions These results describe the preclinical efficacy of low dosages of native type II collagen as pain reliever by a mechanism that involves a protective effect on cartilage. PMID:23915264

Evaluation of Sorption Mechanism of Pb (II) and Ni (II) onto Pea (Pisum sativum) Peels.

PubMed

Haq, Atta Ul; Saeed, Muhammad; Anjum, Salma; Bokhari, Tanveer Hussain; Usman, Muhammad; Tubbsum, Saiqa

2017-07-01

The present study was carried out to know the sorption mechanism of Pb (II) and Ni (II) in aqueous solution using pea peels under the influence of sorbent dose, pH, temperature, initial metal ion concentration and contact time. SEM and FTIR were used for characterization of pea peels. The study showed that solution pH affects sorption process and the optimum pH for Pb (II) was 6.0 while for that of Ni (II) was 7.0. Pseudo-second order kinetic model was found to be the most suitable one to explain the kinetic data not only due to high value of R 2 (>0.99) but also due to the closeness of the experimental sorption capacity values to that of calculated sorption capacity values of pseudo second order kinetic model. It can be seen from the results that Freundlich isotherm explains well the equilibrium data (R 2 >0.99). Sorption capacity of pea peels was 140.84 and 32.36 for Pb (II) and Ni (II) mg g -1 respectively. The positive value of ΔH° and negative values of ΔG° suggest that sorption of Pb (II) and Ni (II) onto pea peels is an endothermic and spontaneous process respectively.

The role of myosin II in glioma invasion: A mathematical model

PubMed Central

Lee, Wanho; Lim, Sookkyung; Kim, Yangjin

2017-01-01

Gliomas are malignant tumors that are commonly observed in primary brain cancer. Glioma cells migrate through a dense network of normal cells in microenvironment and spread long distances within brain. In this paper we present a two-dimensional multiscale model in which a glioma cell is surrounded by normal cells and its migration is controlled by cell-mechanical components in the microenvironment via the regulation of myosin II in response to chemoattractants. Our simulation results show that the myosin II plays a key role in the deformation of the cell nucleus as the glioma cell passes through the narrow intercellular space smaller than its nuclear diameter. We also demonstrate that the coordination of biochemical and mechanical components within the cell enables a glioma cell to take the mode of amoeboid migration. This study sheds lights on the understanding of glioma infiltration through the narrow intercellular spaces and may provide a potential approach for the development of anti-invasion strategies via the injection of chemoattractants for localization. PMID:28166231

West African Monsoon Decadal Variability and Surface-Related Forcings: Second West African Monsoon Modeling and Evaluation Project Experiment (WAMME II)

NASA Technical Reports Server (NTRS)

Xue, Yongkang; De Sales, Fernando; Lau, William K-M; Boone, Aaron; Kim, Kyu-Myong; Mechoso, Carlos R.; Wang, Guiling; Kucharski, Fred; Schiro, Kathleen; Hosaka, Masahiro;

Anisotropic Bianchi Type-I and Type-II Bulk Viscous String Cosmological Models Coupled with Zero Mass Scalar Field

NASA Astrophysics Data System (ADS)

Venkateswarlu, R.; Sreenivas, K.

2014-06-01

The LRS Bianchi type-I and type-II string cosmological models are studied when the source for the energy momentum tensor is a bulk viscous stiff fluid containing one dimensional strings together with zero-mass scalar field. We have obtained the solutions of the field equations assuming a functional relationship between metric coefficients when the metric is Bianchi type-I and constant deceleration parameter in case of Bianchi type-II metric. The physical and kinematical properties of the models are discussed in each case. The effects of Viscosity on the physical and kinematical properties are also studied.

Clinical utility of the DSM-5 alternative model for borderline personality disorder: Differential diagnostic accuracy of the BFI, SCID-II-PQ, and PID-5.

PubMed

Fowler, J Christopher; Madan, Alok; Allen, Jon G; Patriquin, Michelle; Sharp, Carla; Oldham, John M; Frueh, B Christopher

2018-01-01

With the publication of DSM 5 alternative model for personality disorders it is critical to assess the components of the model against evidence-based models such as the five factor model and the DSM-IV-TR categorical model. This study explored the relative clinical utility of these models in screening for borderline personality disorder (BPD). Receiver operator characteristics and diagnostic efficiency statistics were calculated for three personality measures to ascertain the relative diagnostic efficiency of each measure. A total of 1653 adult inpatients at a specialist psychiatric hospital completed SCID-II interviews. Sample 1 (n=653) completed the SCID-II interviews, SCID-II Questionnaire (SCID-II-PQ) and the Big Five Inventory (BFI), while Sample 2 (n=1,000) completed the SCID-II interviews, Personality Inventory for DSM5 (PID-5) and the BFI. BFI measure evidenced moderate accuracy for two composites: High Neuroticism+ low agreeableness composite (AUC=0.72, SE=0.01, p<0.001) and High Neuroticism+ Low+Low Conscientiousness (AUC=0.73, SE=0.01, p<0.0001). The SCID-II-PQ evidenced moderate-to-excellent accuracy (AUC=0.86, SE=0.02, p<0.0001) with a good balance of specificity (SP=0.80) and sensitivity (SN=0.78). The PID-5 BPD algorithm (consisting of elevated emotional lability, anxiousness, separation insecurity, hostility, depressivity, impulsivity, and risk taking) evidenced moderate-to-excellent accuracy (AUC=0.87, SE=0.01, p<0.0001) with a good balance of specificity (SP=0.76) and sensitivity (SN=0.81). Findings generally support the use of SCID-II-PQ and PID-5 BPD algorithm for screening purposes. Furthermore, findings support the accuracy of the DSM 5 alternative model Criteria B trait constellation for diagnosing BPD. Limitations of the study include the single inpatient setting and use of two discrete samples to assess PID-5 and SCID-II-PQ. Copyright © 2017 Elsevier Inc. All rights reserved.

FISPACT-II: An Advanced Simulation System for Activation, Transmutation and Material Modelling

NASA Astrophysics Data System (ADS)

Sublet, J.-Ch.; Eastwood, J. W.; Morgan, J. G.; Gilbert, M. R.; Fleming, M.; Arter, W.

2017-01-01

Fispact-II is a code system and library database for modelling activation-transmutation processes, depletion-burn-up, time dependent inventory and radiation damage source terms caused by nuclear reactions and decays. The Fispact-II code, written in object-style Fortran, follows the evolution of material irradiated by neutrons, alphas, gammas, protons, or deuterons, and provides a wide range of derived radiological output quantities to satisfy most needs for nuclear applications. It can be used with any ENDF-compliant group library data for nuclear reactions, particle-induced and spontaneous fission yields, and radioactive decay (including but not limited to TENDL-2015, ENDF/B-VII.1, JEFF-3.2, JENDL-4.0u, CENDL-3.1 processed into fine-group-structure files, GEFY-5.2 and UKDD-16), as well as resolved and unresolved resonance range probability tables for self-shielding corrections and updated radiological hazard indices. The code has many novel features including: extension of the energy range up to 1 GeV; additional neutron physics including self-shielding effects, temperature dependence, thin and thick target yields; pathway analysis; and sensitivity and uncertainty quantification and propagation using full covariance data. The latest ENDF libraries such as TENDL encompass thousands of target isotopes. Nuclear data libraries for Fispact-II are prepared from these using processing codes PREPRO, NJOY and CALENDF. These data include resonance parameters, cross sections with covariances, probability tables in the resonance ranges, PKA spectra, kerma, dpa, gas and radionuclide production and energy-dependent fission yields, supplemented with all 27 decay types. All such data for the five most important incident particles are provided in evaluated data tables. The Fispact-II simulation software is described in detail in this paper, together with the nuclear data libraries. The Fispact-II system also includes several utility programs for code-use optimisation

DIVWAG Model Documentation. Volume II. Programmer/Analyst Manual. Part 1.

DTIC Science & Technology

1976-07-01

that portion of the Intelligence and Control Model regulating supporting aerial fire and artillery. flight corridor: a rectangular area centered along...0.0. N N,( ON ~~ *0,U0 0 ZMN .. .6 N 6’ N N~. C4NANCy 0 -0 0 4.0 4 - 񓿀.104M 2 0 .i..i.6 C4 - - 0) 14 U.U 00 cocoa eeoc a 0iW z0 7 A 0) ;C a a . z 0...modifiers and all required data elements. (1) There are two basic rules regulating the entry of data elements when required by an order or an order modifier

Multi-model study of HTAP II on sulfur and nitrogen deposition

NASA Astrophysics Data System (ADS)

Tan, Jiani; Fu, Joshua S.; Dentener, Frank; Sun, Jian; Emmons, Louisa; Tilmes, Simone; Sudo, Kengo; Flemming, Johannes; Eiof Jonson, Jan; Gravel, Sylvie; Bian, Huisheng; Davila, Yanko; Henze, Daven K.; Lund, Marianne T.; Kucsera, Tom; Takemura, Toshihiko; Keating, Terry

2018-05-01

This study uses multi-model ensemble results of 11 models from the second phase of Task Force Hemispheric Transport of Air Pollution (HTAP II) to calculate the global sulfur (S) and nitrogen (N) deposition in 2010. Modeled wet deposition is evaluated with observation networks in North America, Europe and East Asia. The modeled results agree well with observations, with 76-83 % of stations being predicted within ±50 % of observations. The models underestimate SO42-, NO3- and NH4+ wet depositions in some European and East Asian stations but overestimate NO3- wet deposition in the eastern United States. Intercomparison with previous projects (PhotoComp, ACCMIP and HTAP I) shows that HTPA II has considerably improved the estimation of deposition at European and East Asian stations. Modeled dry deposition is generally higher than the inferential data calculated by observed concentration and modeled velocity in North America, but the inferential data have high uncertainty, too. The global S deposition is 84 Tg(S) in 2010, with 49 % in continental regions and 51 % in the ocean (19 % of which coastal). The global N deposition consists of 59 Tg(N) oxidized nitrogen (NOy) deposition and 64 Tg(N) reduced nitrogen (NHx) deposition in 2010. About 65 % of N is deposited in continental regions, and 35 % in the ocean (15 % of which coastal). The estimated outflow of pollution from land to ocean is about 4 Tg(S) for S deposition and 18 Tg(N) for N deposition. Comparing our results to the results in 2001 from HTAP I, we find that the global distributions of S and N deposition have changed considerably during the last 10 years. The global S deposition decreases 2 Tg(S) (3 %) from 2001 to 2010, with significant decreases in Europe (5 Tg(S) and 55 %), North America (3 Tg(S) and 29 %) and Russia (2 Tg(S) and 26 %), and increases in South Asia (2 Tg(S) and 42 %) and the Middle East (1 Tg(S) and 44 %). The global N deposition increases by 7 Tg(N) (6 %), mainly contributed by South

Nickel(II) biosorption by Rhodotorula glutinis.

PubMed

Suazo-Madrid, Alicia; Morales-Barrera, Liliana; Aranda-García, Erick; Cristiani-Urbina, Eliseo

2011-01-01

The present study reports the feasibility of using Rhodotorula glutinis biomass as an alternative low-cost biosorbent to remove Ni(II) ions from aqueous solutions. Acetone-pretreated R. glutinis cells showed higher Ni(II) biosorption capacity than untreated cells at pH values ranging from 3 to 7.5, with an optimum pH of 7.5. The effects of other relevant environmental parameters, such as initial Ni(II) concentration, shaking contact time and temperature, on Ni(II) biosorption onto acetone-pretreated R. glutinis were evaluated. Significant enhancement of Ni(II) biosorption capacity was observed by increasing initial metal concentration and temperature. Kinetic studies showed that the kinetic data were best described by a pseudo-second-order kinetic model. Among the two-, three-, and four-parameter isotherm models tested, the Fritz-Schluender model exhibited the best fit to experimental data. Thermodynamic parameters (activation energy, and changes in activation enthalpy, activation entropy, and free energy of activation) revealed that the biosorption of Ni(II) ions onto acetone-pretreated R. glutinis biomass is an endothermic and non-spontaneous process, involving chemical sorption with weak interactions between the biosorbent and Ni(II) ions. The high sorption capacity (44.45 mg g(-1) at 25°C, and 63.53 mg g(-1) at 70°C) exhibited by acetone-pretreated R. glutinis biomass places this biosorbent among the best adsorbents currently available for removal of Ni(II) ions from aqueous effluents.

KASCADE-Grande energy reconstruction based on the lateral density distribution using the QGSJet-II.04 interaction model

NASA Astrophysics Data System (ADS)

Gherghel-Lascu, A.; Apel, W. D.; Arteaga-Velázquez, J. C.; Bekk, K.; Bertania, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Fuhrmann, D.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huber, D.; Huege, T.; Kampert, K.-H.; Kang, D.; Klages, H. O.; Link, K.; Łuczak, P.; Mathes, H. J.; Mayer, H. J.; Milke, J.; Mitrica, B.; Morello, C.; Oehlschläger, J.; Ostapchenko, S.; Palmieri, N.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schoo, S.; Schröder, F. G.; Sima, O.; Toma, G.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Zabierowski, J.

2017-06-01

The charged particle densities obtained from CORSIKA simulated EAS, using the QGSJet-II.04 hadronic interaction model are used for primary energy reconstruction. Simulated data are reconstructed by using Lateral Energy Correction Functions computed with a new realistic model of the Grande stations implemented in Geant4.10.

A two-dimensional model study of the QBO signal in SAGE II NO2 and O3

NASA Technical Reports Server (NTRS)

Chipperfield, M. P.; Gray, L. J.; Kinnersley, J. S.; Zawodny, J.

1994-01-01

Calculations of the quasi biennial oscillation (QBO) signal in Stratospheric Aerosol and Gas Experiment (SAGE) II O3 and NO2 data between 1984 and 1991 are presented and have been investigated by using a two-dimensional model. The isentropic 2D model is a fully interactive radiative-dynamical-chemical model in which the eddy fluxes of chemical species are calculated in a consistent manner. The QBO in the model has been forced by relaxing the equatorial zonal wind toward the observations at Singapore allowing the comparison of the model with observations from specific years. The model reproduces the observed vertical structure of the equatorial ozone anomaly with the well-known transition from dynamical to photochemical control at around 28km. The model also reproduces the observed vertical structure of the SAGE II observed NO2 anomaly. The model studies have shown that it is the QBO modulation of NO2 which the main cause of QBO signal in O3 above 30 km. The model also reproduces the observed latitudinal structure of the QBO signals in O3 and NO2. Due to the differing horizontal distribution of O3 and NO(y) the ozone signal shows a distinct phase change in the subtropics whereas the NO2 anomaly gives a broader signal.

A GLOBAL MODEL OF THE LIGHT CURVES AND EXPANSION VELOCITIES OF TYPE II-PLATEAU SUPERNOVAE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pejcha, Ondřej; Prieto, Jose L., E-mail: pejcha@astro.princeton.edu

2015-02-01

We present a new self-consistent and versatile method that derives photospheric radius and temperature variations of Type II-Plateau supernovae based on their expansion velocities and photometric measurements. We apply the method to a sample of 26 well-observed, nearby supernovae with published light curves and velocities. We simultaneously fit ∼230 velocity and ∼6800 mag measurements distributed over 21 photometric passbands spanning wavelengths from 0.19 to 2.2 μm. The light-curve differences among the Type II-Plateau supernovae are well modeled by assuming different rates of photospheric radius expansion, which we explain as different density profiles of the ejecta, and we argue that steeper density profiles resultmore » in flatter plateaus, if everything else remains unchanged. The steep luminosity decline of Type II-Linear supernovae is due to fast evolution of the photospheric temperature, which we verify with a successful fit of SN 1980K. Eliminating the need for theoretical supernova atmosphere models, we obtain self-consistent relative distances, reddenings, and nickel masses fully accounting for all internal model uncertainties and covariances. We use our global fit to estimate the time evolution of any missing band tailored specifically for each supernova, and we construct spectral energy distributions and bolometric light curves. We produce bolometric corrections for all filter combinations in our sample. We compare our model to the theoretical dilution factors and find good agreement for the B and V filters. Our results differ from the theory when the I, J, H, or K bands are included. We investigate the reddening law toward our supernovae and find reasonable agreement with standard R{sub V}∼3.1 reddening law in UBVRI bands. Results for other bands are inconclusive. We make our fitting code publicly available.« less

A Comparison of a Machine Learning Model with EuroSCORE II in Predicting Mortality after Elective Cardiac Surgery: A Decision Curve Analysis

PubMed Central

Allyn, Jérôme; Allou, Nicolas; Augustin, Pascal; Philip, Ivan; Martinet, Olivier; Belghiti, Myriem; Provenchere, Sophie; Montravers, Philippe; Ferdynus, Cyril

2017-01-01

Background The benefits of cardiac surgery are sometimes difficult to predict and the decision to operate on a given individual is complex. Machine Learning and Decision Curve Analysis (DCA) are recent methods developed to create and evaluate prediction models. Methods and finding We conducted a retrospective cohort study using a prospective collected database from December 2005 to December 2012, from a cardiac surgical center at University Hospital. The different models of prediction of mortality in-hospital after elective cardiac surgery, including EuroSCORE II, a logistic regression model and a machine learning model, were compared by ROC and DCA. Of the 6,520 patients having elective cardiac surgery with cardiopulmonary bypass, 6.3% died. Mean age was 63.4 years old (standard deviation 14.4), and mean EuroSCORE II was 3.7 (4.8) %. The area under ROC curve (IC95%) for the machine learning model (0.795 (0.755–0.834)) was significantly higher than EuroSCORE II or the logistic regression model (respectively, 0.737 (0.691–0.783) and 0.742 (0.698–0.785), p < 0.0001). Decision Curve Analysis showed that the machine learning model, in this monocentric study, has a greater benefit whatever the probability threshold. Conclusions According to ROC and DCA, machine learning model is more accurate in predicting mortality after elective cardiac surgery than EuroSCORE II. These results confirm the use of machine learning methods in the field of medical prediction. PMID:28060903

A Comparison of a Machine Learning Model with EuroSCORE II in Predicting Mortality after Elective Cardiac Surgery: A Decision Curve Analysis.

PubMed

Allyn, Jérôme; Allou, Nicolas; Augustin, Pascal; Philip, Ivan; Martinet, Olivier; Belghiti, Myriem; Provenchere, Sophie; Montravers, Philippe; Ferdynus, Cyril

2017-01-01

The benefits of cardiac surgery are sometimes difficult to predict and the decision to operate on a given individual is complex. Machine Learning and Decision Curve Analysis (DCA) are recent methods developed to create and evaluate prediction models. We conducted a retrospective cohort study using a prospective collected database from December 2005 to December 2012, from a cardiac surgical center at University Hospital. The different models of prediction of mortality in-hospital after elective cardiac surgery, including EuroSCORE II, a logistic regression model and a machine learning model, were compared by ROC and DCA. Of the 6,520 patients having elective cardiac surgery with cardiopulmonary bypass, 6.3% died. Mean age was 63.4 years old (standard deviation 14.4), and mean EuroSCORE II was 3.7 (4.8) %. The area under ROC curve (IC95%) for the machine learning model (0.795 (0.755-0.834)) was significantly higher than EuroSCORE II or the logistic regression model (respectively, 0.737 (0.691-0.783) and 0.742 (0.698-0.785), p < 0.0001). Decision Curve Analysis showed that the machine learning model, in this monocentric study, has a greater benefit whatever the probability threshold. According to ROC and DCA, machine learning model is more accurate in predicting mortality after elective cardiac surgery than EuroSCORE II. These results confirm the use of machine learning methods in the field of medical prediction.

Type II Supernova Energetics and Comparison of Light Curves to Shock-cooling Models

NASA Astrophysics Data System (ADS)

Rubin, Adam; Gal-Yam, Avishay; De Cia, Annalisa; Horesh, Assaf; Khazov, Danny; Ofek, Eran O.; Kulkarni, S. R.; Arcavi, Iair; Manulis, Ilan; Yaron, Ofer; Vreeswijk, Paul; Kasliwal, Mansi M.; Ben-Ami, Sagi; Perley, Daniel A.; Cao, Yi; Cenko, S. Bradley; Rebbapragada, Umaa D.; Woźniak, P. R.; Filippenko, Alexei V.; Clubb, K. I.; Nugent, Peter E.; Pan, Y.-C.; Badenes, C.; Howell, D. Andrew; Valenti, Stefano; Sand, David; Sollerman, J.; Johansson, Joel; Leonard, Douglas C.; Horst, J. Chuck; Armen, Stephen F.; Fedrow, Joseph M.; Quimby, Robert M.; Mazzali, Paulo; Pian, Elena; Sternberg, Assaf; Matheson, Thomas; Sullivan, M.; Maguire, K.; Lazarevic, Sanja

2016-03-01

During the first few days after explosion, Type II supernovae (SNe) are dominated by relatively simple physics. Theoretical predictions regarding early-time SN light curves in the ultraviolet (UV) and optical bands are thus quite robust. We present, for the first time, a sample of 57 R-band SN II light curves that are well-monitored during their rise, with \\gt 5 detections during the first 10 days after discovery, and a well-constrained time of explosion to within 1-3 days. We show that the energy per unit mass (E/M) can be deduced to roughly a factor of five by comparing early-time optical data to the 2011 model of Rabinak & Waxman, while the progenitor radius cannot be determined based on R-band data alone. We find that SN II explosion energies span a range of E/M = (0.2-20) × 1051 erg/(10 {M}⊙ ), and have a mean energy per unit mass of < E/M> =0.85× {10}51 erg/(10 {M}⊙ ), corrected for Malmquist bias. Assuming a small spread in progenitor masses, this indicates a large intrinsic diversity in explosion energy. Moreover, E/M is positively correlated with the amount of 56Ni produced in the explosion, as predicted by some recent models of core-collapse SNe. We further present several empirical correlations. The peak magnitude is correlated with the decline rate ({{Δ }}{m}15), the decline rate is weakly correlated with the rise time, and the rise time is not significantly correlated with the peak magnitude. Faster declining SNe are more luminous and have longer rise times. This limits the possible power sources for such events.

Type II Supernova Energetics and Comparison of Light Curves to Shock-Cooling Models

NASA Technical Reports Server (NTRS)

Rubin, Adam; Gal-Yam, Avishay; Cia, Annalisa De; Horesh, Assaf; Khazov, Danny; Ofek, Eran O.; Kulkarni, S. R.; Arcavi, Iair; Manulis, Ilan; Cenko, S. Bradley

2016-01-01

During the first few days after explosion, Type II supernovae (SNe) are dominated by relatively simple physics. Theoretical predictions regarding early-time SN light curves in the ultraviolet (UV) and optical bands are thus quite robust. We present, for the first time, a sample of 57 R-band SN II light curves that are well-monitored during their rise, with greater than 5 detections during the first 10 days after discovery, and a well-constrained time of explosion to within 13 days. We show that the energy per unit mass (E/M) can be deduced to roughly a factor of five by comparing early-time optical data to the 2011 model of Rabinak Waxman, while the progenitor radius cannot be determined based on R-band data alone. We find that SN II explosion energies span a range of EM = (0.2-20) x 10(exp 51) erg/(10 M stellar mass), and have a mean energy per unit mass of E/ M = 0.85 x 10(exp 51) erg(10 stellar mass), corrected for Malmquist bias. Assuming a small spread in progenitor masses, this indicates a large intrinsic diversity in explosion energy. Moreover, E/M is positively correlated with the amount of Ni-56 produced in the explosion, as predicted by some recent models of core-collapse SNe. We further present several empirical correlations. The peak magnitude is correlated with the decline rate (Delta m(sub15), the decline rate is weakly correlated with the rise time, and the rise time is not significantly correlated with the peak magnitude. Faster declining SNe are more luminous and have longer rise times. This limits the possible power sources for such events.

Explaining dark matter and neutrino mass in the light of TYPE-II seesaw model

NASA Astrophysics Data System (ADS)

Biswas, Anirban; Shaw, Avirup

2018-02-01

With the motivation of simultaneously explaining dark matter and neutrino masses, mixing angles, we have invoked the Type-II seesaw model extended by an extra SU(2) doublet Φ. Moreover, we have imposed a Z2 parity on Φ which remains unbroken as the vacuum expectation value of Φ is zero. Consequently, the lightest neutral component of Φ becomes naturally stable and can be a viable dark matter candidate. On the other hand, light Majorana masses for neutrinos have been generated following usual Type-II seesaw mechanism. Further in this framework, for the first time we have derived the full set of vacuum stability and unitarity conditions, which must be satisfied to obtain a stable vacuum as well as to preserve the unitarity of the model respectively. Thereafter, we have performed extensive phenomenological studies of both dark matter and neutrino sectors considering all possible theoretical and current experimental constraints. Finally, we have also discussed a qualitative collider signatures of dark matter and associated odd particles at the 13 TeV Large Hadron Collider.

Person Heterogeneity of the BDI-II-C and Its Effects on Dimensionality and Construct Validity: Using Mixture Item Response Models

ERIC Educational Resources Information Center

Wu, Pei-Chen; Huang, Tsai-Wei

2010-01-01

This study was to apply the mixed Rasch model to investigate person heterogeneity of Beck Depression Inventory-II-Chinese version (BDI-II-C) and its effects on dimensionality and construct validity. Person heterogeneity was reflected by two latent classes that differ qualitatively. Additionally, person heterogeneity adversely affected the…

Optimization of Stripping Voltammetric Sensor by a Back Propagation Artificial Neural Network for the Accurate Determination of Pb(II) in the Presence of Cd(II).

PubMed

Zhao, Guo; Wang, Hui; Liu, Gang; Wang, Zhiqiang

2016-09-21

An easy, but effective, method has been proposed to detect and quantify the Pb(II) in the presence of Cd(II) based on a Bi/glassy carbon electrode (Bi/GCE) with the combination of a back propagation artificial neural network (BP-ANN) and square wave anodic stripping voltammetry (SWASV) without further electrode modification. The effects of Cd(II) in different concentrations on stripping responses of Pb(II) was studied. The results indicate that the presence of Cd(II) will reduce the prediction precision of a direct calibration model. Therefore, a two-input and one-output BP-ANN was built for the optimization of a stripping voltammetric sensor, which considering the combined effects of Cd(II) and Pb(II) on the SWASV detection of Pb(II) and establishing the nonlinear relationship between the stripping peak currents of Pb(II) and Cd(II) and the concentration of Pb(II). The key parameters of the BP-ANN and the factors affecting the SWASV detection of Pb(II) were optimized. The prediction performance of direct calibration model and BP-ANN model were tested with regard to the mean absolute error (MAE), root mean square error (RMSE), average relative error (ARE), and correlation coefficient. The results proved that the BP-ANN model exhibited higher prediction accuracy than the direct calibration model. Finally, a real samples analysis was performed to determine trace Pb(II) in some soil specimens with satisfactory results.

Cadmium(II) and lead(II) adsorption onto hetero-atom functional mesoporous silica and activated carbon

NASA Astrophysics Data System (ADS)

Machida, Motoi; Fotoohi, Babak; Amamo, Yoshimasa; Mercier, Louis

2012-07-01

Adsorption of cadmium(II) and lead(II) on amino-, mercapto-functionalized mesoporous silica (HMS) and carboxylic-functionalized activated carbon (AC) were examined. The resultant isotherms fitted the Langmuir model and amino-functionalized HMS exhibited the highest adsorption capacity for both cadmium(II) and lead(II). Adsorption affinities for cadmium(II) were always greater than those for lead(II) in all three adsorbent types, while the difference between the two values was the largest for mercapto-functionalized HMS indicating a selective adsorption of cadmium(II). Influence of equilibrium solution pH on adsorption of cadmium(II), lead(II) and their binary mixtures was also studied. Carboxylic-functionalized AC adsorbed cadmium(II) and lead(II) in a wide pH range than conditions for the mercapto-functionalized HMS. It was concluded that each functional group had its own characteristics and advantages for adsorption of heavy metal ions; amino-groups showed high adsorption capacity, while mercapto-groups had good selectivity toward cadmium(II) adsorption and a wide solution pH in adsorption by carboxylic-groups were established in this study.

Modeling corticosteroid effects in a rat model of rheumatoid arthritis II: mechanistic pharmacodynamic model for dexamethasone effects in Lewis rats with collagen-induced arthritis.

PubMed

Earp, Justin C; Dubois, Debra C; Molano, Diana S; Pyszczynski, Nancy A; Almon, Richard R; Jusko, William J

2008-08-01

A mechanism-based model for pharmacodynamic effects of dexamethasone (DEX) was incorporated into our model for arthritis disease progression in the rat to aid in identification of the primary factors responsible for edema and bone loss. Collagen-induced arthritis was produced in male Lewis rats after injection of type II porcine collagen. DEX was given subcutaneously in single doses of 0.225 or 2.25 mg/kg or 7-day multiple doses of 0.045 or 0.225 mg/kg at 21 days postdisease induction. Effects on disease progression were measured by paw swelling, bone mineral density (BMD), body weights, plasma corticosterone (CST), and tumor necrosis factor (TNF)-alpha, interleukin (IL)-1beta, IL-6, and glucocorticoid receptor (GR) mRNA expression in paw tissue. Lumbar and femur BMD was determined by PIXImus II dual-energy X-ray absorptiometry. Plasma CST was assayed by high-performance liquid chromatography. Cytokine and GR mRNA were assayed by quantitative real-time polymerase chain reaction. Indirect response models, drug interaction models, transduction processes, and the fifth-generation model of corticosteroid dynamics were integrated and applied using S-ADAPT software to describe how dexamethasone binding to GR can regulate diverse processes. Cytokine mRNA, GR mRNA, plasma CST, and paw edema were suppressed after DEX administration. TNF-alpha mRNA expression and BMD seemed to increase immediately after dosing but were ultimately reduced. Model parameters indicated that IL-6 and IL-1beta were most sensitive to inhibition by DEX. TNF-alpha seemed to primarily influence edema, whereas IL-6 contributed the most to bone loss. Lower doses of corticosteroids may be sufficient to suppress the cytokines most relevant to bone erosion.

VCD Robustness of the Amide-I and Amide-II Vibrational Modes of Small Peptide Models.

PubMed

Góbi, Sándor; Magyarfalvi, Gábor; Tarczay, György

2015-09-01

The rotational strengths and the robustness values of amide-I and amide-II vibrational modes of For(AA)n NHMe (where AA is Val, Asn, Asp, or Cys, n = 1-5 for Val and Asn; n = 1 for Asp and Cys) model peptides with α-helix and β-sheet backbone conformations were computed by density functional methods. The robustness results verify empirical rules drawn from experiments and from computed rotational strengths linking amide-I and amide-II patterns in the vibrational circular dichroism (VCD) spectra of peptides with their backbone structures. For peptides with at least three residues (n ≥ 3) these characteristic patterns from coupled amide vibrational modes have robust signatures. For shorter peptide models many vibrational modes are nonrobust, and the robust modes can be dependent on the residues or on their side chain conformations in addition to backbone conformations. These robust VCD bands, however, provide information for the detailed structural analysis of these smaller systems. © 2015 Wiley Periodicals, Inc.

Catalytic Oxygen Evolution by a Bioinorganic Model of the Photosystem II Oxygen-Evolving Complex

ERIC Educational Resources Information Center

Howard, Derrick L.; Tinoco, Arthur D.; Brudvig, Gary W.; Vrettos, John S.; Allen, Bertha Connie

2005-01-01

Bioinorganic models of the manganese Mn4 cluster are important not only as aids in understanding the structure and function of the oxygen-evolving complex (OEC), but also in developing artificial water-oxidation catalysts. The mechanism of water oxidation by photosystem II (PSII) is thought to involve the formation of a high-valent terminal Mn-oxo…

Selective adsorption of Pb(II), Cd(II), and Ni(II) ions from aqueous solution using chitosan-MAA nanoparticles.

PubMed

Heidari, Aghdas; Younesi, Habibollah; Mehraban, Zahra; Heikkinen, Harri

2013-10-01

Chitosan-MAA nanoparticles (CS-MAA) with an average size of 10-70 nm were prepared by polymerizing chitosan with methacrylic acid in aqueous solution. The physicochemical properties of nanoparticles were investigated using Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), dynamic light scattering (DLS) and nuclear magnetic resonance (NMR). The adsorption of Pb(II), Cd(II) and Ni(II) from aqueous solution on CS-MAA was studied in a batch system. The effects of the solution pH, initial metal concentration, contact time, and dosage of the adsorbent on the adsorption process were examined. The experimental data were analyzed using the pseudo-second-order kinetic equations and the Langmuir, Freundlich and Redlish-Peterson isotherms. The maximum adsorption capacity was 11.30, 1.84, and 0.87 mg/g for Pb(II), Cd(II) and Ni(II) ions, respectively, obtained by the Langmuir isotherm. However, the adsorption isotherm was better explained by the Freundlich rather than by the Langmuir model, as the high correlation coefficients (R(2)>0.99) were obtained at a higher confidence level. Copyright © 2013 Elsevier B.V. All rights reserved.

Monitoring, field experiments, and geochemical modeling of Fe(II) oxidation kinetics in a stream dominated by net-alkaline coal-mine drainage, Pennsylvania, USA

USGS Publications Warehouse

Cravotta, Charles A.

2015-01-01

Watershed-scale monitoring, field aeration experiments, and geochemical equilibrium and kinetic modeling were conducted to evaluate interdependent changes in pH, dissolved CO2, O2, and Fe(II) concentrations that typically take place downstream of net-alkaline, circumneutral coal-mine drainage (CMD) outfalls and during aerobic treatment of such CMD. The kinetic modeling approach, using PHREEQC, accurately simulates observed variations in pH, Fe(II) oxidation, alkalinity consumption, and associated dissolved gas concentrations during transport downstream of the CMD outfalls (natural attenuation) and during 6-h batch aeration tests on the CMD using bubble diffusers (enhanced attenuation). The batch aeration experiments demonstrated that aeration promoted CO2 outgassing, thereby increasing pH and the rate of Fe(II) oxidation. The rate of Fe(II) oxidation was accurately estimated by the abiotic homogeneous oxidation rate law −d[Fe(II)]/dt = k1·[O2]·[H+]−2·[Fe(II)] that indicates an increase in pH by 1 unit at pH 5–8 and at constant dissolved O2 (DO) concentration results in a 100-fold increase in the rate of Fe(II) oxidation. Adjusting for sample temperature, a narrow range of values for the apparent homogeneous Fe(II) oxidation rate constant (k1′) of 0.5–1.7 times the reference value of k1 = 3 × 10−12 mol/L/min (for pH 5–8 and 20 °C), reported by Stumm and Morgan (1996), was indicated by the calibrated models for the 5-km stream reach below the CMD outfalls and the aerated CMD. The rates of CO2 outgassing and O2ingassing in the model were estimated with first-order asymptotic functions, whereby the driving force is the gradient of the dissolved gas concentration relative to equilibrium with the ambient atmosphere. Although the progressive increase in DO concentration to saturation could be accurately modeled as a kinetic function for the conditions evaluated, the simulation of DO as an instantaneous equilibrium process did not affect the

Survey of non-linear hydrodynamic models of type-II Cepheids

NASA Astrophysics Data System (ADS)

Smolec, R.

2016-03-01

We present a grid of non-linear convective type-II Cepheid models. The dense model grids are computed for 0.6 M⊙ and a range of metallicities ([Fe/H] = -2.0, -1.5, -1.0), and for 0.8 M⊙ ([Fe/H] = -1.5). Two sets of convective parameters are considered. The models cover the full temperature extent of the classical instability strip, but are limited in luminosity; for the most luminous models, violent pulsation leads to the decoupling of the outermost model shell. Hence, our survey reaches only the shortest period RV Tau domain. In the Hertzsprung-Russell diagram, we detect two domains in which period-doubled pulsation is possible. The first extends through the BL Her domain and low-luminosity W Vir domain (pulsation periods ˜2-6.5 d). The second domain extends at higher luminosities (W Vir domain; periods >9.5 d). Some models within these domains display period-4 pulsation. We also detect very narrow domains (˜10 K wide) in which modulation of pulsation is possible. Another interesting phenomenon we detect is double-mode pulsation in the fundamental mode and in the fourth radial overtone. Fourth overtone is a surface mode, trapped in the outer model layers. Single-mode pulsation in the fourth overtone is also possible on the hot side of the classical instability strip. The origin of the above phenomena is discussed. In particular, the role of resonances in driving different pulsation dynamics as well as in shaping the morphology of the radius variation curves is analysed.

78 FR 32224 - Availability of Version 3.1.2 of the Connect America Fund Phase II Cost Model; Additional...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-29

... Version 3.1.2 of the Connect America Fund Phase II Cost Model; Additional Discussion Topics in Connect America Cost Model Virtual Workshop AGENCY: Federal Communications Commission. ACTION: Proposed rule... America Cost Model (CAM v3.1.2), which allows Commission staff and interested parties to calculate costs...

Effects of Artesunate on the Expressions of Insulin-Like Growth Factor-1, Osteopontin and C-Telopeptides of Type II Collagen in a Rat Model of Osteoarthritis.

PubMed

Bai, Zhe; Guo, Xiao-Hui; Tang, Chi; Yue, Si-Tong; Shi, Long; Qiang, Bo

2018-01-01

The study aims to explore the effects of artesunate on insulin-like growth factor-1 (IGF-1), Osteopontin (OPN), and C-telopeptides of type II collagen (CTX-II) in serum, synovial fluid (SF), and cartilage tissues of rats with osteoarthritis (OA). OA models were established. Normal model, artesunate, and Viatril-S groups (20 rats respectively) were set. Enzyme-linked immunosorbent assay, IHC staining, and quantitative real-time polymerase chain reaction were conducted to calculate IGF-1, OPN, and CTX-II levels in serum, SF, and cartilage tissues of rats. The pathological changes in cartilage tissues were evaluated with Mankin score and Hematoxylin-Eosin staining. Compared with the normal group, the model group showed increased IGF-1 level; decreased OPN, CTX-II levels in the serum and SF; and contrary results were seen in the cartilage tissues. A gradual ascending IGF-1 level and descending OPN and CTX-II levels existed in the serum and SF in the artesunate and Viatril-S groups after 2 weeks. The model group showed the most obvious pathological changes and highest Mankin score compared with the other groups. Higher IGF-1 level and lower OPN, CTX-II levels were exhibited in the cartilage tissue in the artesunate and Viatril-S groups but not in the model group. Artesunate and Viatril-S inhibit OA development by elevating IGF-1 level and reducing OPN and CTX-II levels. © 2017 S. Karger AG, Basel.

Mesospheric ozone measurements by SAGE II

NASA Technical Reports Server (NTRS)

Chu, D. A.; Cunnold, D. M.

1994-01-01

SAGE II observations of ozone at sunrise and sunset (solar zenith angle = 90 deg) at approximately the same tropical latitude and on the same day exhibit larger concentrations at sunrise than at sunset between 55 and 65 km. Because of the rapid conversion between atomic oxygen and ozone, the onion-peeling scheme used in SAGE II retrievals, which is based on an assumption of constant ozone, is invalid. A one-dimensional photochemical model is used to simulate the diurnal variation of ozone particularly within the solar zenith angle of 80 deg - 100 deg. This model indicates that the retrieved SAGE II sunrise and sunset ozone values are both overestimated. The Chapman reactions produce an adequate simulation of the ozone sunrise/sunset ratio only below 60 km, while above 60 km this ratio is highly affected by the odd oxygen loss due to odd hydrogen reactions, particularly OH. The SAGE II ozone measurements are in excellent agreement with model results to which an onion peeling procedure is applied. The SAGE II ozone observations provide information on the mesospheric chemistry not only through the ozone profile averages but also from the sunrise/sunset ratio.

Systems approach to excitation-energy and electron transfer reaction networks in photosystem II complex: model studies for chlorophyll a fluorescence induction kinetics.

PubMed

Matsuoka, Takeshi; Tanaka, Shigenori; Ebina, Kuniyoshi

2015-09-07

Photosystem II (PS II) is a protein complex which evolves oxygen and drives charge separation for photosynthesis employing electron and excitation-energy transfer processes over a wide timescale range from picoseconds to milliseconds. While the fluorescence emitted by the antenna pigments of this complex is known as an important indicator of the activity of photosynthesis, its interpretation was difficult because of the complexity of PS II. In this study, an extensive kinetic model which describes the complex and multi-timescale characteristics of PS II is analyzed through the use of the hierarchical coarse-graining method proposed in the authors׳ earlier work. In this coarse-grained analysis, the reaction center (RC) is described by two states, open and closed RCs, both of which consist of oxidized and neutral special pairs being in quasi-equilibrium states. Besides, the PS II model at millisecond scale with three-state RC, which was studied previously, could be derived by suitably adjusting the kinetic parameters of electron transfer between tyrosine and RC. Our novel coarse-grained model of PS II can appropriately explain the light-intensity dependent change of the characteristic patterns of fluorescence induction kinetics from O-J-I-P, which shows two inflection points, J and I, between initial point O and peak point P, to O-J-D-I-P, which shows a dip D between J and I inflection points. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modulation of CaM kinase II activity is coincident with induction of status epilepticus in the rat pilocarpine model.

PubMed

Singleton, Michael W; Holbert, William H; Lee, Anh Tuyet; Bracey, James M; Churn, Severn B

2005-09-01

This study was conducted to characterize the early cellular changes in CaM kinase II activity that occur during the induction of status epilepticus (SE). The pilocarpine model of SE was characterized both behaviorally and electrographically. At specific time points after the first discrete seizure, specific brain regions were isolated for biochemical study. Phosphate incorporation into a CaM kinase II-specific substrate, autocamtide III, was used to determine kinase activity. After the development of SE, the data show an immediate inhibition of both cortical and hippocampal CaM kinase II activity in homogenate, but a delayed inhibition in synaptic kinase activity. The maintenance of synaptic kinase activity was due to a translocation of CaM kinase II protein to the synapse. However, despite the translocation of functional kinase, CaM kinase II activity was not maintained, membrane potential was not restored, and the newly translocated CaM kinase II did not terminate the SE event. Unlike the homogenate samples, in the crude synaptoplasmic membrane (SPM) subcellular fractions, a positive correlation is found between the duration of SE and the inhibition of CaM kinase II activity in both the cortex and hippocampus. The data support the hypothesis that alterations of CaM kinase II activity are involved in the early events of SE pathology.

Mechanical behavior of bulk direct composite versus block composite and lithium disilicate indirect Class II restorations by CAD-FEM modeling.

PubMed

Ausiello, Pietro; Ciaramella, Stefano; Fabianelli, Andrea; Gloria, Antonio; Martorelli, Massimo; Lanzotti, Antonio; Watts, David C

2017-06-01

To study the influence of resin based and lithium disilicate materials on the stress and strain distributions in adhesive class II mesio-occlusal-distal (MOD) restorations using numerical finite element analysis (FEA). To investigate the materials combinations in the restored teeth during mastication and their ability to relieve stresses. One 3D model of a sound lower molar and three 3D class II MOD cavity models with 95° cavity-margin-angle shapes were modelled. Different material combinations were simulated: model A, with a 10μm thick resin bonding layer and a resin composite bulk filling material; model B, with a 70μm resin cement with an indirect CAD-CAM resin composite inlay; model C, with a 70μm thick resin cement with an indirect lithium disilicate machinable inlay. To simulate polymerization shrinkage effects in the adhesive layers and bulk fill composite, the thermal expansion approach was used. Shell elements were employed for representing the adhesive layers. 3D solid CTETRA elements with four grid points were employed for modelling the food bolus and tooth. Slide-type contact elements were used between the tooth surface and food. A vertical occlusal load of 600 N was applied, and nodal displacements on the bottom cutting surfaces were constrained in all directions. All the materials were assumed to be isotropic and elastic and a static linear analysis was performed. Displacements were different in models A, B and C. Polymerization shrinkage hardly affected model A and mastication only partially affected mechanical behavior. Shrinkage stress peaks were mainly located marginally along the enamel-restoration interface at occlusal and mesio-distal sites. However, at the internal dentinal walls, stress distributions were critical with the highest maximum stresses concentrated in the proximal boxes. In models B and C, shrinkage stress was only produced by the 70μm thick resin layer, but the magnitudes depended on the Young's modulus (E) of the inlay

Type II supernova energetics and comparison of light curves to shock-cooling models

DOE PAGES

Rubin, Adam; Gal-Yam, Avishay; De Cia, Annalisa; ...

2016-03-16

During the first few days after explosion, Type II supernovae (SNe) are dominated by relatively simple physics. Theoretical predictions regarding early-time SN light curves in the ultraviolet (UV) and optical bands are thus quite robust. We present, for the first time, a sample of 57 R-band SN II light curves that are well-monitored during their rise, withmore » $$\\gt 5$$ detections during the first 10 days after discovery, and a well-constrained time of explosion to within 1–3 days. We show that the energy per unit mass (E/M) can be deduced to roughly a factor of five by comparing early-time optical data to the 2011 model of Rabinak & Waxman, while the progenitor radius cannot be determined based on R-band data alone. We find that SN II explosion energies span a range of E/M = (0.2–20) × 10 51 erg/(10 $${M}_{\\odot }$$), and have a mean energy per unit mass of $$\\langle E/M\\rangle =0.85\\times {10}^{51}$$ erg/(10 $${M}_{\\odot }$$), corrected for Malmquist bias. Assuming a small spread in progenitor masses, this indicates a large intrinsic diversity in explosion energy. Moreover, E/M is positively correlated with the amount of 56Ni produced in the explosion, as predicted by some recent models of core-collapse SNe. We further present several empirical correlations. The peak magnitude is correlated with the decline rate ($${\\rm{\\Delta }}{m}_{15}$$), the decline rate is weakly correlated with the rise time, and the rise time is not significantly correlated with the peak magnitude. Faster declining SNe are more luminous and have longer rise times. Lastly, this limits the possible power sources for such events.« less

Preliminary Evaluation of Air Quality Model Performance Utilizing Measurements at the University of Houston Moody Tower and others during the TexAQS-II

NASA Astrophysics Data System (ADS)

Byun, D. W.; Rappenglueck, B.; Lefer, B.

2007-12-01

Accurate meteorological and photochemical modeling efforts are necessary to understand the measurements made during the Texas Air Quality Study (TexAQS-II). The main objective of the study is to understand the meteorological and chemical processes of high ozone and regional haze events in the Eastern Texas, including the Houston-Galveston metropolitan area. Real-time and retrospective meteorological and photochemical model simulations were performed to study key physical and chemical processes in the Houston Galveston Area. In particular, the Vertical Mixing Experiment (VME) at the University of Houston campus was performed on selected days during the TexAQS-II. Results of the MM5 meteorological model and CMAQ air quality model simulations were compared with the VME and other TexAQS-II measurements to understand the interaction of the boundary layer dynamics and photochemical evolution affecting Houston air quality.

IGF-II promotes neuroprotection and neuroplasticity recovery in a long-lasting model of oxidative damage induced by glucocorticoids.

PubMed

Martín-Montañez, E; Millon, C; Boraldi, F; Garcia-Guirado, F; Pedraza, C; Lara, E; Santin, L J; Pavia, J; Garcia-Fernandez, M

2017-10-01

Insulin-like growth factor-II (IGF-II) is a naturally occurring hormone that exerts neurotrophic and neuroprotective properties in a wide range of neurodegenerative diseases and ageing. Accumulating evidence suggests that the effects of IGF-II in the brain may be explained by its binding to the specific transmembrane receptor, IGFII/M6P receptor (IGF-IIR). However, relatively little is known regarding the role of IGF-II through IGF-IIR in neuroprotection. Here, using adult cortical neuronal cultures, we investigated whether IGF-II exhibits long-term antioxidant effects and neuroprotection at the synaptic level after oxidative damage induced by high and transient levels of corticosterone (CORT). Furthermore, the involvement of the IGF-IIR was also studied to elucidate its role in the neuroprotective actions of IGF-II. We found that neurons treated with IGF-II after CORT incubation showed reduced oxidative stress damage and recovered antioxidant status (normalized total antioxidant status, lipid hydroperoxides and NAD(P) H:quinone oxidoreductase activity). Similar results were obtained when mitochondria function was analysed (cytochrome c oxidase activity, mitochondrial membrane potential and subcellular mitochondrial distribution). Furthermore, neuronal impairment and degeneration were also assessed (synaptophysin and PSD-95 expression, presynaptic function and FluoroJade B® stain). IGF-II was also able to recover the long-lasting neuronal cell damage. Finally, the effects of IGF-II were not blocked by an IGF-IR antagonist, suggesting the involvement of IGF-IIR. Altogether these results suggest that, in or model, IGF-II through IGF-IIR is able to revert the oxidative damage induced by CORT. In accordance with the neuroprotective role of the IGF-II/IGF-IIR reported in our study, pharmacotherapy approaches targeting this pathway may be useful for the treatment of diseases associated with cognitive deficits (i.e., neurodegenerative disorders, depression, etc

SC lipid model membranes designed for studying impact of ceramide species on drug diffusion and permeation--part II: diffusion and permeation of model drugs.

PubMed

Ochalek, M; Podhaisky, H; Ruettinger, H-H; Wohlrab, J; Neubert, R H H

2012-10-01

The barrier function of two quaternary stratum corneum (SC) lipid model membranes, which were previously characterized with regard to the lipid organization, was investigated based on diffusion studies of model drugs with varying lipophilicities. Diffusion experiments of a hydrophilic drug, urea, and more lipophilic drugs than urea (i.e. caffeine, diclofenac sodium) were conducted using Franz-type diffusion cells. The amount of permeated drug was analyzed using either HPLC or CE technique. The subjects of interest in the present study were the investigation of the influence of physicochemical properties of model drugs on their diffusion and permeation through SC lipid model membranes, as well as the study of the impact of the constituents of these artificial systems (particularly ceramide species) on their barrier properties. The diffusion through both SC lipid model membranes and the human SC of the most hydrophilic model drug, urea, was faster than the permeation of the more lipophilic drugs. The slowest rate of permeation through SC lipid systems occurred in the case of caffeine. The composition of SC lipid model membranes has a significant impact on their barrier function. Model drugs diffused and permeated faster through Membrane II (presence of Cer [EOS]). In terms of the barrier properties, Membrane II is much more similar to the human SC than Membrane I. Copyright © 2012 Elsevier B.V. All rights reserved.

A Model Structure for the Heterodimer apoA-IMilano–apoA-II Supports Its Peculiar Susceptibility to Proteolysis

PubMed Central

Rocco, Alessandro Guerini; Mollica, Luca; Gianazza, Elisabetta; Calabresi, Laura; Franceschini, Guido; Sirtori, Cesare R.; Eberini, Ivano

2006-01-01

In this study, we propose a structure for the heterodimer between apolipoprotein A-IMilano and apolipoprotein A-II (apoA-IM–apoA-II) in a synthetic high-density lipoprotein (HDL) containing L-α-palmitoyloleoyl phosphatidylcholine. We applied bioinformatics/computational tools and procedures, such as molecular docking, molecular and essential dynamics, starting from published crystal structures for apolipoprotein A-I and apolipoprotein A-II. Structural and energetic analyses onto the simulated system showed that the molecular dynamics produced a stabilized synthetic HDL. The essential dynamic analysis showed a deviation from the starting belt structure. Our structural results were validated by limited proteolysis experiments on HDL from apoA-IM carriers in comparison with control HDL. The high sensitivity of apoA-IM–apoA-II to proteases was in agreement with the high root mean-square fluctuation values and the reduction in secondary structure content from molecular dynamics data. Circular dichroism on synthetic HDL containing apoA-IM–apoA-II was consistent with the α-helix content computed on the proposed model. PMID:16891368

Evaluation of the aerosol vertical distribution in global aerosol models through comparison against CALIOP measurements: AeroCom phase II results: AEROSOL PROFILES IN AEROCOM II GCM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koffi, Brigitte; Schulz, Michael; Bréon, François-Marie

2016-06-27

The ability of eleven models in simulating the aerosol vertical distribution from regional to global scales, as part of the second phase of the AeroCom model inter-comparison initiative (AeroCom II) is assessed and compared to results of the first phase. The evaluation is performed using a global monthly gridded dataset of aerosol extinction profiles built on purpose from the CALIOP (Cloud-Aerosol Lidar with Orthogonal Polarization) Layer Product 3.01. Results over 12 sub-continental regions show that five models improved whereas three degraded in reproducing the Zα 0-6 km mean extinction height diagnostic, which is computed over the 0-6 km altitude rangemore » for each studied region and season. While the models’ performance remains highly variable, it has generally improved in terms of inter-regional diversity and seasonality. The biases in Zα 0-6 km have notably decreased in the U.S. and European industrial and downwind maritime regions, whereas the timing of the Zα 0-6 km peak season has improved for all but two models. However, most of the models now show a Zα 0-6 km underestimation over land, notably in the dust and biomass burning regions in Asia and Africa. At global scale, the AeroCom II models better reproduce the Zα 0-6 km latitudinal variability over ocean than over land. Hypotheses for the (changes in the) the performance of the individual models and for the inter-model diversity are discussed. We also provide an analysis of the CALIOP limitations and uncertainties that can contribute to the differences between the simulations and observations.« less

Coordination of two high-affinity hexamer peptides to copper(II) and palladium(II) models of the peptide-metal chelation site on IMAC resins.

PubMed

Chen, Y; Pasquinelli, R; Ataai, M; Koepsel, R R; Kortes, R A; Shepherd, R E

2000-03-20

The coordination of peptides Ser-Pro-His-His-Gly-Gly (SPHHGG) and (His)6 (HHHHHH) to [PdII(mida)(D2O)] (mida2- = N-methyliminodiacetate) was studied by 1H NMR as model reactions for CuII(iminodiacetate)-immobilized metal affinity chromatography (IMAC) sites. This is the first direct physical description of peptide coordination for IMAC. A three-site coordination is observed which involves the first, third, and fourth residues along the peptide chain. The presence of proline in position 2 of SPHHGG achieves the best molecular mechanics and bonding angles in the coordinated peptide and enhances the interaction of the serine amino nitrogen. Histidine coordination of H1, H3, and H4 of (His)6 and H3 and H4 of SPHHGG was detected by 1H NMR contact shifts and H/D exchange of histidyl protons. The EPR spectra of SPHHGG and HHHHHH attached to the [CuII(mida)] unit were obtained for additional modeling of IMAC sites. EPR parameters of the parent [Cu(mida)(H2O)2] complex are representative: gzz = 2.31; gyy = 2.086; gxx = 2.053; A parallel = 161G; AN = 19G (three line, one N coupling). Increased rhombic distortion is detected relative to the starting aqua complex in the order of [Cu(mida)L] for distortion of HHHHHH > SPHHGG > (H2O)2. The lowering of symmetry is also seen in the decrease in the N-shf coupling, presumably to the imino nitrogen of mida2- in the order 19 G (H2O), 16 G (SPHHGG) and 11 G (HHHHHH). Visible spectra of the [Cu(mida)(SPHHGG)] and [Cu(mida)(HHHHHH)] as a function of pH indicate coordination of one histidyl donor at ca. 4.5, two in the range of pH 5-7, and two chelate ring attachments involving the terminal amino donor for SPHHGG or another histidyl donor of HHHHHH in the pH domain of 7-8 in agreement with the [PdII(mida)L] derivatives which form the two-chelate-ring attachment even at lower pH as shown by the 1H NMR methods.

Partial Validation of Multibody Program to Optimize Simulated Trajectories II (POST II) Parachute Simulation With Interacting Forces

NASA Technical Reports Server (NTRS)

Raiszadeh, Ben; Queen, Eric M.

2002-01-01

A capability to simulate trajectories Of Multiple interacting rigid bodies has been developed. This capability uses the Program to Optimize Simulated Trajectories II (POST II). Previously, POST II had the ability to simulate multiple bodies without interacting forces. The current implementation is used for the Simulation of parachute trajectories, in which the parachute and suspended bodies can be treated as rigid bodies. An arbitrary set of connecting lines can be included in the model and are treated as massless spring-dampers. This paper discusses details of the connection line modeling and results of several test cases used to validate the capability.

Ternary copper(II) complex: NCI60 screening, toxicity studies, and evaluation of efficacy in xenograft models of nasopharyngeal carcinoma.

PubMed

Ahmad, Munirah; Suhaimi, Shazlan-Noor; Chu, Tai-Lin; Abdul Aziz, Norazlin; Mohd Kornain, Noor-Kaslina; Samiulla, D S; Lo, Kwok-Wai; Ng, Chew-Hee; Khoo, Alan Soo-Beng

2018-01-01

Copper(II) ternary complex, [Cu(phen)(C-dmg)(H2O)]NO3 was evaluated against a panel of cell lines, tested for in vivo efficacy in nasopharyngeal carcinoma xenograft models as well as for toxicity in NOD scid gamma mice. The Cu(II) complex displayed broad spectrum cytotoxicity against multiple cancer types, including lung, colon, central nervous system, melanoma, ovarian, and prostate cancer cell lines in the NCI-60 panel. The Cu(II) complex did not cause significant induction of cytochrome P450 (CYP) 3A and 1A enzymes but moderately inhibited CYP isoforms 1A2, 2C9, 2C19, 2D6, 2B6, 2C8 and 3A4. The complex significantly inhibited tumor growth in nasopharyngeal carcinoma xenograft bearing mice models at doses which were well tolerated without causing significant or permanent toxic side effects. However, higher doses which resulted in better inhibition of tumor growth also resulted in toxicity.

Assessment of perioperative mortality risk in patients with infective endocarditis undergoing cardiac surgery: performance of the EuroSCORE I and II logistic models.

PubMed

Madeira, Sérgio; Rodrigues, Ricardo; Tralhão, António; Santos, Miguel; Almeida, Carla; Marques, Marta; Ferreira, Jorge; Raposo, Luís; Neves, José; Mendes, Miguel

2016-02-01

The European System for Cardiac Operative Risk Evaluation (EuroSCORE) has been established as a tool for assisting decision-making in surgical patients and as a benchmark for quality assessment. Infective endocarditis often requires surgical treatment and is associated with high mortality. This study was undertaken to (i) validate both versions of the EuroSCORE, the older logistic EuroSCORE I and the recently developed EuroSCORE II and to compare their performances; (ii) identify predictors other than those included in the EuroSCORE models that might further improve their performance. We retrospectively studied 128 patients from a single-centre registry who underwent heart surgery for active infective endocarditis between January 2007 and November 2014. Binary logistic regression was used to find independent predictors of mortality and to create a new prediction model. Discrimination and calibration of models were assessed by receiver-operating characteristic curve analysis, calibration curves and the Hosmer-Lemeshow test. The observed perioperative mortality was 16.4% (n = 21). The median EuroSCORE I and EuroSCORE II were 13.9% interquartile range (IQ) (7.0-35.0) and 6.6% IQ (3.5-18.2), respectively. Discriminative power was numerically higher for EuroSCORE II {area under the curve (AUC) of 0.83 [95% confidence interval (CI), 0.75-0.91]} than for EuroSCORE I [0.75 (95% CI, 0.66-0.85), P = 0.09]. The Hosmer-Lemeshow test showed good calibration for EuroSCORE II (P = 0.08) but not for EuroSCORE I (P = 0.04). EuroSCORE I tended to over-predict and EuroSCORE II to under-predict mortality. Among the variables known to be associated with greater infective endocarditis severity, only prosthetic valve infective endocarditis remained an independent predictor of mortality [odds ratio (OR) 6.6; 95% CI, 1.1-39.5; P = 0.04]. The new model including the EuroSCORE II variables and variables known to be associated with greater infective endocarditis severity showed an AUC of 0

INFLUENCE OF TYPE II DIABETES, OBESITY, AND EXPOSURE TO 2, 3, 7, 8-TETRACHLORODIBENZO-P-DIOXIN (TCDD) EXPOSURE ON THE EXPRESSION OF HEPATIC CYP1A2 IN A MURIN MODEL OF TYPE II DIABETES

EPA Science Inventory

Influence of type II diabetes, obesity and exposure 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) exposure on the expression of hepatic CYPIA2 in a murine model of type II diabetes. SJ Godin', VM Richardson2, JJ Diliberto2, LS Birnbaum', MJ DeVito2; 'Curriculum In Toxicology, UNC-CH...

Potential for Jobs and Economic Development from Offshore Wind in California

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tegen, Suzanne

In California's future scenarios, energy demand increases with population growth and productivity. Decision-makers will have to make choices about which energy resources to utilize, and offshore wind offers one option for carbon-free electricity with the potential for increased local jobs. This presentation discusses results from an NREL report, Floating Offshore Wind in California: Gross Potential for Jobs and Economic Impacts from Two Future Scenarios. Presenter Suzanne Tegen describes the Jobs and Economic Development Impact (JEDI) model and its results for two offshore wind scenarios in California. She discusses different assumptions and how they affect the scenarios.

Molecular modeling of class I and II alleles of the major histocompatibility complex in Salmo salar.

PubMed

Cárdenas, Constanza; Bidon-Chanal, Axel; Conejeros, Pablo; Arenas, Gloria; Marshall, Sergio; Luque, F Javier

2010-12-01

Knowledge of the 3D structure of the binding groove of major histocompatibility (MHC) molecules, which play a central role in the immune response, is crucial to shed light into the details of peptide recognition and polymorphism. This work reports molecular modeling studies aimed at providing 3D models for two class I and two class II MHC alleles from Salmo salar (Sasa), as the lack of experimental structures of fish MHC molecules represents a serious limitation to understand the specific preferences for peptide binding. The reliability of the structural models built up using bioinformatic tools was explored by means of molecular dynamics simulations of their complexes with representative peptides, and the energetics of the MHC-peptide interaction was determined by combining molecular mechanics interaction energies and implicit continuum solvation calculations. The structural models revealed the occurrence of notable differences in the nature of residues at specific positions in the binding groove not only between human and Sasa MHC proteins, but also between different Sasa alleles. Those differences lead to distinct trends in the structural features that mediate the binding of peptides to both class I and II MHC molecules, which are qualitatively reflected in the relative binding affinities. Overall, the structural models presented here are a valuable starting point to explore the interactions between MHC receptors and pathogen-specific interactions and to design vaccines against viral pathogens.

Transient PVT measurements and model predictions for vessel heat transfer. Part II.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Felver, Todd G.; Paradiso, Nicholas Joseph; Winters, William S., Jr.

2010-07-01

Part I of this report focused on the acquisition and presentation of transient PVT data sets that can be used to validate gas transfer models. Here in Part II we focus primarily on describing models and validating these models using the data sets. Our models are intended to describe the high speed transport of compressible gases in arbitrary arrangements of vessels, tubing, valving and flow branches. Our models fall into three categories: (1) network flow models in which flow paths are modeled as one-dimensional flow and vessels are modeled as single control volumes, (2) CFD (Computational Fluid Dynamics) models inmore » which flow in and between vessels is modeled in three dimensions and (3) coupled network/CFD models in which vessels are modeled using CFD and flows between vessels are modeled using a network flow code. In our work we utilized NETFLOW as our network flow code and FUEGO for our CFD code. Since network flow models lack three-dimensional resolution, correlations for heat transfer and tube frictional pressure drop are required to resolve important physics not being captured by the model. Here we describe how vessel heat transfer correlations were improved using the data and present direct model-data comparisons for all tests documented in Part I. Our results show that our network flow models have been substantially improved. The CFD modeling presented here describes the complex nature of vessel heat transfer and for the first time demonstrates that flow and heat transfer in vessels can be modeled directly without the need for correlations.« less

Large-Scale Variation in Forest Carbon Turnover Rate and its Relation to Climate - Remote Sensing vs. Global Vegetation Models

NASA Astrophysics Data System (ADS)

Carvalhais, N.; Thurner, M.; Beer, C.; Forkel, M.; Rademacher, T. T.; Santoro, M.; Tum, M.; Schmullius, C.

2015-12-01

While vegetation productivity is known to be strongly correlated to climate, there is a need for an improved understanding of the underlying processes of vegetation carbon turnover and their importance at a global scale. This shortcoming has been due to the lack of spatially extensive information on vegetation carbon stocks, which we recently have been able to overcome by a biomass dataset covering northern boreal and temperate forests originating from radar remote sensing. Based on state-of-the-art products on biomass and NPP, we are for the first time able to study the relation between carbon turnover rate and a set of climate indices in northern boreal and temperate forests. The implementation of climate-related mortality processes, for instance drought, fire, frost or insect effects, is often lacking or insufficient in current global vegetation models. In contrast to our observation-based findings, investigated models from the Inter-Sectoral Impact Model Intercomparison Project (ISI-MIP), including HYBRID4, JeDi, JULES, LPJml, ORCHIDEE, SDGVM, and VISIT, are able to reproduce spatial climate - turnover rate relationships only to a limited extent. While most of the models compare relatively well to observation-based NPP, simulated vegetation carbon stocks are severely biased compared to our biomass dataset. Current limitations lead to considerable uncertainties in the estimated vegetation carbon turnover, contributing substantially to the forest feedback to climate change. Our results are the basis for improving mortality concepts in global vegetation models and estimating their impact on the land carbon balance.

Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II)

NASA Astrophysics Data System (ADS)

David, Laurent; Amara, Patricia; Field, Martin J.; Major, François

2002-08-01

Although techniques for the simulation of biomolecules, such as proteins and RNAs, have greatly advanced in the last decade, modeling complexes of biomolecules with metal ions remains problematic. Precise calculations can be done with quantum mechanical methods but these are prohibitive for systems the size of macromolecules. More qualitative modeling can be done with molecular mechanical potentials but the parametrization of force fields for metals is often difficult, particularly if the bonding between the metal and the groups in its coordination shell has significant covalent character. In this paper we present a method for deriving bond and bond-angle parameters for metal complexes from experimental bond and bond-angle distributions obtained from the Cambridge Structural Database. In conjunction with this method, we also introduce a non-standard energy term of gaussian form that allows us to obtain a stable description of the coordination about a metal center during a simulation. The method was evaluated on Fe(II)-porphyrin complexes, on simple Cu(II) ion complexes and a number of complexes of the Pb(II) ion.

Modeling of "Stripe" Wave Phenomena Seen by the CHARM II and ACES Sounding Rockets

NASA Astrophysics Data System (ADS)

Dombrowski, M. P.; Labelle, J. W.

2010-12-01

Two recent sounding-rocket missions—CHARM II and ACES—have been launched from Poker Flat Research Range, carrying the Dartmouth High-Frequency Experiment (HFE) among their primary instruments. The HFE is a receiver system which effectively yields continuous (100% duty cycle) E-field waveform measurements up to 5 MHz. The CHARM II sounding rocket was launched 9:49 UT on 15 February 2010 into a substorm, while the ACES mission consisted of two rockets, launched into quiet aurora at 9:49 and 9:50 UT on 29 January 2009. At approximately 350 km on CHARM II and the ACES High-Flyer, the HFE detected short (~2s) bursts of broadband (200-500 kHz) noise with a 'stripe' pattern of nulls imposed on it. These nulls have 10 to 20 kHz width and spacing, and many show a regular, non-linear frequency-time relation. These events are different from the 'stripes' discussed by Samara and LaBelle [2006] and Colpitts et al. [2010], because of the density of the stripes, the non-linearity, and the appearance of being an absorptive rather than emissive phenomenon. These events are similar to 'stripe' features reported by Brittain et al. [1983] in the VLF range, explained as an interference pattern between a downward-traveling whistler-mode wave and its reflection off the bottom of the ionosphere. Following their analysis method, we modeled our stripes as higher-frequency interfering whistlers reflecting off of a density gradient. This model predicts the near-hyperbolic frequency-time curves and high density of the nulls, and therefore shows promise at explaining the new observations.

BASS-II Hardware Repair

NASA Image and Video Library

2014-03-27

ISS039-E-005726 (27 March 2014) --- Expedition 39 Flight Engineer Rick Mastracchio performs inflight maintenance on an experiment called Burning and Suppression of Solids (BASS)-II. The investigation examines the burning and extinction characteristics of a wide variety of fuel samples in microgravity. The BASS-II experiment will guide strategies for materials flammability screening for use in spacecraft as well as provide valuable data on solid fuel burning behavior in microgravity. BASS-II results contribute to the combustion computational models used in the design of fire detection and suppression systems in microgravity and on Earth.

Synthesis, spectroscopic characterization, DNA interaction and biological activities of Mn(II), Co(II), Ni(II) and Cu(II) complexes with [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol

NASA Astrophysics Data System (ADS)

Gaber, Mohamed; El-Wakiel, Nadia A.; El-Ghamry, Hoda; Fathalla, Shaimaa K.

2014-11-01

Manganese(II), cobalt(II), nickel(II) and copper(II) complexes of [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol have been synthesized. The structure of complexes have been characterized by elemental analysis, molar conductance, magnetic moment measurements and spectral (IR, 1H NMR, EI-mass, UV-Vis and ESR), and thermal studies. The results showed that the chloro and nitrato Cu(II) complexes have octahedral geometry while Ni(II), Co(II) and Mn(II) complexes in addition to acetato Cu(II) complex have tetrahedral geometry. The possible structures of the metal complexes have been computed using the molecular mechanic calculations using the hyper chem. 8.03 molecular modeling program to confirm the proposed structures. The kinetic and thermodynamic parameters of the thermal decomposition steps were calculated from the TG curves. The binding modes of the complexes with DNA have been investigated by UV-Vis absorption titration. The results showed that the mode of binding of the complexes to DNA is intercalative or non-intercalative binding modes. Schiff base and its metal complexes have been screened for their in vitro antimicrobial activities against Gram positive bacteria (Staphylococcus aureus), Gram negative bacteria (Escherichia coli and Pesudomonas aeruginosa), fungi (Asperigllus flavus and Mucer) and yeast (Candida albicans and Malassezia furfur).

Simulations of the Mg II K and Ca II 8542 Lines From an Alfvén Wave-Heated Flare Chromosphere

NASA Technical Reports Server (NTRS)

Kerr, Graham S.; Fletcher, Lyndsay; Russell, Alexander J. B.; Allred, Joel C.

2016-01-01

We use radiation hydrodynamic simulations to examine two models of solar flare chromospheric heating: Alfven wave dissipation and electron beam collisional losses. Both mechanisms are capable of strong chromospheric heating, and we show that the distinctive atmospheric evolution in the mid-to-upper chromosphere results in Mg II k-line emission that should be observably different between wave-heated and beam-heated simulations. We also present Ca II 8542 A profiles that are formed slightly deeper in the chromosphere. The Mg II k-line profiles from our wave-heated simulation are quite different from those from a beam-heated model and are more consistent with Interface Region Imaging Spectrograph observations. The predicted differences between the Ca II 8542 A in the two models are small. We conclude that careful observational and theoretical study of lines formed in the mid-to-upper chromosphere holds genuine promise for distinguishing between competing models for chromospheric heating inflares.

II Zw 40 - 30 Doradus on Steroids

NASA Astrophysics Data System (ADS)

Leitherer, Claus; Lee, Janice C.; Levesque, Emily M.

2017-11-01

We obtained HST COS G140L spectra of the enigmatic nearby blue compact dwarf galaxy II Zw 40. The galaxy hosts a nuclear super star cluster embedded in a radio-bright nebula, similar to those observed in the related blue compact dwarfs NGC 5253 and Henize 2-10. The ultraviolet spectrum of II Zw 40 is exceptional in terms of the strength of He II 1640, O III] 1666 and C III] 1909. We determined reddening, age, and the cluster mass from the ultraviolet data. The super nebula and the ionizing cluster exceed the ionizing luminosity and stellar mass of the local benchmark 30 Doradus by an order of magnitude. Comparison with stellar evolution models accounting for rotation reveals serious short-comings: these models do not account for the presence of Wolf-Rayet-like stars at young ages observed in II Zw 40. Photoionization modeling is used to probe the origin of the nebular lines and determine gas phase abundances. C/O is solar, in agreement with the result of the stellar-wind modeling.

Evidence from mathematical modeling that carbonic anhydrase II and IV enhance CO2 fluxes across Xenopus oocyte plasma membranes

PubMed Central

Musa-Aziz, Raif; Boron, Walter F.

2014-01-01

Exposing an oocyte to CO2/HCO3− causes intracellular pH (pHi) to decline and extracellular-surface pH (pHS) to rise to a peak and decay. The two companion papers showed that oocytes injected with cytosolic carbonic anhydrase II (CA II) or expressing surface CA IV exhibit increased maximal rate of pHi change (dpHi/dt)max, increased maximal pHS changes (ΔpHS), and decreased time constants for pHi decline and pHS decay. Here we investigate these results using refinements of an earlier mathematical model of CO2 influx into a spherical cell. Refinements include 1) reduced cytosolic water content, 2) reduced cytosolic diffusion constants, 3) refined CA II activity, 4) layer of intracellular vesicles, 5) reduced membrane CO2 permeability, 6) microvilli, 7) refined CA IV activity, 8) a vitelline membrane, and 9) a new simulation protocol for delivering and removing the bulk extracellular CO2/HCO3− solution. We show how these features affect the simulated pHi and pHS transients and use the refined model with the experimental data for 1.5% CO2/10 mM HCO3− (pHo = 7.5) to find parameter values that approximate ΔpHS, the time to peak pHS, the time delay to the start of the pHi change, (dpHi/dt)max, and the change in steady-state pHi. We validate the revised model against data collected as we vary levels of CO2/HCO3− or of extracellular HEPES buffer. The model confirms the hypothesis that CA II and CA IV enhance transmembrane CO2 fluxes by maximizing CO2 gradients across the plasma membrane, and it predicts that the pH effects of simultaneously implementing intracellular and extracellular-surface CA are supra-additive. PMID:24965589

Dislocation mechanism based model for stage II fatigue crack propagation rate

NASA Technical Reports Server (NTRS)

Mazumdar, P. K.

1986-01-01

Repeated plastic deformation, which of course depends on dislocation mechanism, at or near the crack tip leads to the fatigue crack propagation. By involving the theory of thermally activated flow and the cumulative plastic strain criterion, an effort is made here to model the stage II fatigue crack propagation rate in terms of the dislocation mechanism. The model, therefore, provides capability to ascertain: (1) the dislocation mechanism (and hence the near crack tip microstructures) assisting the crack growth, (2) the relative resistance of dislocation mechanisms to the crack growth, and (3) the fracture surface characteristics and its interpretation in terms of the dislocation mechanism. The local microstructure predicted for the room temperature crack growth in copper by this model is in good agreement with the experimental results taken from the literature. With regard to the relative stability of such dislocation mechanisms as the cross-slip and the dislocation intersection, the model suggests an enhancement of crack growth rate with an ease of cross-slip which in general promotes dislocation cell formation and is common in material which has high stacking fault energy (produces wavy slips). Cross-slip apparently enhances crack growth rate by promoting slip irreversibility and fracture surface brittleness to a greater degree.

Detrimental Effects of Centrally Administered Angiotensin II are Enhanced in a Mouse Model of Alzheimer Disease Independently of Blood Pressure.

PubMed

Takane, Koki; Hasegawa, Yu; Lin, Bowen; Koibuchi, Nobutaka; Cao, Cheng; Yokoo, Takashi; Kim-Mitsuyama, Shokei

2017-04-20

The significance of brain angiotensin II in Alzheimer disease (AD) is unclear. To examine the role of brain angiotensin II in AD, intracerebroventricular angiotensin II infusion was performed on 5XFAD mice, a mouse model of AD, and wild-type mice, and the detrimental effects of brain angiotensin II was compared between the 2 strains of mice. Intracerebroventricular angiotensin II infusion significantly impaired cognitive function in 5XFAD mice but not in wild-type mice. This vulnerability of 5XFAD mice to brain angiotensin II was associated with enhancement of hippocampal inflammation and oxidative stress and with increased cerebrovascular amyloid β deposition. We also compared the effect of brain angiotensin II on the heart and skeletal muscle between the 2 strains because AD is associated with heart failure and sarcopenia. We found that cardiac compensatory response of 5XFAD mice to brain angiotensin II-induced hypertension was less than that of wild-type mice. Brain angiotensin II caused skeletal muscle atrophy and injury in 5XFAD mice more than in wild-type mice. Brain angiotensin II seems to be involved in cognitive impairment and brain injury in AD, which is associated with oxidative stress, inflammation, and cerebral amyloid angiopathy. Further, brain angiotensin II may participate in cardiac disease and sarcopenia observed in AD. © 2017 The Authors. Published on behalf of the American Heart Association, Inc., by Wiley.

Glutamate Ligation in the Ni(II)- and Co(II)-Responsive Escherichia coli Transcriptional Regulator, RcnR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carr, Carolyn E.; Musiani, Francesco; Huang, Hsin-Ting

Escherichia coli RcnR (resistance to cobalt and nickel regulator, EcRcnR) is a metal-responsive repressor of the genes encoding the Ni(II) and Co(II) exporter proteins RcnAB by binding to PRcnAB. The DNA binding affinity is weakened when the cognate ions Ni(II) and Co(II) bind to EcRcnR in a six-coordinate site that features a (N/O)5S ligand donor-atom set in distinct sites: while both metal ions are bound by the N terminus, Cys35, and His64, Co(II) is additionally bound by His3. On the other hand, the noncognate Zn(II) and Cu(I) ions feature a lower coordination number, have a solvent-accessible binding site, and coordinatemore » protein ligands that do not include the N-terminal amine. A molecular model of apo-EcRcnR suggested potential roles for Glu34 and Glu63 in binding Ni(II) and Co(II) to EcRcnR. The roles of Glu34 and Glu63 in metal binding, metal selectivity, and function were therefore investigated using a structure/function approach. X-ray absorption spectroscopy was used to assess the structural changes in the Ni(II), Co(II), and Zn(II) binding sites of Glu → Ala and Glu → Cys variants at both positions. The effect of these structural alterations on the regulation of PrcnA by EcRcnR in response to metal binding was explored using LacZ reporter assays. These combined studies indicate that while Glu63 is a ligand for both metal ions, Glu34 is a ligand for Co(II) but possibly not for Ni(II). The Glu34 variants affect the structure of the cognate metal sites, but they have no effect on the transcriptional response. In contrast, the Glu63 variants affect both the structure and transcriptional response, although they do not completely abolish the function of EcRcnR. The structure of the Zn(II) site is not significantly perturbed by any of the glutamic acid variations. The spectroscopic and functional data obtained on the mutants were used to calculate models of the metal-site structures of EcRcnR bound to Ni(II), Co(II), and Zn(II). The results are

Free metal ion depletion by "Good's" buffers. III. N-(2-acetamido)iminodiacetic acid, 2:1 complexes with zinc(II), cobalt(II), nickel(II), and copper(II); amide deprotonation by Zn(II), Co(II), and Cu(II).

PubMed

Lance, E A; Rhodes, C W; Nakon, R

1983-09-01

Potentiometric, visible, infrared, electron spin, and nuclear magnetic resonance studies of the complexation of N-(2-acetamido)iminodiacetic acid (H2ADA) by Ca(II), Mg(II), Mn(II), Zn(II), Co(II), Ni(II), and Cu(II) are reported. Ca(II) and Mg(II) were found not to form 2:1 ADA2- to M(II) complexes, while Mn(II), Cu(II), Ni(II), Zn(II), and Co(II) did form 2:1 metal chelates at or below physiological pH values. Co(II) and Zn(II), but not Cu(II), were found to induce stepwise deprotonation of the amide groups to form [M(H-1ADA)4-(2)]. Formation (affinity) constants for the various metal complexes are reported, and the probable structures of the various metal chelates in solution are discussed on the basis of various spectral data.

Dinuclear complexes containing linear M-F-M [M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)] bridges: trends in structures, antiferromagnetic superexchange interactions, and spectroscopic properties.

PubMed

Reger, Daniel L; Pascui, Andrea E; Smith, Mark D; Jezierska, Julia; Ozarowski, Andrew

2012-11-05

The reaction of M(BF(4))(2)·xH(2)O, where M is Fe(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II), with the new ditopic ligand m-bis[bis(3,5-dimethyl-1-pyrazolyl)methyl]benzene (L(m)*) leads to the formation of monofluoride-bridged dinuclear metallacycles of the formula [M(2)(μ-F)(μ-L(m)*)(2)](BF(4))(3). The analogous manganese(II) species, [Mn(2)(μ-F)(μ-L(m)*)(2)](ClO(4))(3), was isolated starting with Mn(ClO(4))(2)·6H(2)O using NaBF(4) as the source of the bridging fluoride. In all of these complexes, the geometry around the metal centers is trigonal bipyramidal, and the fluoride bridges are linear. The (1)H, (13)C, and (19)F NMR spectra of the zinc(II) and cadmium(II) compounds and the (113)Cd NMR of the cadmium(II) compound indicate that the metallacycles retain their structure in acetonitrile and acetone solution. The compounds with M = Mn(II), Fe(II), Co(II), Ni(II), and Cu(II) are antiferromagnetically coupled, although the magnitude of the coupling increases dramatically with the metal as one moves to the right across the periodic table: Mn(II) (-6.7 cm(-1)) < Fe(II) (-16.3 cm(-1)) < Co(II) (-24.1 cm(-1)) < Ni(II) (-39.0 cm(-1)) ≪ Cu(II) (-322 cm(-1)). High-field EPR spectra of the copper(II) complexes were interpreted using the coupled-spin Hamiltonian with g(x) = 2.150, g(y) = 2.329, g(z) = 2.010, D = 0.173 cm(-1), and E = 0.089 cm(-1). Interpretation of the EPR spectra of the iron(II) and manganese(II) complexes required the spin Hamiltonian using the noncoupled spin operators of two metal ions. The values g(x) = 2.26, g(y) = 2.29, g(z) = 1.99, J = -16.0 cm(-1), D(1) = -9.89 cm(-1), and D(12) = -0.065 cm(-1) were obtained for the iron(II) complex and g(x) = g(y) = g(z) = 2.00, D(1) = -0.3254 cm(-1), E(1) = -0.0153, J = -6.7 cm(-1), and D(12) = 0.0302 cm(-1) were found for the manganese(II) complex. Density functional theory (DFT) calculations of the exchange integrals and the zero-field splitting on manganese(II) and iron(II) ions were performed

Psychometric properties of the NEPSY-II affect recognition subtest in a preschool sample: a Rasch modeling approach.

PubMed

Yao, Shih-Ying; Bull, Rebecca; Khng, Kiat Hui; Rahim, Anisa

2018-01-01

Understanding a child's ability to decode emotion expressions is important to allow early interventions for potential difficulties in social and emotional functioning. This study applied the Rasch model to investigate the psychometric properties of the NEPSY-II Affect Recognition subtest, a U.S. normed measure for 3-16 year olds which assesses the ability to recognize facial expressions of emotion. Data were collected from 1222 children attending preschools in Singapore. We first performed the Rasch analysis with the raw item data, and examined the technical qualities and difficulty pattern of the studied items. We subsequently investigated the relation of the estimated affect recognition ability from the Rasch analysis to a teacher-reported measure of a child's behaviors, emotions, and relationships. Potential gender differences were also examined. The Rasch model fits our data well. Also, the NEPSY-II Affect Recognition subtest was found to have reasonable technical qualities, expected item difficulty pattern, and desired association with the external measure of children's behaviors, emotions, and relationships for both boys and girls. Overall, findings from this study suggest that the NEPSY-II Affect Recognition subtest is a promising measure of young children's affect recognition ability. Suggestions for future test improvement and research were discussed.

AN ANALYTIC MODEL OF DUSTY, STRATIFIED, SPHERICAL H ii REGIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodríguez-Ramírez, J. C.; Raga, A. C.; Lora, V.

2016-12-20

We study analytically the effect of radiation pressure (associated with photoionization processes and with dust absorption) on spherical, hydrostatic H ii regions. We consider two basic equations, one for the hydrostatic balance between the radiation-pressure components and the gas pressure, and another for the balance among the recombination rate, the dust absorption, and the ionizing photon rate. Based on appropriate mathematical approximations, we find a simple analytic solution for the density stratification of the nebula, which is defined by specifying the radius of the external boundary, the cross section of dust absorption, and the luminosity of the central star. Wemore » compare the analytic solution with numerical integrations of the model equations of Draine, and find a wide range of the physical parameters for which the analytic solution is accurate.« less

Series of structural and functional models for the ES (enzyme-substrate) complex of the Co(II)-containing quercetin 2,3-dioxygenase.

PubMed

Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun

2014-03-17

A series of mononuclear Co(II)-flavonolate complexes [Co(II)L(R)(fla)] (L(R)H = 2-{[bis(pyridin-2-ylmethyl)amino]methyl}-p/m-R-benzoic acid; R = p-OMe (1), p-Me (2), m-Br (4), and m-NO2 (5); fla = flavonolate) were designed and synthesized as structural and functional models for the ES (enzyme-substrate) complexes to mimic the active site of the Co(II)-containing quercetin 2,3-dioxygenase (Co-2,3-QD). The metal center Co(II) ion in each complex shows a similar distorted octahedral geometry. The model complexes display high enzyme-type dioxygenation reactivity (oxidative O-heterocyclic ring opening of the coordinated substrate flavonolate) at low temperature, presumably due to the attached carboxylate group in the ligands. The reactivity exhibits a substituent group dependent order of -OMe (1) > -Me (2) > -H (3)14b > -Br (4) > -NO2 (5), and the Hammett plot is linear (ρ = -0.78). This can be explained as the electronic nature of the substituent group in the ligands may influence the conformation and redox potential of the bound flavonolate and finally bring different reactivity. The structures, properties, and reactivity of the model complexes show some dependence on the substituent group in the supporting model ligands, and there is some relationship among them. This study is the first example of a series of structural and functional ES models of Co-2,3-QD, with focus on the effects of the electronic nature of substituted groups and the carboxylate group of the ligands to the dioxygenation reactivity, that will provide important insights into the structure-property-reactivity relationship and the catalytic role of Co-2,3-QD.

Binding Selectivity of Methanobactin from Methylosinus trichosporium OB3b for Copper(I), Silver(I), Zinc(II), Nickel(II), Cobalt(II), Manganese(II), Lead(II), and Iron(II).

PubMed

McCabe, Jacob W; Vangala, Rajpal; Angel, Laurence A

2017-12-01

Methanobactin (Mb) from Methylosinus trichosporium OB3b is a member of a class of metal binding peptides identified in methanotrophic bacteria. Mb will selectively bind and reduce Cu(II) to Cu(I), and is thought to mediate the acquisition of the copper cofactor for the enzyme methane monooxygenase. These copper chelating properties of Mb make it potentially useful as a chelating agent for treatment of diseases where copper plays a role including Wilson's disease, cancers, and neurodegenerative diseases. Utilizing traveling wave ion mobility-mass spectrometry (TWIMS), the competition for the Mb copper binding site from Ag(I), Pb(II), Co(II), Fe(II), Mn(II), Ni(II), and Zn(II) has been determined by a series of metal ion titrations, pH titrations, and metal ion displacement titrations. The TWIMS analyses allowed for the explicit identification and quantification of all the individual Mb species present during the titrations and measured their collision cross-sections and collision-induced dissociation patterns. The results showed Ag(I) and Ni(II) could irreversibly bind to Mb and not be effectively displaced by Cu(I), whereas Ag(I) could also partially displace Cu(I) from the Mb complex. At pH ≈ 6.5, the Mb binding selectivity follows the order Ag(I)≈Cu(I)>Ni(II)≈Zn(II)>Co(II)>Mn(II)≈Pb(II)>Fe(II), and at pH 7.5 to 10.4 the order is Ag(I)>Cu(I)>Ni(II)>Co(II)>Zn(II)>Mn(II)≈Pb(II)>Fe(II). Breakdown curves of the disulfide reduced Cu(I) and Ag(I) complexes showed a correlation existed between their relative stability and their compact folded structure indicated by their CCS. Fluorescence spectroscopy, which allowed the determination of the binding constant, compared well with the TWIMS analyses, with the exception of the Ni(II) complex. Graphical abstract ᅟ.

A two-dimensional model study of the QBO signal in SAGE II NO{sub 2} and O{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chipperfield, M.P.; Gray, L.J.; Kinnersley, J.S.

1994-04-01

The authors present a model study of the quasi biennial oscillation signal in observed nitrogen dioxide and ozone data collected between 1984 and 1991 by SAGE II. This 2D model is applied on a grid from pole to pole, from the ground to 80 km altitude. The QBO signal is forced into the model by making the equatorial winds in the model relax toward observations from Singapore.

Adsorption of Zn(II) and Cd(II) ions in batch system by using the Eichhornia crassipes.

PubMed

Módenes, A N; Espinoza-Quiñones, F R; Borba, C E; Trigueros, D E G; Lavarda, F L; Abugderah, M M; Kroumov, A D

2011-01-01

In this work, the displacement effects on the sorption capacities of zinc and cadmium ions of the Eichornia crassipes-type biosorbent in batch binary system has been studied. Preliminary single metal sorption experiments were carried out. An improvement on the Zn(II) and Cd(II) ions removal was achieved by working at 30 °C temperature and with non-uniform biosorbent grain sizes. A 60 min equilibrium time was achieved for both Zn(II) and Cd(II) ions. Furthermore, it was found that the overall kinetic data were best described by the pseudo second-order kinetic model. Classical multi-component adsorption isotherms have been tested as well as a modified extended Langmuir isotherm model, showing good agreement with the equilibrium binary data. Around 0.65 mequiv./g maximum metal uptake associated with the E. crassipes biosorbent was attained and the E. crassipes biosorbent has shown higher adsorption affinity for the zinc ions than for the cadmium ones in the binary system.

Impact of a commercial glyphosate formulation on adsorption of Cd(II) and Pb(II) ions on paddy soil.

PubMed

Divisekara, T; Navaratne, A N; Abeysekara, A S K

2018-05-01

Use of glyphosate as a weedicide on rice cultivation has been a controversial issue in Sri Lanka, due to the hypothesis that the metal complexes of commercial glyphosate is one of the causative factors of Chronic Kidney Disease of unknown aetiology (CKDu) prevalent in some parts of Sri Lanka. The effect of commercial glyphosate on the adsorption and desorption of Cd(II) and Pb(II) ions on selective paddy soil studied using batch experiments, over a wide concentration range, indicates that the Langmuir adsorption isotherm model is obeyed at low initial metal ion concentrations while the Freundlich adsorption isotherm model obeys at high metal ion concentrations in the presence and absence of glyphosate. For all cases, adsorption of both Cd(II) and Pb(II) ions obeys pseudo second order kinetics, suggesting that initial adsorption is a chemisorption process. In the presence of glyphosate formulation, the extent of adsorption of Cd(II) and Pb(II) ions on soil is decreased, while their desorption is increased at high concentrations of glyphosate. Low concentrations of glyphosate formulation do not significantly affect the desorption of metal ions from soil. Reduction of adsorption leads to enhance the concentration of Cd(II) and Pb(II) ions in the aqueous phase when in contact with soil. Copyright © 2018 Elsevier Ltd. All rights reserved.

Hierarchical competition models with the Allee effect II: the case of immigration.

PubMed

Assas, Laila; Dennis, Brian; Elaydi, Saber; Kwessi, Eddy; Livadiotis, George

2015-01-01

This is part II of an earlier paper that dealt with hierarchical models with the Allee effect but with no immigration. In this paper, we greatly simplify the proofs in part I and provide a proof of the global dynamics of the non-hyperbolic cases that were previously conjectured. Then, we show how immigration to one of the species or to both would, drastically, change the dynamics of the system. It is shown that if the level of immigration to one or to both species is above a specified level, then there will be no extinction region where both species go to extinction.

Nickel(II) biosorption from aqueous solutions by shrimp head biomass.

PubMed

Hernández-Estévez, Alejandro; Cristiani-Urbina, Eliseo

2014-11-01

The present study evaluates the capacity of shrimp (Farfantepenaeus aztecus) head to remove toxic Ni(II) ions from aqueous solutions. Relevant parameters that could affect the biosorption process, such as shrimp head pretreatment, solution pH level, contact time and initial Ni(II) concentration, were studied in batch systems. An increase in Ni(II) biosorption capacity and a reduction in the time required to reach Ni(II) biosorption equilibrium was manifested by shrimp head biomass pretreated by boiling in 0.5 N NaOH for 15 min; this biomass was thereafter denominated APSH. The optimum biosorption level of Ni(II) ions onto APSH was observed at pH 7.0. Biosorption increased significantly with rising initial Ni(II) concentration. In terms of biosorption dynamics, the pseudo-second-order kinetic model described Ni(II) biosorption onto APSH best. The equilibrium data adequately fitted the Langmuir isotherm model within the studied Ni(II) ion concentration range. According to this isotherm model, the maximum Ni(II) biosorption capacity of APSH was 104.22 mg/g. Results indicate that APSH could be used as a low-cost, environmentally friendly, and promising biosorbent with high biosorption capacity to remove Ni(II) from aqueous solutions.

Binding Selectivity of Methanobactin from Methylosinus trichosporium OB3b for Copper(I), Silver(I), Zinc(II), Nickel(II), Cobalt(II), Manganese(II), Lead(II), and Iron(II)

NASA Astrophysics Data System (ADS)

McCabe, Jacob W.; Vangala, Rajpal; Angel, Laurence A.

2017-12-01

Methanobactin (Mb) from Methylosinus trichosporium OB3b is a member of a class of metal binding peptides identified in methanotrophic bacteria. Mb will selectively bind and reduce Cu(II) to Cu(I), and is thought to mediate the acquisition of the copper cofactor for the enzyme methane monooxygenase. These copper chelating properties of Mb make it potentially useful as a chelating agent for treatment of diseases where copper plays a role including Wilson's disease, cancers, and neurodegenerative diseases. Utilizing traveling wave ion mobility-mass spectrometry (TWIMS), the competition for the Mb copper binding site from Ag(I), Pb(II), Co(II), Fe(II), Mn(II), Ni(II), and Zn(II) has been determined by a series of metal ion titrations, pH titrations, and metal ion displacement titrations. The TWIMS analyses allowed for the explicit identification and quantification of all the individual Mb species present during the titrations and measured their collision cross-sections and collision-induced dissociation patterns. The results showed Ag(I) and Ni(II) could irreversibly bind to Mb and not be effectively displaced by Cu(I), whereas Ag(I) could also partially displace Cu(I) from the Mb complex. At pH ≈ 6.5, the Mb binding selectivity follows the order Ag(I)≈Cu(I)>Ni(II)≈Zn(II)>Co(II)>>Mn(II)≈Pb(II)>Fe(II), and at pH 7.5 to 10.4 the order is Ag(I)>Cu(I)>Ni(II)>Co(II)>Zn(II)>Mn(II)≈Pb(II)>Fe(II). Breakdown curves of the disulfide reduced Cu(I) and Ag(I) complexes showed a correlation existed between their relative stability and their compact folded structure indicated by their CCS. Fluorescence spectroscopy, which allowed the determination of the binding constant, compared well with the TWIMS analyses, with the exception of the Ni(II) complex. [Figure not available: see fulltext.

Nonequilibrium Stagnation-Line Radiative Heating for Fire II

NASA Technical Reports Server (NTRS)

Johnston, Christopher O.; Hollis, Brian R.; Sutton, Kenneth

2007-01-01

This paper presents a detailed analysis of the shock-layer radiative heating to the Fire II vehicle using a new air radiation model and a viscous shock-layer flowfield model. This new air radiation model contains the most up-to-date properties for modeling the atomic-line, atomic photoionization, molecular band, and non-Boltzmann processes. The applied viscous shock-layer flowfield analysis contains the same thermophysical properties and nonequilibrium models as the LAURA Navier-Stokes code. Radiation-flowfield coupling, or radiation cooling, is accounted for in detail in this study. It is shown to reduce the radiative heating by about 30% for the peak radiative heating points, while reducing the convective heating only slightly. A detailed review of past Fire II radiative heating studies is presented. It is observed that the scatter in the radiation predicted by these past studies is mostly a result of the different flowfield chemistry models and the treatment of the electronic state populations. The present predictions provide, on average throughout the trajectory, a better comparison with Fire II flight data than any previous study. The magnitude of the vacuum ultraviolet (VUV) contribution to the radiative flux is estimated from the calorimeter measurements. This is achieved using the radiometer measurements and the predicted convective heating. The VUV radiation predicted by the present model agrees well with the VUV contribution inferred from the Fire II calorimeter measurement, although only when radiation-flowfield coupling is accounted for. This agreement provides evidence that the present model accurately models the VUV radiation, which is shown to contribute significantly to the Fire II radiative heating.

Zn II(atsm) is protective in amyotrophic lateral sclerosis model mice via a copper delivery mechanism.

PubMed

McAllum, Erin J; Roberts, Blaine R; Hickey, James L; Dang, Theresa N; Grubman, Alexandra; Donnelly, Paul S; Liddell, Jeffrey R; White, Anthony R; Crouch, Peter J

2015-09-01

Mutations in the metalloprotein Cu,Zn-superoxide dismutase (SOD1) cause approximately 20% of familial cases of amyotrophic lateral sclerosis (ALS), a fatal neurodegenerative disease for which effective therapeutics do not yet exist. Transgenic rodent models based on over-expression of mutant SOD1 have been developed and these have provided opportunity to test new therapeutic strategies and to study the mechanisms of mutant SOD1 toxicity. Although the mechanisms of mutant SOD1 toxicity are yet to be fully elucidated, incorrect or incomplete metallation of SOD1 confers abnormal folding, aggregation and biochemical properties, and improving the metallation state of SOD1 provides a viable therapeutic option. The therapeutic effects of delivering copper (Cu) to mutant SOD1 have been demonstrated recently. The aim of the current study was to determine if delivery of zinc (Zn) to SOD1 was also therapeutic. To investigate this, SOD1G37R mice were treated with the metal complex diacetyl-bis(4-methylthiosemicarbazonato)zinc(II) [Zn(II)(atsm)]. Treatment resulted in an improvement in locomotor function and survival of the mice. However, biochemical analysis of spinal cord tissue collected from the mice revealed that the treatment did not increase overall Zn levels in the spinal cord nor the Zn content of SOD1. In contrast, overall levels of Cu in the spinal cord were elevated in the Zn(II)(atsm)-treated SOD1G37R mice and the Cu content of SOD1 was also elevated. Further experiments demonstrated transmetallation of Zn(II)(atsm) in the presence of Cu to form the Cu-analogue Cu(II)(atsm), indicating that the observed therapeutic effects for Zn(II)(atsm) in SOD1G37R mice may in fact be due to in vivo transmetallation and subsequent delivery of Cu. Copyright © 2015. Published by Elsevier Inc.

Aversive and non-aversive memory impairment in the mucopolysaccharidosis II mouse model.

PubMed

Azambuja, Amanda Stapenhorst; Correa, Lilian; Gabiatti, Bernardo Pappi; Martins, Giselle Renata; de Oliveira Franco, Álvaro; Ribeiro, Maria Flávia Marques; Baldo, Guilherme

2018-02-01

Hunter syndrome (MPS II, OMIM 309900) is a lysosomal storage disorder due to deficient iduronate sulphatase activity. Patients present multiple cognitive alterations, and the aim of this work was to verify if MPS II mice also present some progressive cognitive alterations. For that, MPS II mice from 2 to 6 months of age were submitted to repeated open field and inhibitory avoidance tests to evaluate memory parameters. MPS II mice presented impaired memory at 6 months evaluated by open field test. They also performed poorly in the inhibitory avoidance test from 4 months. We conclude that MPS II mice develop cognitive alterations as the disease progresses. These tests can be used in the future to study the efficacy of therapeutic approaches in the central nervous system.

Human Intelligence in Counterinsurgency: Persistent Pathologies in the Collector-Consumer Relationship

DTIC Science & Technology

2011-06-05

in fact, possess Jedi-like powers. Drawn to the “ sexiness ” of source operations and envisioning himself as a tactical James Bond, this collector...collectors that every hour spent on the streets conducting the “ sexy ” work of military source operations entails five hours spent in the office conducting

Advanced Technologies for the Study of Earth Systems.

ERIC Educational Resources Information Center

Sproull, Jim

1991-01-01

Describes the Joint Education Initiative (JEdI) project designed to instruct teachers how to access scientific data and images for classroom instruction. Presents a sample CD-ROM classroom computer activity that illustrates how CD images and databases can be combined for a science investigation comparing topography to gravity anomalies. (MCO)

Syntheses, structures, and properties of imidazolate-bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) dinuclear complexes of a single macrocyclic ligand with two hydroxyethyl pendants.

PubMed

Li, Dongfeng; Li, Shuan; Yang, Dexi; Yu, Jiuhong; Huang, Jin; Li, Yizhi; Tang, Wenxia

2003-09-22

The imidazolate-bridged homodinuclear Cu(II)-Cu(II) complex, [(CuimCu)L]ClO(4).0.5H(2)O (1), and heterodinuclear Cu(II)-Zn(II) complex, [(CuimZnL(-)(2H))(CuimZnL(-)(H))](ClO(4))(3) (2), of a single macrocyclic ligand with two hydroxyethyl pendants, L (L = 3,6,9,16,19,22-hexaaza-6,19-bis(2-hydroxyethyl)tricyclo[22,2,2,2(11,14)]triaconta-1,11,13,24,27,29-hexaene), have been synthesized as possible models for copper-zinc superoxide dismutase (Cu(2),Zn(2)-SOD). Their crystal structures analyzed by X-ray diffraction methods have shown that the structures of the two complexes are markedly different. Complex 1 crystallizes in the orthorhombic system, containing an imidazolate-bridged dicopper(II) [Cu-im-Cu](3+) core, in which the two copper(II) ions are pentacoordinated by virtue of an N4O environment with a Cu.Cu distance of 5.999(2) A, adopting the geometry of distorted trigonal bipyramid and tetragonal pyramid, respectively. Complex 2 crystallizes in the triclinic system, containing two similar Cu-im-Zn cores in the asymmetric unit, in which both the Cu(II) and Zn(II) ions are pentacoordinated in a distorted trigonal bipyramid geometry, with the Cu.Zn distance of 5.950(1)/5.939(1) A, respectively. Interestingly, the macrocyclic ligand with two arms possesses a chairlike (anti) conformation in complex 1, but a boatlike (syn) conformation in complex 2. Magnetic measurements and ESR spectroscopy of complex 1 have revealed the presence of an antiferromagnetic exchange interaction between the two Cu(II) ions. The ESR spectrum of the Cu(II)-Zn(II) heterodinuclear complex 2 displayed a typical signal for mononuclear trigonal bipyramidal Cu(II) complexes. From pH-dependent ESR and electronic spectroscopic studies, the imidazolate bridges in the two complexes have been found to be stable over broad pH ranges. The cyclic voltammograms of the two complexes have been investigated. Both of the two complexes can catalyze the dismutation of superoxide and show rather high activity.

Progenitors of low-luminosity Type II-Plateau supernovae

NASA Astrophysics Data System (ADS)

Lisakov, Sergey M.; Dessart, Luc; Hillier, D. John; Waldman, Roni; Livne, Eli

2018-01-01

The progenitors of low-luminosity Type II-Plateau supernovae (SNe II-P) are believed to be red supergiant (RSG) stars, but there is much disparity in the literature concerning their mass at core collapse and therefore on the main sequence. Here, we model the SN radiation arising from the low-energy explosion of RSG stars of 12, 25 and 27 M⊙ on the main sequence and formed through single star evolution. Despite the narrow range in ejecta kinetic energy (2.5-4.2 × 1050 erg) in our model set, the SN observables from our three models are significantly distinct, reflecting the differences in progenitor structure (e.g. surface radius, H-rich envelope mass and He-core mass). Our higher mass RSG stars give rise to Type II SNe that tend to have bluer colours at early times, a shorter photospheric phase, and a faster declining V-band light curve (LC) more typical of Type II-linear SNe, in conflict with the LC plateau observed for low-luminosity SNe II. The complete fallback of the CO core in the low-energy explosions of our high-mass RSG stars prevents the ejection of any 56Ni (nor any core O or Si), in contrast to low-luminosity SNe II-P, which eject at least 0.001 M⊙ of 56Ni. In contrast to observations, Type II SN models from higher mass RSGs tend to show an H α absorption that remains broad at late times (due to a larger velocity at the base of the H-rich envelope). In agreement with the analyses of pre-explosion photometry, we conclude that low-luminosity SNe II-P likely arise from low-mass rather than high-mass RSG stars.

Time-domain simulation of damped impacted plates. II. Numerical model and results.

PubMed

Lambourg, C; Chaigne, A; Matignon, D

2001-04-01

A time-domain model for the flexural vibrations of damped plates was presented in a companion paper [Part I, J. Acoust. Soc. Am. 109, 1422-1432 (2001)]. In this paper (Part II), the damped-plate model is extended to impact excitation, using Hertz's law of contact, and is solved numerically in order to synthesize sounds. The numerical method is based on the use of a finite-difference scheme of second order in time and fourth order in space. As a consequence of the damping terms, the stability and dispersion properties of this scheme are modified, compared to the undamped case. The numerical model is used for the time-domain simulation of vibrations and sounds produced by impact on isotropic and orthotropic plates made of various materials (aluminum, glass, carbon fiber and wood). The efficiency of the method is validated by comparisons with analytical and experimental data. The sounds produced show a high degree of similarity with real sounds and allow a clear recognition of each constitutive material of the plate without ambiguity.

Uncorrelated measurements of the cosmic expansion history and dark energy from supernovae

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Yun; Tegmark, Max; Department of Physics, University of Pennsylvania, Philadelphia, Pennsylvania 19104

We present a method for measuring the cosmic expansion history H(z) in uncorrelated redshift bins, and apply it to current and simulated type Ia supernova data assuming spatial flatness. If the matter density parameter {omega}{sub m} can be accurately measured from other data, then the dark-energy density history X(z)={rho}{sub X}(z)/{rho}{sub X}(0) can trivially be derived from this expansion history H(z). In contrast to customary 'black box' parameter fitting, our method is transparent and easy to interpret: the measurement of H(z){sup -1} in a redshift bin is simply a linear combination of the measured comoving distances for supernovae in that bin,more » making it obvious how systematic errors propagate from input to output. We find the Riess et al. (2004) gold sample to be consistent with the vanilla concordance model where the dark energy is a cosmological constant. We compare two mission concepts for the NASA/DOE Joint Dark-Energy Mission (JDEM), the Joint Efficient Dark-energy Investigation (JEDI), and the Supernova Accelaration Probe (SNAP), using simulated data including the effect of weak lensing (based on numerical simulations) and a systematic bias from K corrections. Estimating H(z) in seven uncorrelated redshift bins, we find that both provide dramatic improvements over current data: JEDI can measure H(z) to about 10% accuracy and SNAP to 30%-40% accuracy.« less

Application of the GERTS II simulator in the industrial environment.

NASA Technical Reports Server (NTRS)

Whitehouse, G. E.; Klein, K. I.

1971-01-01

GERT was originally developed to aid in the analysis of stochastic networks. GERT can be used to graphically model and analyze complex systems. Recently a simulator model, GERTS II, has been developed to solve GERT Networks. The simulator language used in the development of this model was GASP II A. This paper discusses the possible application of GERTS II to model and analyze (1) assembly line operations, (2) project management networks, (3) conveyor systems and (4) inventory systems. Finally, an actual application dealing with a job shop loading problem is presented.

Characterizations of strontium(II) and barium(II) adsorption from aqueous solutions using dolomite powder.

PubMed

Ghaemi, Ahad; Torab-Mostaedi, Meisam; Ghannadi-Maragheh, Mohammad

2011-06-15

In this research, adsorption technique was applied for strontium and barium removal from aqueous solution using dolomite powder. The process has been investigated as a function of pH, contact time, temperature and adsorbate concentration. The experimental data was analyzed using equilibrium isotherm, kinetic and thermodynamic models. The isotherm data was well described by Langmuir isotherm model. The maximum adsorption capacity was found to be 1.172 and 3.958 mg/g for Sr(II) and Ba(II) from the Langmuir isotherm model at 293 K, respectively. The kinetic data was tested using first and pseudo-second order models. The results indicated that adsorption fitted well with the pseudo-second order kinetic model. The thermodynamic parameters (ΔG°, ΔH°, and ΔS°) were also determined using the equilibrium constant value obtained at different temperatures. The results showed that the adsorption for both ions was feasible and exothermic. Copyright © 2011 Elsevier B.V. All rights reserved.

About APPLE II Operation

NASA Astrophysics Data System (ADS)

Schmidt, T.; Zimoch, D.

2007-01-01

The operation of an APPLE II based undulator beamline with all its polarization states (linear horizontal and vertical, circular and elliptical, and continous variation of the linear vector) requires an effective description allowing an automated calculation of gap and shift parameter as function of energy and operation mode. The extension of the linear polarization range from 0 to 180° requires 4 shiftable magnet arrrays, permitting use of the APU (adjustable phase undulator) concept. Studies for a pure fixed gap APPLE II for the SLS revealed surprising symmetries between circular and linear polarization modes allowing for simplified operation. A semi-analytical model covering all types of APPLE II and its implementation will be presented.

Type-II Dirac photons

NASA Astrophysics Data System (ADS)

Wang, Hai-Xiao; Chen, Yige; Hang, Zhi Hong; Kee, Hae-Young; Jiang, Jian-Hua

2017-09-01

The Dirac equation for relativistic electron waves is the parent model for Weyl and Majorana fermions as well as topological insulators. Simulation of Dirac physics in three-dimensional photonic crystals, though fundamentally important for topological phenomena at optical frequencies, encounters the challenge of synthesis of both Kramers double degeneracy and parity inversion. Here we show how type-II Dirac points—exotic Dirac relativistic waves yet to be discovered—are robustly realized through the nonsymmorphic screw symmetry. The emergent type-II Dirac points carry nontrivial topology and are the mother states of type-II Weyl points. The proposed all-dielectric architecture enables robust cavity states at photonic-crystal—air interfaces and anomalous refraction, with very low energy dissipation.

Bianchi type-II String Cosmological Model with Magnetic Field in Scale-Covariant Theory of Gravitation

NASA Astrophysics Data System (ADS)

Sharma, N. K.; Singh, J. K.

2014-12-01

The spatially homogeneous and totally anisotropic Bianchi type-II cosmological solutions of massive strings have been investigated in the presence of the magnetic field in the framework of scale-covariant theory of gravitation formulated by Canuto et al. (Phys. Rev. Lett. 39, 429, 1977). With the help of special law of variation for Hubble's parameter proposed by Berman (Nuovo Cimento 74, 182, 1983) string cosmological model is obtained in this theory. We use the power law relation between scalar field ϕ and scale factor R to find the solutions. Some physical and kinematical properties of the model are also discussed.

Testing spectral models for stellar populations with star clusters - II. Results

NASA Astrophysics Data System (ADS)

González Delgado, Rosa M.; Cid Fernandes, Roberto

2010-04-01

High spectral resolution evolutionary synthesis models have become a routinely used ingredient in extragalactic work, and as such deserve thorough testing. Star clusters are ideal laboratories for such tests. This paper applies the spectral fitting methodology outlined in Paper I to a sample of clusters, mainly from the Magellanic Clouds and spanning a wide range in age and metallicity, fitting their integrated light spectra with a suite of modern evolutionary synthesis models for single stellar populations. The combinations of model plus spectral library employed in this investigation are Galaxev/STELIB, Vazdekis/MILES, SED@/GRANADA and Galaxev/MILES+GRANADA, which provide a representative sample of models currently available for spectral fitting work. A series of empirical tests are performed with these models, comparing the quality of the spectral fits and the values of age, metallicity and extinction obtained with each of them. A comparison is also made between the properties derived from these spectral fits and literature data on these nearby, well studied clusters. These comparisons are done with the general goal of providing useful feedback for model makers, as well as guidance to the users of such models. We find the following. (i) All models are able to derive ages that are in good agreement both with each other and with literature data, although ages derived from spectral fits are on average slightly older than those based on the S-colour-magnitude diagram (S-CMD) method as calibrated by Girardi et al. (ii) There is less agreement between the models for the metallicity and extinction. In particular, Galaxev/STELIB models underestimate the metallicity by ~0.6 dex, and the extinction is overestimated by 0.1 mag. (iii) New generations of models using the GRANADA and MILES libraries are superior to STELIB-based models both in terms of spectral fit quality and regarding the accuracy with which age and metallicity are retrieved. Accuracies of about 0.1 dex in

TAF(II)250: a transcription toolbox.

PubMed

Wassarman, D A; Sauer, F

2001-08-01

Activation of RNA-polymerase-II-dependent transcription involves conversion of signals provided by gene-specific activator proteins into the synthesis of messenger RNA. This conversion requires dynamic structural changes in chromatin and assembly of general transcription factors (GTFs) and RNA polymerase II at core promoter sequence elements surrounding the transcription start site of genes. One hallmark of transcriptional activation is the interaction of DNA-bound activators with coactivators such as the TATA-box binding protein (TBP)-associated factors (TAF(II)s) within the GTF TFIID. TAF(II)250 possesses a variety of activities that are likely to contribute to the initial steps of RNA polymerase II transcription. TAF(II)250 is a scaffold for assembly of other TAF(II)s and TBP into TFIID, TAF(II)250 binds activators to recruit TFIID to particular promoters, TAF(II)250 regulates binding of TBP to DNA, TAF(II)250 binds core promoter initiator elements, TAF(II)250 binds acetylated lysine residues in core histones, and TAF(II)250 possesses protein kinase, ubiquitin-activating/conjugating and acetylase activities that modify histones and GTFs. We speculate that these activities achieve two goals--(1) they aid in positioning and stabilizing TFIID at particular promoters, and (2) they alter chromatin structure at the promoter to allow assembly of GTFs--and we propose a model for how TAF(II)250 converts activation signals into active transcription.

Molecular Models of Ruthenium(II) Organometallic Complexes

ERIC Educational Resources Information Center

Coleman, William F.

2007-01-01

This article presents the featured molecules for the month of March, which appear in the paper by Ozerov, Fafard, and Hoffman, and which are related to the study of the reactions of a number of "piano stool" complexes of ruthenium(II). The synthesis of compound 2a offers students an alternative to the preparation of ferrocene if they are only…

Next Generation Community Based Unified Global Modeling System Development and Operational Implementation Strategies at NCEP

NASA Astrophysics Data System (ADS)

Tallapragada, V.

2017-12-01

NOAA's Next Generation Global Prediction System (NGGPS) has provided the unique opportunity to develop and implement a non-hydrostatic global model based on Geophysical Fluid Dynamics Laboratory (GFDL) Finite Volume Cubed Sphere (FV3) Dynamic Core at National Centers for Environmental Prediction (NCEP), making a leap-step advancement in seamless prediction capabilities across all spatial and temporal scales. Model development efforts are centralized with unified model development in the NOAA Environmental Modeling System (NEMS) infrastructure based on Earth System Modeling Framework (ESMF). A more sophisticated coupling among various earth system components is being enabled within NEMS following National Unified Operational Prediction Capability (NUOPC) standards. The eventual goal of unifying global and regional models will enable operational global models operating at convective resolving scales. Apart from the advanced non-hydrostatic dynamic core and coupling to various earth system components, advanced physics and data assimilation techniques are essential for improved forecast skill. NGGPS is spearheading ambitious physics and data assimilation strategies, concentrating on creation of a Common Community Physics Package (CCPP) and Joint Effort for Data Assimilation Integration (JEDI). Both initiatives are expected to be community developed, with emphasis on research transitioning to operations (R2O). The unified modeling system is being built to support the needs of both operations and research. Different layers of community partners are also established with specific roles/responsibilities for researchers, core development partners, trusted super-users, and operations. Stakeholders are engaged at all stages to help drive the direction of development, resources allocations and prioritization. This talk presents the current and future plans of unified model development at NCEP for weather, sub-seasonal, and seasonal climate prediction applications with special

Artificial neural network (ANN) approach for modeling of Pb(II) adsorption from aqueous solution by Antep pistachio (Pistacia Vera L.) shells.

PubMed

Yetilmezsoy, Kaan; Demirel, Sevgi

2008-05-30

A three-layer artificial neural network (ANN) model was developed to predict the efficiency of Pb(II) ions removal from aqueous solution by Antep pistachio (Pistacia Vera L.) shells based on 66 experimental sets obtained in a laboratory batch study. The effect of operational parameters such as adsorbent dosage, initial concentration of Pb(II) ions, initial pH, operating temperature, and contact time were studied to optimise the conditions for maximum removal of Pb(II) ions. On the basis of batch test results, optimal operating conditions were determined to be an initial pH of 5.5, an adsorbent dosage of 1.0 g, an initial Pb(II) concentration of 30 ppm, and a temperature of 30 degrees C. Experimental results showed that a contact time of 45 min was generally sufficient to achieve equilibrium. After backpropagation (BP) training combined with principal component analysis (PCA), the ANN model was able to predict adsorption efficiency with a tangent sigmoid transfer function (tansig) at hidden layer with 11 neurons and a linear transfer function (purelin) at output layer. The Levenberg-Marquardt algorithm (LMA) was found as the best of 11 BP algorithms with a minimum mean squared error (MSE) of 0.000227875. The linear regression between the network outputs and the corresponding targets were proven to be satisfactory with a correlation coefficient of about 0.936 for five model variables used in this study.

[Islet transplantation in type II diabetes mellitus--model of the spontaneous diabetic Cohen rat].

PubMed

Wiegand, S; Bretzel, R G; Cohen, A M; Federlin, K

1989-01-01

The spontaneous diabetic Cohen-rat is one of the few animal models of the diabetes mellitus Type II (NIDDM). A spontaneous diabetic animal line and a diabetes-resistant line originated from a parental lineage by genetic selection with regard to the glucose tolerance on condition of feeding of a saccharose-rich and copper-poor diet. In each case 1000 islets of the diabetes-resistant line were transplanted in 28 animals of the diabetic line. Body weight, blood-sugar concentration, glucosuria, glucose tolerance, and the HbA1 were normalized after the transplantation. The serum levels of insulin and glucagon increased. These results emphasize etiopathogenetic importance of the islets of Langerhans in this animal model.

COMPUTATION OF GLOBAL PHOTOCHEMISTRY WITH SMVGEAR II (R823186)

EPA Science Inventory

A computer model was developed to simulate global gas-phase photochemistry. The model solves chemical equations with SMVGEAR II, a sparse-matrix, vectorized Gear-type code. To obtain SMVGEAR II, the original SMVGEAR code was modified to allow computation of different sets of chem...

CRISPR/Cas9: the Jedi against the dark empire of diseases.

PubMed

Khan, Sehrish; Mahmood, Muhammad Shahid; Rahman, Sajjad Ur; Zafar, Hassan; Habibullah, Sultan; Khan, Zulqarnain; Ahmad, Aftab

2018-03-28

Advances in Clustered Regularly Interspaced Short Palindromic Repeats/CRISPR associated system (CRISPR/Cas9) has dramatically reshaped our ability to edit genomes. The scientific community is using CRISPR/Cas9 for various biotechnological and medical purposes. One of its most important uses is developing potential therapeutic strategies against diseases. CRISPR/Cas9 based approaches have been increasingly applied to the treatment of human diseases like cancer, genetic, immunological and neurological disorders and viral diseases. These strategies using CRISPR/Cas9 are not only therapy oriented but can also be used for disease modeling as well, which in turn can lead to the improved understanding of mechanisms of various infectious and genetic diseases. In addition, CRISPR/Cas9 system can also be used as programmable antibiotics to kill the bacteria sequence specifically and therefore can bypass multidrug resistance. Furthermore, CRISPR/Cas9 based gene drive may also hold the potential to limit the spread of vector borne diseases. This bacterial and archaeal adaptive immune system might be a therapeutic answer to previous incurable diseases, of course rigorous testing is required to corroborate these claims. In this review, we provide an insight about the recent developments using CRISPR/Cas9 against various diseases with respect to disease modeling and treatment, and what future perspectives should be noted while using this technology.

Biosorption of cobalt(II) with sunflower biomass from aqueous solutions in a fixed bed column and neural networks modelling.

PubMed

Oguz, Ensar; Ersoy, Muhammed

2014-01-01

The effects of inlet cobalt(II) concentration (20-60 ppm), feed flow rate (8-19 ml/min) and bed height (5-15 cm), initial solution pH (3-5) and particle size (0.25II) concentration, 5 cm bed height and 8 ml/min flow rate, pH 6.5 and 0.25model and experimental data was conducted. The ANN model yielded determination coefficient of (R(2) 0.972), standard deviation ratio (0.166), mean absolute error (0.0158) and root mean square error (0.0141). The results indicated that the shells of the sunflower biomass is a suitable biosorbent for the uptake of cobalt(II) in fixed bed columns. © 2013 Published by Elsevier Inc.

Development and Evaluation of a Reactive-Dispersive Plume Model: TexAQS II 2006 Case Study

NASA Astrophysics Data System (ADS)

Kim, Yong Hoon; Kim, Hyun Soo; Song, Chul Han

2015-04-01

We describe the development and evaluation of a reactive-dispersive plume model (RDPM) that combines a photo-chemistry model with a plume dilution driven by turbulent dispersion of a power-plant plume. The plume transport and turbulent dispersion are derived from a Gaussian plume model and the plume chemistry model uses 71 HxOy-NxOy-CH4 chemistry-related reactions and 184 NMHC-related reactions. Emissions from large-scale point sources have continuously increased due to the rapid industrial growth. To extensively understand and assess atmospheric impacts of the power-plant emissions, a general RDPM was applied to simultaneously simulate the dynamics and photo-chemistry of the Texas power-plant plumes. During the second Texas Air Quality Study 2006 (TexAQS II 2006) on 16 September 2006, pollutant concentrations were measured by NOAA WP-3D aircraft with successive transects across power-plant plumes in Texas, USA. The simulation performances of the RDPM were evaluated by a comparison study, using the observation data obtained from the measurements of a NOAA WP-3D flight during TexAQS II 2006 airborne field campaign. On 16 September, the WP-3D aircraft observed mainly meteorological parameters and particulate species concentrations, traversing the Monticello and Welsh power-plant plumes four times from transects A to D. In addition, some meteorological variables in an initial condition for model simulation were obtained from the Weather Research and Forecasting (WRF) model output for the specific objects. These power-plant plume cases were selected in this study, because a large number of nitrogen oxides and sulfur dioxide concentrations inside the power-plant plumes were measured without any interruption of other emission sources. For the Monticello and Welsh power-plant plumes, the model-predicted concentrations showed good agreements with the observed concentrations of ambient species (e.g., nitrogen oxides, ozone, sulfur dioxide, etc.) at the four transects. Based

Rapid Adsorption of Copper(II) and Lead(II) by Rice Straw/Fe3O4 Nanocomposite: Optimization, Equilibrium Isotherms, and Adsorption Kinetics Study

PubMed Central

Khandanlou, Roshanak; Ahmad, Mansor B.; Fard Masoumi, Hamid Reza; Shameli, Kamyar; Basri, Mahiran; Kalantari, Katayoon

2015-01-01

Rice straw/magnetic nanocomposites (RS/Fe3O4-NCs) were prepared via co-precipitation method for removal of Pb(II) and Cu(II) from aqueous solutions. Response surface methodology (RSM) was utilized to find the optimum conditions for removal of ions. The effects of three independent variables including initial ion concentration, removal time, and adsorbent dosage were investigated on the maximum adsorption of Pb (II) and Cu (II). The optimum conditions for the adsorption of Pb(II) and Cu(II) were obtained (100 and 60 mg/L) of initial ion concentration, (41.96 and 59.35 s) of removal time and 0.13 g of adsorbent for both ions, respectively. The maximum removal efficiencies of Pb(II) and Cu(II) were obtained 96.25% and 75.54%, respectively. In the equilibrium isotherm study, the adsorption data fitted well with the Langmuir isotherm model. The adsorption kinetics was best depicted by the pseudo-second order model. Desorption experiments showed adsorbent can be reused successfully for three adsorption-desorption cycles. PMID:25815470

Potential Economic Impacts from Offshore Wind in the Gulf of Mexico Region (Fact Sheet)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Flores, F.; Keyser, D.; Tegen, S.

2014-01-01

Offshore wind is a clean, renewable source of energy and can be an economic driver in the United States. To better understand the employment opportunities and other potential regional economic impacts from offshore wind development, the U.S. Department of Energy (DOE) funded research that focuses on four regions of the country. The studies use multiple scenarios with various local job and domestic manufacturing content assumptions. Each regional study uses the new offshore wind Jobs and Economic Development Impacts (JEDI) model, developed by the National Renewable Energy Laboratory. This fact sheet summarizes the potential economic impacts for the Gulf of Mexicomore » region.« less

Experiment, modeling and optimization of liquid phase adsorption of Cu(II) using dried and carbonized biomass of Lyngbya majuscula

NASA Astrophysics Data System (ADS)

Kushwaha, Deepika; Dutta, Susmita

2017-05-01

The present work aims at evaluation of the potential of cyanobacterial biomass to remove Cu(II) from simulated wastewater. Both dried and carbonized forms of Lyngbya majuscula, a cyanobacterial strain, have been used for such purpose. The influences of different experimental parameters viz., initial Cu(II) concentration, solution pH and adsorbent dose have been examined on sorption of Cu(II). Kinetic and equilibrium studies on Cu(II) removal from simulated wastewater have been done using both dried and carbonized biomass individually. Pseudo-second-order model and Langmuir isotherm have been found to fit most satisfactorily to the kinetic and equilibrium data, respectively. Maximum 87.99 and 99.15 % of Cu(II) removal have been achieved with initial Cu(II) concentration of 10 and 25 mg/L for dried and carbonized algae, respectively, at an adsorbent dose of 10 g/L for 20 min of contact time and optimum pH 6. To optimize the removal process, Response Surface Methodology has been employed using both the dried and carbonized biomass. Removal with initial Cu(II) concentration of 20 mg/L, with 0.25 g adsorbent dose in 50 mL solution at pH 6 has been found to be optimum with both the adsorbents. This is the first ever attempt to make a comparative study on Cu(II) removal using both dried algal biomass and its activated carbon. Furthermore, regeneration of matrix was attempted and more than 70% and 80% of the adsorbent has been regenerated successfully in the case of dried and carbonized biomass respectively upto the 3rd cycle of regeneration study.

[Algorithm for estimating chlorophyll-a concentration in case II water body based on bio-optical model].

PubMed

Yang, Wei; Chen, Jin; Mausushita, Bunki

2009-01-01

In the present study, a novel retrieval method for estimating chlorophyll-a concentration in case II waters based on bio-optical model was proposed and was tested with the data measured in the laboratory. A series of reflectance spectra, with which the concentration of each sample constituent (for example chlorophyll-a, NPSS etc.) was obtained from accurate experiments, were used to calculate the absorption and backscattering coefficients of the constituents of the case II waters. Then non-negative least square method was applied to calculate the concentration of chlorophyll-a and non-phytoplankton suspended sediments (NPSS). Green algae was firstly collected from the Kasumigaura lake in Japan and then cultured in the laboratory. The reflectance spectra of waters with different amounts of phytoplankton and NPSS were measured in the dark room using FieldSpec Pro VNIR (Analytical Spectral Devises Inc. , Boulder, CO, USA). In order to validate whether this method can be applied in multispectral data (for example Landsat TM), the spectra measured in the laboratory were resampled with Landsat TM bands 1, 2, 3 and 4. Different combinations of TM bands were compared to derive the most appropriate wavelength for detecting chlorophyll-a in case II water for green algae. The results indicated that the combination of TM bands 2, 3 and 4 achieved much better accuracy than other combinations, and the estimated concentration of chlorophyll-a was significantly more accurate than empirical methods. It is expected that this method can be directly applied to the real remotely sensed image because it is based on bio-optical model.

Statistical Tools for Fitting Models of the Population Consequences of Acoustic Disturbance to Data from Marine Mammal Populations (PCAD Tools II)

DTIC Science & Technology

2014-09-30

Consequences of Acoustic Disturbance to Data from Marine Mammal Populations (PCAD Tools II) Len Thomas, John Harwood, Catriona Harris, and Robert S... mammals changes over time. This project will develop statistical tools to allow mathematical models of the population consequences of acoustic...disturbance to be fitted to data from marine mammal populations. We will work closely with Phase II of the ONR PCAD Working Group, and will provide

Efficient Simulation of Secondary Fluorescence Via NIST DTSA-II Monte Carlo.

PubMed

Ritchie, Nicholas W M

2017-06-01

Secondary fluorescence, the final term in the familiar matrix correction triumvirate Z·A·F, is the most challenging for Monte Carlo models to simulate. In fact, only two implementations of Monte Carlo models commonly used to simulate electron probe X-ray spectra can calculate secondary fluorescence-PENEPMA and NIST DTSA-II a (DTSA-II is discussed herein). These two models share many physical models but there are some important differences in the way each implements X-ray emission including secondary fluorescence. PENEPMA is based on PENELOPE, a general purpose software package for simulation of both relativistic and subrelativistic electron/positron interactions with matter. On the other hand, NIST DTSA-II was designed exclusively for simulation of X-ray spectra generated by subrelativistic electrons. NIST DTSA-II uses variance reduction techniques unsuited to general purpose code. These optimizations help NIST DTSA-II to be orders of magnitude more computationally efficient while retaining detector position sensitivity. Simulations execute in minutes rather than hours and can model differences that result from detector position. Both PENEPMA and NIST DTSA-II are capable of handling complex sample geometries and we will demonstrate that both are of similar accuracy when modeling experimental secondary fluorescence data from the literature.

Comprehensive Study of Educational Technology Programs Authorized from 1989-1992. Volume II: Model Technology Schools, Level I.

ERIC Educational Resources Information Center

Far West Lab. for Educational Research and Development, San Francisco, CA.

This report, the second in a series of six, presents the findings of evaluative studies of six Level I Model Technology School sites which were conducted as part of Phase II of the California Educational Technology Assessment Program. The project sites are: Alhambra City School District (two schools); Cupertino Union Elementary District and…

Java-based Graphical User Interface for MAVERIC-II

NASA Technical Reports Server (NTRS)

Seo, Suk Jai

2005-01-01

A computer program entitled "Marshall Aerospace Vehicle Representation in C II, (MAVERIC-II)" is a vehicle flight simulation program written primarily in the C programming language. It is written by James W. McCarter at NASA/Marshall Space Flight Center. The goal of the MAVERIC-II development effort is to provide a simulation tool that facilitates the rapid development of high-fidelity flight simulations for launch, orbital, and reentry vehicles of any user-defined configuration for all phases of flight. MAVERIC-II has been found invaluable in performing flight simulations for various Space Transportation Systems. The flexibility provided by MAVERIC-II has allowed several different launch vehicles, including the Saturn V, a Space Launch Initiative Two-Stage-to-Orbit concept and a Shuttle-derived launch vehicle, to be simulated during ascent and portions of on-orbit flight in an extremely efficient manner. It was found that MAVERIC-II provided the high fidelity vehicle and flight environment models as well as the program modularity to allow efficient integration, modification and testing of advanced guidance and control algorithms. In addition to serving as an analysis tool for techno logy development, many researchers have found MAVERIC-II to be an efficient, powerful analysis tool that evaluates guidance, navigation, and control designs, vehicle robustness, and requirements. MAVERIC-II is currently designed to execute in a UNIX environment. The input to the program is composed of three segments: 1) the vehicle models such as propulsion, aerodynamics, and guidance, navigation, and control 2) the environment models such as atmosphere and gravity, and 3) a simulation framework which is responsible for executing the vehicle and environment models and propagating the vehicle s states forward in time and handling user input/output. MAVERIC users prepare data files for the above models and run the simulation program. They can see the output on screen and/or store in

Tight-binding model of the photosystem II reaction center: application to two-dimensional electronic spectroscopy

NASA Astrophysics Data System (ADS)

Gelzinis, Andrius; Valkunas, Leonas; Fuller, Franklin D.; Ogilvie, Jennifer P.; Mukamel, Shaul; Abramavicius, Darius

2013-07-01

We propose an optimized tight-binding electron-hole model of the photosystem II (PSII) reaction center (RC). Our model incorporates two charge separation pathways and spatial correlations of both static disorder and fast fluctuations of energy levels. It captures the main experimental features observed in time-resolved two-dimensional (2D) optical spectra at 77 K: peak pattern, lineshapes and time traces. Analysis of 2D spectra kinetics reveals that specific regions of the 2D spectra of the PSII RC are sensitive to the charge transfer states. We find that the energy disorder of two peripheral chlorophylls is four times larger than the other RC pigments.

Zn(II) stimulation of Fe(II)-activated repression in the iron-dependent repressor from Mycobacterium tuberculosis.

PubMed

Stapleton, Brian; Walker, Lawrence R; Logan, Timothy M

2013-03-19

Thermodynamic measurements of Fe(II) binding and activation of repressor function in the iron-dependent repressor from Mycobacterium tuberculosis (IdeR) are reported. IdeR, a member of the diphtheria toxin repressor family of proteins, regulates iron homeostasis and contributes to the virulence response in M. tuberculosis. Although iron is the physiological ligand, this is the first detailed analysis of iron binding and activation in this protein. The results showed that IdeR binds 2 equiv of Fe(II) with dissociation constants that differ by a factor of 25. The high- and low-affinity iron binding sites were assigned to physical binding sites I and II, respectively, using metal binding site mutants. IdeR was also found to contain a high-affinity Zn(II) binding site that was assigned to physical metal binding site II through the use of binding site mutants and metal competition assays. Fe(II) binding was modestly weaker in the presence of Zn(II), but the coupled metal binding-DNA binding affinity was significantly stronger, requiring 30-fold less Fe(II) to activate DNA binding compared to Fe(II) alone. Together, these results suggest that IdeR is a mixed-metal repressor, where Zn(II) acts as a structural metal and Fe(II) acts to trigger the physiologically relevant promoter binding. This new model for IdeR activation provides a better understanding of IdeR and the biology of iron homeostasis in M. tuberculosis.

SAGE II Ozone Analysis

NASA Technical Reports Server (NTRS)

Cunnold, Derek; Wang, Ray

2002-01-01

Publications from 1999-2002 describing research funded by the SAGE II contract to Dr. Cunnold and Dr. Wang are listed below. Our most recent accomplishments include a detailed analysis of the quality of SAGE II, v6.1, ozone measurements below 20 km altitude (Wang et al., 2002 and Kar et al., 2002) and an analysis of the consistency between SAGE upper stratospheric ozone trends and model predictions with emphasis on hemispheric asymmetry (Li et al., 2001). Abstracts of the 11 papers are attached.

Chemical speciation and bioavailability of Cu(II). Study of the ionic copper(II) and bis(glycinate)-copper(II) accumulation by Lemna species

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benda, F.; Kouba, J.

1991-03-01

In this paper, the authors examined the accumulation of copper(II) in, and its toxic effect on, duckweed, a plant which exhibits extremely high concentration factors. The effect of copper(II) was investigated by adding it to the minimal medium in two forms: CuSO{sub 4} and (Cu(Gly){sub 2}). The neutral (2:1) tetracoordinated bis(glycinate)-copper(II) complex is constituted by two five-membered rings bonded to the central copper atom with the cis configuration. This complex was chosen to model the function of a neutral species (eliminating the charge effect) involving a nontoxic ligand, for which - in contrast to the hydrated Cu{sup 2+} species -more » direct permeation through the cell wall is conceivable.« less

Tartrazine modified activated carbon for the removal of Pb(II), Cd(II) and Cr(III).

PubMed

Monser, Lotfi; Adhoum, Nafaâ

2009-01-15

A two in one attempt for the removal of tartrazine and metal ions on activated carbon has been developed. The method was based on the modification of activated carbon with tartrazine then its application for the removal of Pb(II), Cd(II) and Cr(III) ions at different pH values. Tartrazine adsorption data were modelled using both Langmuir and Freundlich classical adsorption isotherms. The adsorption capacities qm were 121.3, 67 and 56.7mgg(-1) at initial pH values of 1.0, 6.0 and 10, respectively. The adsorption of tartrazine onto activated carbon followed second-order kinetic model. The equilibrium time was found to be 240min at pH 1.0 and 120min at pH 10 for 500mgL(-1) tartrazine concentration. A maximum removal of 85% was obtained after 1h of contact time. The presence of tartrazine as modifier enhances attractive electrostatic interactions between metal ions and carbon surface. The adsorption capacity for Pb(II), Cd(II) and Cr(III) ions has been improved with respect to non-modified carbon reaching a maximum of 140%. The adsorption capacity was found to be a pH dependent for both modified and non-modified carbon with a greater adsorption at higher pH values except for Cr(III). The enhancement percent of Pb(II), Cd(II) and Cr(III) at different pH values was varied from 28% to 140% with respect to non-modified carbon. The amount of metal ions adsorbed using static regime was 11-40% higher than that with dynamic mode. The difference between adsorption capacities could be attributed to the applied flow rate.

Understanding the Origin of Jupiter's Diffuse Aurora Using Juno's First Perijove Observations

NASA Astrophysics Data System (ADS)

Li, W.; Thorne, R. M.; Ma, Q.; Zhang, X.-J.; Gladstone, G. R.; Hue, V.; Valek, P. W.; Allegrini, F.; Mauk, B. H.; Clark, G.; Kurth, W. S.; Hospodarsky, G. B.; Connerney, J. E. P.; Bolton, S. J.

2017-10-01

Juno observed the low-altitude polar region during perijove 1 on 27 August 2016 for the first time. Auroral intensity and false-color maps from the Ultraviolet Spectrograph (UVS) instrument show extensive diffuse aurora observed equatorward of the main auroral oval. Juno passed over the diffuse auroral region near the System III longitude of 120°-150° (90°-120°) in the northern (southern) hemisphere. In the region where these diffuse auroral emissions were observed, the Jupiter Energetic Particle Detector Instrument (JEDI) and Jovian Auroral Distributions Experiment (JADE) instruments measured nearly full loss cone distributions for the downward going electrons over energies of 0.1-700 keV but very few upward going electrons. The false-color maps from UVS indicate more energetic electron precipitation at lower latitudes than less energetic electron precipitation, consistent with observations of precipitating electrons measured by JEDI and JADE. The comparison between particle and aurora measurements provides first direct evidence that these precipitating energetic electrons are mainly responsible for the diffuse auroral emissions at Jupiter.

Application of EDTA-functionalized bamboo activated carbon (BAC) for Pb(II) and Cu(II) removal from aqueous solutions

NASA Astrophysics Data System (ADS)

Lv, Dan; Liu, Yu; Zhou, Jiasheng; Yang, Kunlun; Lou, Zimo; Baig, Shams Ali; Xu, Xinhua

2018-01-01

In this study, a novel bamboo activated carbon (BAC) with ethylene diamine tetraacetic acid (EDTA) functionality was prepared by direct grafting in the presence of tetraethyl orthosilicate (TEOS) as a crosslinking agent. The BAC@SiO2-EDTA was characterized by SEM, TEM, TGA, FTIR, XPS and its adsorption property for removal of Pb(II) and Cu(II) under various experimental conditions was also investigated. The characterization results reflected that EDTA was successfully assembled on the surface of the BAC and average pore size increased from 4.10 to 4.83 nm as BAC grafted with EDTA. Adsorption data fitted very well in Langmuir isotherm model and pseudo-second-order kinetic model. As compared with the raw BAC, the maximum adsorption capacities of BAC@SiO2-EDTA for the Pb(II) and Cu(II) increased from 45.45 to 123.45 mg g-1 and from 6.85 to 42.19 mg g-1, since the existence of EDTA on modified BAC promoted the formation of chemical complex. The removal of heavy metal ions mainly depended on the complexation with EDTA and the electrostatic attractions with negatively charged surface of BAC@SiO2-EDTA. The adsorption of Pb(II)/Cu(II) on the BAC@SiO2-EDTA was pH dependent and pH 5-6 was considered an optimum. However, lower temperature favored the adsorption and the maximum adsorption was recorded at 20 °C. In addition, BAC@SiO2-EDTA had an excellent reusability with about 40% decline in the adsorption capacity for Pb(II) after fifth reuse. Insignificant influences of co-existing cations and natural organic matter (NOM) were found on the adsorption of Pb(II) and Cu(II). All the results demonstrate that BAC@SiO2-EDTA is a potential adsorbent for metal ions in wastewater.

Regression model, artificial neural network, and cost estimation for biosorption of Ni(II)-ions from aqueous solutions by Potamogeton pectinatus.

PubMed

Fawzy, Manal; Nasr, Mahmoud; Adel, Samar; Helmi, Shacker

2018-03-21

This study investigated the application of Potamogeton pectinatus for Ni(II)-ions biosorption from aqueous solutions. FTIR spectra showed that the functional groups of -OH, C-H, -C = O, and -COO- could form an organometallic complex with Ni(II)-ions on the biomaterial surface. SEM/EDX analysis indicated that the voids on the biosorbent surface were blocked due to Ni(II)-ions uptake via an ion exchange mechanism. For Ni(II)-ions of 50 mg/L, the adsorption efficiency recorded 63.4% at pH: 5, biosorbent dosage: 10 g/L, and particle-diameter: 0.125-0.25 mm within 180 minutes. A quadratic model depicted that the plot of removal efficiency against pH or contact time caused quadratic-linear concave up curves, whereas the curve of initial Ni(II)-ions was quadratic-linear convex down. Artificial neural network with a structure of 5 - 6 - 1 was able to predict the adsorption efficiency (R 2 : 0.967). The relative importance of inputs was: initial Ni(II)-ions > pH > contact time > biosorbent dosage > particle-size. Freundlich isotherm described well the adsorption mechanism (R 2 : 0.974), which indicated a multilayer adsorption onto energetically heterogeneous surfaces. The net cost of using P. pectinatus for the removal of Ni(II)-ions (4.25 ± 1.26 mg/L) from real industrial effluents within 30 minutes was 3.4 $USD/m 3 .

Endothelial-monocyte activating polypeptide II disrupts alveolar epithelial type II to type I cell transdifferentiation

PubMed Central

2012-01-01

Background Distal alveolar morphogenesis is marked by differentiation of alveolar type (AT)-II to AT-I cells that give rise to the primary site of gas exchange, the alveolar/vascular interface. Endothelial-Monocyte Activating Polypeptide (EMAP) II, an endogenous protein with anti-angiogenic properties, profoundly disrupts distal lung neovascularization and alveolar formation during lung morphogenesis, and is robustly expressed in the dysplastic alveolar regions of infants with Bronchopulmonary dysplasia. Determination as to whether EMAP II has a direct or indirect affect on ATII→ATI trans-differentiation has not been explored. Method In a controlled nonvascular environment, an in vitro model of ATII→ATI cell trans-differentiation was utilized to demonstrate the contribution that one vascular mediator has on distal epithelial cell differentiation. Results Here, we show that EMAP II significantly blocked ATII→ATI cell transdifferentiation by increasing cellular apoptosis and inhibiting expression of ATI markers. Moreover, EMAP II-treated ATII cells displayed myofibroblast characteristics, including elevated cellular proliferation, increased actin cytoskeleton stress fibers and Rho-GTPase activity, and increased nuclear:cytoplasmic volume. However, EMAP II-treated cells did not express the myofibroblast markers desmin or αSMA. Conclusion Our findings demonstrate that EMAP II interferes with ATII → ATI transdifferentiation resulting in a proliferating non-myofibroblast cell. These data identify the transdifferentiating alveolar cell as a possible target for EMAP II's induction of alveolar dysplasia. PMID:22214516

Kinetics of FeII-polyaminocarboxylate oxidation by molecular oxygen

NASA Astrophysics Data System (ADS)

Wilson, Jessica M.; Farley, Kevin J.; Carbonaro, Richard F.

2018-03-01

Complexation of iron by naturally-occurring and synthetic organic ligands has a large effect on iron oxidation and reduction rates which in turn affect the aqueous geochemistry of many other chemical constituents. In this study, the kinetics of FeII oxidation in the presence of the polyaminocarboxylate synthetic chelating agents ethylene glycol tetraacetic acid (EGTA) and trimethylenediamine-N,N,N‧,N‧-tetraacetic acid (TMDTA) was investigated over the pH range 5.50-8.53. Batch oxidation experiments in the presence of molecular oxygen were conducted using a 2:1 M concentration ratio of polyaminocarboxylate (ligand, L) to FeII. The experimental data resembled first order kinetics for the oxidation of FeII-L to FeIII-L and observed rate constants at pH 6.0 were comparable to rate constants for the oxidation of inorganic FeII. Similar to other structurally-similar FeII-polyaminocarboxylate complexes, oxidation rates of FeII-EGTA and FeII-TMDTA decrease with increasing pH, which is the opposite trend for the oxidation of FeII complexed with inorganic ligands. However, the oxidation rates of FeII complexed with EGTA and TMDTA were considerably lower (4-5 orders of magnitude) than FeII complexed to ethylenediaminetetraacetic acid (EDTA). The distinguishing feature of the slower-reacting complexes is that they have a longer backbone between diamine functional groups. An analytical equilibrium model was developed to determine the contributions of the species FeIIL2- and FeII(H)L- to the overall oxidation rate of FeII-L. Application of this model indicated that the protonated FeII(H)L species are more than three orders of magnitude more reactive than FeIIL2-. These rate constants were used in a coupled kinetic equilibrium numerical model where the ligand to iron ratio (TOTL:TOTFe) and pH were varied to evaluate the effect on the FeII oxidation rate. Overall, increasing TOTL:TOTFe for EGTA and TMDTA enhances FeII oxidation rates at lower pH and inhibits FeII oxidation

40 CFR Appendix II to Subpart E - Sampling Tables

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Sampling Tables II Appendix II to Subpart E Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) NOISE ABATEMENT PROGRAMS... II to Subpart E—Sampling Tables Table 1—Model Year Production Volume of 50-99 Vehicles Cumulative...

40 CFR Appendix II to Subpart E - Sampling Tables

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Sampling Tables II Appendix II to Subpart E Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) NOISE ABATEMENT PROGRAMS... II to Subpart E—Sampling Tables Table 1—Model Year Production Volume of 50-99 Vehicles Cumulative...

Column dynamic studies and breakthrough curve analysis for Cd(II) and Cu(II) ions adsorption onto palm oil boiler mill fly ash (POFA).

PubMed

Aziz, Abdul Shukor Abdul; Manaf, Latifah Abd; Man, Hasfalina Che; Kumar, Nadavala Siva

2014-01-01

This paper investigates the adsorption characteristics of palm oil boiler mill fly ash (POFA) derived from an agricultural waste material in removing Cd(II) and Cu(II) from aqueous solution via column studies. The performance of the study is described through the breakthrough curves concept under relevant operating conditions such as column bed depths (1, 1.5, and 2 cm) and influent metal concentrations (5, 10, and 20 mg/L). The Cd(II) and Cu(II) uptake mechanism is particularly bed depth- and concentration-dependant, favoring higher bed depth and lower influent metal concentration. The highest bed capacity of 34.91 mg Cd(II)/g and 21.93 mg Cu(II)/g of POFA was achieved at 20 mg/L of influent metal concentrations, column bed depth of 2 cm, and flow rate of 5 mL/min. The whole breakthrough curve simulation for both metal ions were best described using the Thomas and Yoon–Nelson models, but it is apparent that the initial region of the breakthrough for Cd(II) was better described using the BDST model. The results illustrate that POFA could be utilized effectively for the removal of Cd(II) and Cu(II) ions from aqueous solution in a fixed-bed column system.

Biosorption studies on copper (II) and cadmium (II) using pretreated rice straw and rice husk.

PubMed

Li, W C; Law, F Y; Chan, Y H M

2017-04-01

This study investigated the adsorption and removal behaviour of copper (Cu) (II) and cadmium (Cd) (II) ions using rice husk and rice straw in aqueous solutions. Different parameters were used to investigate their adsorption performance in saline conditions and the optimal level of biosorption at different pH levels. The main parameters were pH (3, 6 and 9), initial concentration level of heavy metals (Cu (II) 5, 10, 20, 40 and 60 mg/L and Cd (II) 0.5, 1, 2, 4 and 8 mg/L, respectively), salinity (0, 50 and 100 mM NaCl) and contact time (ranging from 3 to 60 min). Langmuir and Freundlich isotherm models were applied to analyse the removal efficiency and sorption capacity of the pretreated rice husk and rice straw. The removal efficiency and adsorption capacity generally increased with the pH and reached a plateau in alkaline conditions. The percentage removal of Cu (II) by rice husk reached 97 % at pH 9 and 95 % by rice straw at pH 6. Biosorption performance increased in the absence of NaCl. Kinetic studies for both metals revealed that the biosorption of Cu (II) and Cd (II) onto rice straw and husk was pseudo-second order.

Stochastic dynamics and mechanosensitivity of myosin II minifilaments

NASA Astrophysics Data System (ADS)

Albert, Philipp J.; Erdmann, Thorsten; Schwarz, Ulrich S.

2014-09-01

Tissue cells are in a state of permanent mechanical tension that is maintained mainly by myosin II minifilaments, which are bipolar assemblies of tens of myosin II molecular motors contracting actin networks and bundles. Here we introduce a stochastic model for myosin II minifilaments as two small myosin II motor ensembles engaging in a stochastic tug-of-war. Each of the two ensembles is described by the parallel cluster model that allows us to use exact stochastic simulations and at the same time to keep important molecular details of the myosin II cross-bridge cycle. Our simulation and analytical results reveal a strong dependence of myosin II minifilament dynamics on environmental stiffness that is reminiscent of the cellular response to substrate stiffness. For small stiffness, minifilaments form transient crosslinks exerting short spikes of force with negligible mean. For large stiffness, minifilaments form near permanent crosslinks exerting a mean force which hardly depends on environmental elasticity. This functional switch arises because dissociation after the power stroke is suppressed by force (catch bonding) and because ensembles can no longer perform the power stroke at large forces. Symmetric myosin II minifilaments perform a random walk with an effective diffusion constant which decreases with increasing ensemble size, as demonstrated for rigid substrates with an analytical treatment.

Manganese(II), iron(II), cobalt(II), and copper(II) complexes of an extended inherently chiral tris-bipyridyl cage.

PubMed

Perkins, David F; Lindoy, Leonard F; McAuley, Alexander; Meehan, George V; Turner, Peter

2006-01-17

Manganese(II), iron(II), cobalt(II), and copper(II) derivatives of two inherently chiral, Tris(bipyridyl) cages (L and L') of type [ML]-(PF(6))(2)(solvent)(n) and [FeL'](ClO(4))(2) are reported, where L is the hexa-tertiary butyl-substituted derivative of L'. These products were obtained by using the free cage and metal template procedures; the latter involved the reductive amination of the respective Tris-dialdehyde precursor complexes of iron(II), cobalt(II), or nickel(II). Electrochemical, EPR, and NMR studies have been used to probe the nature of the individual complexes. X-ray structures of the manganese(II), iron(II), and copper(II) complexes of L and the iron(II) complex of L' are presented; these are compared with the previously reported structures of the corresponding nickel(II) complex and metal-free cage (L). In each complex the metal cation occupies the cage's central cavity and is coordinated to six nitrogens from the three bipyridyl groups. The cations [MnL](2+) and [FeL](2+) are isostructural but both exhibit a different arrangement of the bound cage to that observed in the corresponding nickel(II) and copper(II) complexes. The latter have an exo-exo arrangement of the bridgehead nitrogen lone pairs, with the metal inducing a triple helical twist that extends approximately 22 A along the axial length of each complex. In contrast, [MnL](2+) and [FeL](2+) have their terminal nitrogen lone pairs directed endo, causing a significant change in the configuration of the bound ligand. In [FeL'](2+), the cage has both bridgehead nitrogen lone pairs orientated exo. Semiempirical calculations indicate that the observed endo-endo and exo-exo arrangements are of comparable energy.

FutureTox II: In vitro Data and In Silico Models for Predictive Toxicology

PubMed Central

Knudsen, Thomas B.; Keller, Douglas A.; Sander, Miriam; Carney, Edward W.; Doerrer, Nancy G.; Eaton, David L.; Fitzpatrick, Suzanne Compton; Hastings, Kenneth L.; Mendrick, Donna L.; Tice, Raymond R.; Watkins, Paul B.; Whelan, Maurice

2015-01-01

FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo responses from in vitro and in silico data, and to define the goals for the future. Presentations and discussions were held on priority concerns such as predicting and modeling of metabolism, cell growth and differentiation, effects on sensitive subpopulations, and integrating data into risk assessment. Emerging trends in technologies such as stem cell-derived human cells, 3D organotypic culture models, mathematical modeling of cellular processes and morphogenesis, adverse outcome pathway development, and high-content imaging of in vivo systems were discussed. Although advances in moving towards an in vitro/in silico based risk assessment paradigm were apparent, knowledge gaps in these areas and limitations of technologies were identified. Specific recommendations were made for future directions and research needs in the areas of hepatotoxicity, cancer prediction, developmental toxicity, and regulatory toxicology. PMID:25628403

Angiotensin II improves random-flap viability in a rat model.

PubMed

Okuyama, N; Roda, N; Sherman, R; Guerrero, A; Dougherty, W; Nguyen, T; diZerega, G; Rodgers, K

1999-03-01

Angiotensin II (AII) is a naturally occurring peptide that has been shown to be angiogenic, cause the proliferation of several primary cell types (including endothelial cells), accelerate the repair of dermal injuries, and increase production of growth factors and extracellular matrix. The effect of a single administration of AII on the viability and vascularity of a random flap was assessed in a rat model. In the control model, the viability of the distal portion of the flap was reduced consistently by postoperative day 8. Initially, AII was administered in an aqueous vehicle (phosphate-buffered saline [PBS]) and a viscous vehicle (10% carboxymethyl cellulose [CMC]). Administration of 1 mg per milliliter AII in PBS did not affect the viability of random flaps (1.2 x 7 cm) in this animal model. However, a single administration of a higher dose of AII in PBS (10 mg per milliliter) or 1 mg per milliliter AII in the CMC vehicle resulted in 67% of the grafts being fully viable at postsurgical day 12, in contrast to vehicle-treated control flaps, none of which were fully viable at day 12. Furthermore, the portion of the flap that was viable was increased significantly (p < or = 0.05). Subsequently, a study was conducted to assess the dose-response curve for AII in a CMC vehicle in this rat model. As the dose of AII was reduced, the percentage of animals with fully viable flaps and the percentage of the flap that was viable decreased correspondingly. Administration of 0.03 mg per milliliter AII and greater increased significantly (p < or = 0.05) the viability of the flaps. In conclusion, AII appears to be highly efficacious in increasing the percentage of distal flap surface area survival when administered as a single topical dose to the wound bed.

Preparation of Palladium(II) Ion-Imprinted Polymeric Nanospheres and Its Removal of Palladium(II) from Aqueous Solution

NASA Astrophysics Data System (ADS)

Tao, Hu-Chun; Gu, Yi-Han; Liu, Wei; Huang, Shuai-Bin; Cheng, Ling; Zhang, Li-Juan; Zhu, Li-Li; Wang, Yong

2017-11-01

Three kinds of functional monomers, 4-vinylpridine(4-VP), 2-(allylthio)nicotinic acid(ANA), and 2-Acetamidoacrylic acid(AAA), were used to synthetize palladium(II) ion-imprinted polymeric nanospheres (Pd(II) IIPs) via precipitation-polymerization method in order to study the effects of different functional monomers on the adsorption properties of ion-imprinted materials. The results of UV spectra in order to study the interaction between template ion PdCl4 2- and functional monomers showed that there were great differences in structure after the template reacted with three functional monomers, 4-VP and ANA caused a large structural change, while AAA basically did not change. Further results on the adsorption performance of Pd(II) IIPs on Pd(II) confirmed 4-VP was the most promising candidate for the synthesis of Pd(II) IIPs with an adsorption capacity of 5.042 mg/g as compared with ANA and AAA. The influence of operating parameters on Pd(II) IIP's performance on Pd(II) adsorption was investigated. There was an increase in the adsorption capacity of Pd(II) IIPs at higher pH, temperature, and initial concentration of Pd(II). The results of multi-metal competitive adsorption experiments showed that Pd(II) IIPs had selectivity for Pd(II). An adsorption equilibrium could be reached at 180 min. Kinetic analysis showed that the adsorption test data fitted best to the pseudo-second order kinetic model, and the theoretical equilibrium adsorption capacity was about 5.085 mg/g. The adsorption isotherms of Pd(II) by Pd(II) IIPs agreed well with the Freundlich equation, suggesting a favorable adsorption reaction under optimal conditions. These results showed that Pd(II) IIPs have potential application in the removal of Pd(II) from aqueous solutions and may provide some information for the selection of functional monomers in the preparation of Pd(II) IIPs.

The Political Scientist as Local Campaign Consultant

ERIC Educational Resources Information Center

Crew, Robert E., Jr.

2011-01-01

During my 45 years as an academic, I have followed the admonition sometimes attributed to the legendary Jedi warrior Obi-Wan Kenobe that political scientists should "use [their] power for good and not for evil." In this spirit, I have devoted substantial portions of my career to public service by providing strategic advice and campaign management…

Overview of the Mathematical and Empirical Receptor Models Workshop (Quail Roost II)

NASA Astrophysics Data System (ADS)

Stevens, Robert K.; Pace, Thompson G.

On 14-17 March 1982, the U.S. Environmental Protection Agency sponsored the Mathematical and Empirical Receptor Models Workshop (Quail Roost II) at the Quail Roost Conference Center, Rougemont, NC. Thirty-five scientists were invited to participate. The objective of the workshop was to document and compare results of source apportionment analyses of simulated and real aerosol data sets. The simulated data set was developed by scientists from the National Bureau of Standards. It consisted of elemental mass data generated using a dispersion model that simulated transport of aerosols from a variety of sources to a receptor site. The real data set contained the mass, elemental, and ionic species concentrations of samples obtained in 18 consecutive 12-h sampling periods in Houston, TX. Some participants performed additional analyses of the Houston filters by X-ray powder diffraction, scanning electron microscopy, or light microscopy. Ten groups analyzed these data sets using a variety of modeling procedures. The results of the modeling exercises were evaluated and structured in a manner that permitted model intercomparisons. The major conclusions and recommendations derived from the intercomparisons were: (1) using aerosol elemental composition data, receptor models can resolve major emission sources, but additional analyses (including light microscopy and X-ray diffraction) significantly increase the number of sources that can be resolved; (2) simulated data sets that contain up to 6 dissimilar emission sources need to be generated, so that different receptor models can be adequately compared; (3) source apportionment methods need to be modified to incorporate a means of apportioning such aerosol species as sulfate and nitrate formed from SO 2 and NO, respectively, because current models tend to resolve particles into chemical species rather than to deduce their sources and (4) a source signature library may be required to be compiled for each airshed in order to

2,4-Dinitrophenylhydrazine functionalized sodium dodecyl sulfate-coated magnetite nanoparticles for effective removal of Cd(II) and Ni(II) ions from water samples.

PubMed

Sobhanardakani, Soheil; Zandipak, Raziyeh

2015-07-01

2,4-Dinitrophenylhydrazine immobilized on sodium dodecyl sulfate (SDS)-coated magnetite and was used for removal of Cd(II) and Ni(II) ions from aqueous solution. The prepared product was characterized by X-ray diffraction (XRD) analysis, Fourier transform infrared spectroscopy (FT-IR), and scanning electron microscopy (SEM). The size of the nanoparticles according to SEM was obtained around 20-35 nm. In batch tests, the effects of pH, contact time, initial metal concentration, and temperature were studied. The kinetic and equilibrium data were modeled with recently developed models. The adsorption kinetics and isotherms were well fitted by the fractal-like pseudo-second-order model and Langmuir-Freundlich model, respectively. Maximum adsorption capacity by this adsorbent is 255.1 mg g(-1) for Cd(II) ion and 319.6 mg g(-1) for Ni(II) ion at pH 7.0 and 25 °C. The method was successfully applied to the removal of metal cations in real samples (tap water, river water, and petrochemical wastewater).

Comparison on the Surface Structure Properties along with Fe(II) and Mn(II) Removal Characteristics of Rice Husk Ash, Inactive Saccharomyces cerevisiae Powder, and Rice Husk

PubMed Central

Jiang, Zhao; Cao, Bo; Su, Guangxia; Lu, Yan; Zhao, Jiaying; Shan, Dexin; Zhang, Xiuyuan; Wang, Ziyi

2016-01-01

This study selected solid wastes, such as rice husk ash (RHA), inactive Saccharomyces cerevisiae powder (ISP), and rice husk (RH), as the potential adsorbents for the removal of Fe(II) and Mn(II) in aqueous solution. The structural characteristics, functional groups, and elemental compositions were determined by scanning electron microscope (SEM) and Fourier translation infrared spectrum (FT-IR) analyses, respectively. Then the influence on the Fe(II) and Mn(II) removing efficiency by the factors, such as pH, adsorbent dosage, initial Fe(II) and Mn(II) concentration, and contact time, was investigated by the static batch test. The adsorption isotherm study results show that Langmuir equation can better fit the Fe(II) and Mn(II) adsorption process by the three adsorbents. The maximum adsorption amounts for Fe(II) were 6.211 mg/g, 4.464 mg/g, and 4.049 mg/g by RHA, ISP, and RH and for Mn(II) were 3.016 mg/g, 2.229 mg/g, and 1.889 mg/g, respectively. The adsorption kinetics results show that the pseudo-second-order kinetic model can better fit the Fe(II) and Mn(II) adsorption process. D-R model and thermodynamic parameters hint that the adsorption processes of Fe(II) and Mn(II) on the three adsorbents took place physically and the processes were feasible, spontaneous, and exothermic. PMID:28042571

Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II.

PubMed

Sproviero, Eduardo M; Gascón, José A; McEvoy, James P; Brudvig, Gary W; Batista, Victor S

2007-04-01

The annual production of 260 Gtonnes of oxygen, during the process of photosynthesis, sustains life on earth. Oxygen is produced in the thylakoid membranes of green-plant chloroplasts and the internal membranes of cyanobacteria by photocatalytic water oxidation at the oxygen-evolving complex (OEC) of photosystem II (PSII). Recent breakthroughs in X-ray crystallography and advances in quantum mechanics/molecular mechanics (QM/MM) hybrid methods have enabled the construction of chemically sensible models of the OEC of PSII. The resulting computational structural models suggest the complete ligation of the catalytic center by amino acid residues, water, hydroxide and chloride, as determined from the intrinsic electronic properties of the oxomanganese core and the perturbational influence of the surrounding protein environment. These structures are found to be consistent with available mechanistic data, and are also compatible with X-ray diffraction models and extended X-ray absorption fine structure measurements. It is therefore conjectured that these OEC models are particularly relevant for the elucidation of the catalytic mechanism of water oxidation.

Generation of the first Autosomal Dominant Osteopetrosis Type II (ADO2) disease models

PubMed Central

Alam, Imranul; Gray, Amie K.; Chu, Kang; Ichikawa, Shoji; Mohammad, Khalid S.; Capannolo, Marta; Capulli, Mattia; Maurizi, Antonio; Muraca, Maurizio; Teti, Anna; Econs, Michael J.; Fattore, Andrea Del

2013-01-01

Autosomal Dominant Osteopetrosis Type II (ADO2) is a heritable osteosclerotic disorder dependent on osteoclast impairment. In most patients it results from heterozygous missense mutations in the chloride channel 7 (CLCN7) gene, encoding for a 2Cl−/1H+ antiporter. By a knock-in strategy inserting a missense mutation in the Clcn7 gene, our two research groups independently generated mouse models of ADO2 on different genetic backgrounds carrying the homolog of the most frequent heterozygous mutation (p.G213R) in the Clcn7 gene found in humans. Our results demonstrate that the heterozygous model holds true presenting with higher bone mass, increased numbers of poorly resorbing osteoclasts and a lethal phenotype in the homozygous state. Considerable variability is observed in the heterozygous mice according with the mouse background, suggesting that modifier genes could influence the penetrance of the disease gene. PMID:24185277

Emission-line diagnostics of nearby H II regions including interacting binary populations

NASA Astrophysics Data System (ADS)

Xiao, Lin; Stanway, Elizabeth R.; Eldridge, J. J.

2018-06-01

We present numerical models of the nebular emission from H II regions around young stellar populations over a range of compositions and ages. The synthetic stellar populations include both single stars and interacting binary stars. We compare these models to the observed emission lines of 254 H II regions of 13 nearby spiral galaxies and 21 dwarf galaxies drawn from archival data. The models are created using the combination of the BPASS (Binary Population and Spectral Synthesis) code with the photoionization code CLOUDY to study the differences caused by the inclusion of interacting binary stars in the stellar population. We obtain agreement with the observed emission line ratios from the nearby star-forming regions and discuss the effect of binary-star evolution pathways on the nebular ionization of H II regions. We find that at population ages above 10 Myr, single-star models rapidly decrease in flux and ionization strength, while binary-star models still produce strong flux and high [O III]/H β ratios. Our models can reproduce the metallicity of H II regions from spiral galaxies, but we find higher metallicities than previously estimated for the H II regions from dwarf galaxies. Comparing the equivalent width of H β emission between models and observations, we find that accounting for ionizing photon leakage can affect age estimates for H II regions. When it is included, the typical age derived for H II regions is 5 Myr from single-star models, and up to 10 Myr with binary-star models. This is due to the existence of binary-star evolution pathways, which produce more hot Wolf-Rayet and helium stars at older ages. For future reference, we calculate new BPASS binary maximal starburst lines as a function of metallicity, and for the total model population, and present these in Appendix A.

Synthesis, characterization and in vitro antimicrobial studies of Co(II), Ni(II) and Cu(II) complexes derived from macrocyclic compartmental ligand

NASA Astrophysics Data System (ADS)

El-Gammal, O. A.; Bekheit, M. M.; El-Brashy, S. A.

2015-02-01

New Co(II), Ni(II) and Cu(II) complexes derived from tetradentate macrocyclic nitrogen ligand, (1E,4E,8E,12E)-5,8,13,16-tetramethyl-1,4,9,12-tetrazacyclohexadeca-4,8,12,16-tetraene (EDHDH) have been synthesized. The complexes have been characterized by elemental analysis, spectral (IR, UV-Vis, 1H NMR and ESR (for Cu(II) complex)) mass, and magnetic as well as thermal analysis measurements. The complexes afforded the formulae: [Cu(EDHDH)Cl2]·2EtOH and [M(EDHDH)X2]·nH2O where M = Co(II) and Ni(II), X = Cl- or OH-, n = 1,0, respectively. The data revealed an octahedral arrangement with N4 tetradentate donor sites in addition to two Cl atoms occupying the other two sites. ESR spectrum of Cu2+ complex confirmed the suggested geometry with values of a α2and β2 indicating that the in-plane σ-bonding and in-plane π-bonding are appreciably covalent, and are consistent with very strong σ-in-plane bonding in the complexes. The molecular modeling is drawn and showed the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all the title compounds using DFT method. Also, the thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. Moreover, the in vitro antibacterial studies of all compounds screened against pathogenic bacteria (two Gram +ve and two Gram -ve) to assess their inhibiting potential. The assay indicated that the inhibition potential is metal ion dependent. The ligand, EDHDH, Co(II) and Cu(II) complexes exhibited a remarkable antibacterial activity against Streptococcus Pyogenes as Gram +ve and Proteus vulgaris as Gram -ve bacterial strains. On the other hand, Ni(II) complex revealed a moderate antibacterial activity against both Gram +ve organisms and no activity against Gram -ve bacterial strain.

Structural Determination of a Transcribing RNA Polymerase II Complex

DTIC Science & Technology

2000-05-01

A be extended and evaluated by the solution of pol II cocrystal structures, with the use of the pol II model for molecular replacement. Co- crystals...with TFIIB and TFIIE (78) should reveal the trajectory of DNA in the initial pol - II-promoter complex. Cocrystals containing pol II in the act of...transcription (79) will show the locations of nucleic acids in an elongation complex. Cocrystals with TFIIS (80) may indicate the proposed exit pathway

Aerosols at the Poles: An Aerocom Phase II Multi-Model Evaluation

NASA Technical Reports Server (NTRS)

Sand, Maria; Bauer, Susanne E.; Samset, Bjorn H.; Balkanski, Yves; Bellouin, Nicolas; Berntsen, Terje K.; Bian, Huisheng; Chin, Mian; Diehl, Thomas; Easter, Richard;

Removal of Cd(II) and Pb(II) from aqueous solution using dried water hyacinth as a biosorbent

NASA Astrophysics Data System (ADS)

Ibrahim, Hanan S.; Ammar, Nabila S.; Soylak, Mustafa; Ibrahim, Medhat

2012-10-01

Possible usages of dried water hyacinth as biosorbent for metal ions were investigated. A model describing the plant is presented on density functional theory DFT and verified experimentally with FTIR. The model shows that water hyacinth is a mixture of cellulose and lignin. Dried shoot and root were found as good sorbent for Cd(II) and Pb(II) at optimum dosage of 5.0 g/l and pH 5.0; equilibrium time was attained within 30-60 min. The removal using root and shoot were nearly equal and reached more than 75% for Cd and more than 90% for Pb. Finally the second-order kinetics was the applicable model. Hydrogen bonds of reactive functional groups like COOH play the key role in the removal process.

Aldosterone response to angiotensin II during hypoxemia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colice, G.L.; Ramirez, G.

1986-07-01

Exercise stimulates the renin-angiotensin-aldosterone system (RAAS). However, increases in plasma aldosterone concentrations (PAC) are suppressed when exercise is performed at high altitude or under hypoxemic conditions. As the angiotensin-II response to high-altitude exercise is normal, it is speculated that an inhibitor, discharged during hypoxemia, acted to suppress angiotensin-II-mediated aldosterone release. A study was conducted to test this hypothesis, taking into account the measurement of the aldosterone response to exogenous angiotensin II during normoxemia and hypoxemia. It was found that the dose-response curve of PAC to angiotensin II was not significantly inhibited by the considered model of hypoxemia. The hypoxemia-mediated releasemore » of an angiotensin II inhibitor does, therefore, not explain the previous observations of PAC suppression during hypoxemic exercise. 28 references.« less

Ammunition Resupply Model. Volume II. Programmers Manual.

DTIC Science & Technology

1980-03-01

pointer tables. If the placement is successful the flag ( ICHECK ) is set equal to 1. COMMON BLOCKS: EVENTS CALLS: NONE IS CALLED BY: SCHED CALLING PARAMETERS...decimal portion of the event time multiplied by 3600. ICHECK - 0 if no room on the file, I if there is room on the file. LOCAL ARRAYS: JFORE (1024...8217EVT, ITH, I-IS, !CHECK) C PUTEVT PLACES AN EVENT RECORD IN -THE QUEUE IN CHRONOLOGICAL C ORDER A,1D UPDATES THE QUEUE DIRECTORY. ICHECK FLAG SET C IF

A Test of Three Basic Assumptions of Situational Leadership® II Model and Their Implications for HRD Practitioners

ERIC Educational Resources Information Center

Zigarmi, Drea; Roberts, Taylor Peyton

2017-01-01

Purpose: This study aims to test the following three assertions underlying the Situational Leadership® II (SLII) Model: all four leadership styles are received by followers; all four leadership styles are needed by followers; and if there is a fit between the leadership style a follower receives and needs, that follower will demonstrate favorable…

Ensemble and Bias-Correction Techniques for Air-Quality Model Forecasts of Surface O3 and PM2.5 during the TEXAQS-II Experiment of 2006

EPA Science Inventory

Several air quality forecasting ensembles were created from seven models, running in real-time during the 2006 Texas Air Quality (TEXAQS-II) experiment. These multi-model ensembles incorporated a diverse set of meteorological models, chemical mechanisms, and emission inventories...

Curcumin modulates the effect of histone modification on the expression of chemokines by type II alveolar epithelial cells in a rat COPD model.

PubMed

Gan, Lixing; Li, Chengye; Wang, Jian; Guo, Xuejun

2016-01-01

Studies have suggested that histone modification has a positive impact on various aspects associated with the progression of COPD. Histone deacetylase 2 (HDAC2) suppresses proinflammatory gene expression through deacetylation of core histones. To investigate the effect of histone modification on the expression of chemokines in type II alveolar epithelial cells (AEC II) in a rat COPD model and regulation of HDAC2 expression by curcumin in comparison with corticosteroid. The rat COPD model was established by cigarette smoke exposure and confirmed by histology and pathophysioloy. AEC II were isolated and cultured in vitro from the COPD models and control animals. The cells were treated with curcumin, corticosteroid, or trichostatin A, and messenger RNA (mRNA) expression of interleukin-8 (IL-8), monocyte chemoattractant protein-1 (MCP-1), and macrophage inflammatory protein-2α (MIP-2α) was assessed by quantitative real-time polymerase chain reaction (RT-PCR). The expression of HDAC2 was measured by Western blot. Chromatin immunoprecipitation was used to detect H3/H4 acetylation and H3K9 methylation in the promoter region of three kinds of chemokine genes (IL-8, MCP-1, and MIP-2α). Compared to the control group, the mRNAs of MCP-1, IL-8, and MIP-2α were upregulated 4.48-fold, 3.14-fold, and 2.83-fold, respectively, in the AEC II from COPD model. The protein expression of HDAC2 in the AEC II from COPD model was significantly lower than from the control group ( P <0.05). The decreased expression of HDAC2 was negatively correlated with the increased expression of IL-8, MCP-1, and MIP-2α mRNAs (all P <0.05). The level of H3/H4 acetylation was higher but H3K9 methylation in the promoter region of chemokine genes was lower in the cells from COPD model than from the control group (all P <0.05). Curcumin downregulated the expression of MCP-1, IL-8, and MIP-2α, and the expression was further enhanced in the presence of corticosteroid. Moreover, curcumin restored HDAC2

Modeling ultrasonic compression wave absorption during the seeded crystallization of copper (II) sulphate pentahydrate from aqueous solution.

PubMed

Marshall, Thomas; Challis, Richard E; Holmes, Andrew K; Tebbutt, John S

2002-11-01

Ultrasonic compression wave absorption is investigated as a means to monitor the seeded crystallization of copper (II) sulphate pentahydrate from aqueous solution. Simple models are applied to predict crystal yield, crystal size distribution, and the changing nature of the continuous phase. The Allegra-Hawley scattering formulation is used to simulate ultrasonic absorption as crystallization proceeds. Experiments confirm that simulated attenuation is in agreement with measured results.

Theoretical modeling of the electronic structure and exchange interactions in Cu(II)Pc

NASA Astrophysics Data System (ADS)

Wu, Wei; Fisher, A. J.; Harrison, N. M.; Wang, Hai; Wu, Zhenlin; Gardener, Jules; Heutz, Sandrine; Jones, Tim; Aeppli, Gabriel

2012-12-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine (Cu(II)Pc) crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green's function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α- and β-phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

Bioinformatic Analysis of Plasma Apolipoproteins A-I and A-II Revealed Unique Features of A-I/A-II HDL Particles in Human Plasma

PubMed Central

Kido, Toshimi; Kurata, Hideaki; Kondo, Kazuo; Itakura, Hiroshige; Okazaki, Mitsuyo; Urata, Takeyoshi; Yokoyama, Shinji

2016-01-01

Plasma concentration of apoA-I, apoA-II and apoA-II-unassociated apoA-I was analyzed in 314 Japanese subjects (177 males and 137 females), including one (male) homozygote and 37 (20 males and 17 females) heterozygotes of genetic CETP deficiency. ApoA-I unassociated with apoA-II markedly and linearly increased with HDL-cholesterol, while apoA-II increased only very slightly and the ratio of apoA-II-associated apoA-I to apoA-II stayed constant at 2 in molar ratio throughout the increase of HDL-cholesterol, among the wild type and heterozygous CETP deficiency. Thus, overall HDL concentration almost exclusively depends on HDL with apoA-I without apoA-II (LpAI) while concentration of HDL containing apoA-I and apoA-II (LpAI:AII) is constant having a fixed molar ratio of 2 : 1 regardless of total HDL and apoA-I concentration. Distribution of apoA-I between LpAI and LpAI:AII is consistent with a model of statistical partitioning regardless of sex and CETP genotype. The analysis also indicated that LpA-I accommodates on average 4 apoA-I molecules and has a clearance rate indistinguishable from LpAI:AII. Independent evidence indicated LpAI:A-II has a diameter 20% smaller than LpAI, consistent with a model having two apoA-I and one apoA-II. The functional contribution of these particles is to be investigated. PMID:27526664

Average [O II] nebular emission associated with Mg II absorbers: dependence on Fe II absorption

NASA Astrophysics Data System (ADS)

Joshi, Ravi; Srianand, Raghunathan; Petitjean, Patrick; Noterdaeme, Pasquier

2018-05-01

We investigate the effect of Fe II equivalent width (W2600) and fibre size on the average luminosity of [O II] λλ3727, 3729 nebular emission associated with Mg II absorbers (at 0.55 ≤ z ≤ 1.3) in the composite spectra of quasars obtained with 3 and 2 arcsec fibres in the Sloan Digital Sky Survey. We confirm the presence of strong correlations between [O II] luminosity (L_{[O II]}) and equivalent width (W2796) and redshift of Mg II absorbers. However, we show L_{[O II]} and average luminosity surface density suffer from fibre size effects. More importantly, for a given fibre size, the average L_{[O II]} strongly depends on the equivalent width of Fe II absorption lines and found to be higher for Mg II absorbers with R ≡W2600/W2796 ≥ 0.5. In fact, we show the observed strong correlations of L_{[O II]} with W2796 and z of Mg II absorbers are mainly driven by such systems. Direct [O II] detections also confirm the link between L_{[O II]} and R. Therefore, one has to pay attention to the fibre losses and dependence of redshift evolution of Mg II absorbers on W2600 before using them as a luminosity unbiased probe of global star formation rate density. We show that the [O II] nebular emission detected in the stacked spectrum is not dominated by few direct detections (i.e. detections ≥3σ significant level). On an average, the systems with R ≥ 0.5 and W2796 ≥ 2 Å are more reddened, showing colour excess E(B - V) ˜ 0.02, with respect to the systems with R < 0.5 and most likely trace the high H I column density systems.

Multiscale model of light harvesting by photosystem II in plants

DOE PAGES

Amarnath, Kapil; Bennett, Doran I. G.; Schneider, Anna R.; ...

2016-01-19

The first step of photosynthesis in plants is the absorption of sunlight by pigments in the antenna complexes of photosystem II (PSII), followed by transfer of the nascent excitation energy to the reaction centers, where long-term storage as chemical energy is initiated. Quantum mechanical mechanisms must be invoked to explain the transport of excitation within individual antenna. However, it is unclear how these mechanisms influence transfer across assemblies of antenna and thus the photochemical yield at reaction centers in the functional thylakoid membrane. In this paper, we model light harvesting at the several-hundred-nanometer scale of the PSII membrane, while preservingmore » the dominant quantum effects previously observed in individual complexes. We show that excitation moves diffusively through the antenna with a diffusion length of 50 nm until it reaches a reaction center, where charge separation serves as an energetic trap. The diffusion length is a single parameter that incorporates the enhancing effect of excited state delocalization on individual rates of energy transfer as well as the complex kinetics that arise due to energy transfer and loss by decay to the ground state. The diffusion length determines PSII’s high quantum efficiency in ideal conditions, as well as how it is altered by the membrane morphology and the closure of reaction centers. Finally, we anticipate that the model will be useful in resolving the nonphotochemical quenching mechanisms that PSII employs in conditions of high light stress.« less

In Situ Monitoring and Modeling of the Solution-Mediated Polymorphic Transformation of Rifampicin: From Form II to Form I.

PubMed

Guo, Nannan; Hou, Baohong; Wang, Na; Xiao, Yan; Huang, Jingjing; Guo, Yanmei; Zong, Shuyi; Hao, Hongxun

2018-01-01

In this article, the solution-mediated polymorphic transformation of rifampicin was investigated and simulated in 3 solvents at 30°C. The solid-state form I and form II of rifampicin was characterized by powder X-ray diffraction, scanning electron microscopy, thermogravimetric analysis, Raman spectroscopy, and Fourier transform infrared spectroscopy (FTIR). To explore the relative stability, solubility data of form I and form II of rifampicin in butan-1-ol were determined using a dynamical method. In addition, Raman spectroscopy and focused beam reflectance measurement were used to in situ monitor the transformation of rifampicin from form II to form I. The liquid state concentration of rifampicin was measured by UV spectroscopic method. To investigate the effect of solvent on transformation, the transformation experiments were carried out in 3 solvents. Furthermore, a mathematical model was built to describe the kinetics of dissolution, nucleation, and growth processes during transformation by using experimental data. By combination of experimental and simulation results, it was found that the transformation process of rifampicin is controlled by dissolution of form II in heptane, whereas the transformation in hexane and octane was firstly controlled by dissolution of solid-state form and then controlled by growth of form I. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Neuroprotective Effects and Mechanisms of Curcumin-Cu(II) and -Zn(II) Complexes Systems and Their Pharmacological Implications.

PubMed

Yan, Fa-Shun; Sun, Jian-Long; Xie, Wen-Hai; Shen, Liang; Ji, Hong-Fang

2017-12-28

Alzheimer's disease (AD) is the main form of dementia and has a steadily increasing prevalence. As both oxidative stress and metal homeostasis are involved in the pathogenesis of AD, it would be interesting to develop a dual function agent, targeting the two factors. Curcumin, a natural compound isolated from the rhizome of Curcuma longa , is an antioxidant and can also chelate metal ions. Whether the complexes of curcumin with metal ions possess neuroprotective effects has not been evaluated. Therefore, the present study was designed to investigate the protective effects of the complexes of curcumin with Cu(II) or Zn(II) on hydrogen peroxide (H₂O₂)-induced injury and the underlying molecular mechanisms. The use of rat pheochromocytoma (PC12) cells, a widely used neuronal cell model system, was adopted. It was revealed that curcumin-Cu(II) complexes systems possessed enhanced O₂ ·- -scavenging activities compared to unchelated curcumin. In comparison with unchelated curcumin, the protective effects of curcumin-Cu(II) complexes systems were stronger than curcumin-Zn(II) system. Curcumin-Cu(II) or -Zn(II) complexes systems significantly enhanced the superoxide dismutase, catalase, and glutathione peroxidase activities and attenuated the increase of malondialdehyde levels and caspase-3 and caspase-9 activities, in a dose-dependent manner. The curcumin-Cu(II) complex system with a 2:1 ratio exhibited the most significant effect. Further mechanistic study demonstrated that curcumin-Cu(II) or -Zn(II) complexes systems inhibited cell apoptosis via downregulating the nuclear factor κB (NF-κB) pathway and upregulating Bcl-2/Bax pathway. In summary, the present study found that curcumin-Cu(II) or -Zn(II) complexes systems, especially the former, possess significant neuroprotective effects, which indicates the potential advantage of curcumin as a promising agent against AD and deserves further study.

Experimental type II diabetes and related models of impaired glucose metabolism differentially regulate glucose transporters at the proximal tubule brush border membrane.

PubMed

Chichger, Havovi; Cleasby, Mark E; Srai, Surjit K; Unwin, Robert J; Debnam, Edward S; Marks, Joanne

2016-06-01

What is the central question of this study? Although SGLT2 inhibitors represent a promising treatment for patients suffering from diabetic nephropathy, the influence of metabolic disruption on the expression and function of glucose transporters is largely unknown. What is the main finding and its importance? In vivo models of metabolic disruption (Goto-Kakizaki type II diabetic rat and junk-food diet) demonstrate increased expression of SGLT1, SGLT2 and GLUT2 in the proximal tubule brush border. In the type II diabetic model, this is accompanied by increased SGLT- and GLUT-mediated glucose uptake. A fasted model of metabolic disruption (high-fat diet) demonstrated increased GLUT2 expression only. The differential alterations of glucose transporters in response to varying metabolic stress offer insight into the therapeutic value of inhibitors. SGLT2 inhibitors are now in clinical use to reduce hyperglycaemia in type II diabetes. However, renal glucose reabsorption across the brush border membrane (BBM) is not completely understood in diabetes. Increased consumption of a Western diet is strongly linked to type II diabetes. This study aimed to investigate the adaptations that occur in renal glucose transporters in response to experimental models of diet-induced insulin resistance. The study used Goto-Kakizaki type II diabetic rats and normal rats rendered insulin resistant using junk-food or high-fat diets. Levels of protein kinase C-βI (PKC-βI), GLUT2, SGLT1 and SGLT2 were determined by Western blotting of purified renal BBM. GLUT- and SGLT-mediated d-[(3) H]glucose uptake by BBM vesicles was measured in the presence and absence of the SGLT inhibitor phlorizin. GLUT- and SGLT-mediated glucose transport was elevated in type II diabetic rats, accompanied by increased expression of GLUT2, its upstream regulator PKC-βI and SGLT1 protein. Junk-food and high-fat diet feeding also caused higher membrane expression of GLUT2 and its upstream regulator PKC

Macrocyclic receptor showing extremely high Sr(II)/Ca(II) and Pb(II)/Ca(II) selectivities with potential application in chelation treatment of metal intoxication.

PubMed

Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Tóth, Éva; de Blas, Andrés; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa

2011-04-18

Herein we report a detailed investigation of the complexation properties of the macrocyclic decadentate receptor N,N'-Bis[(6-carboxy-2-pyridil)methyl]-4,13-diaza-18-crown-6 (H(2)bp18c6) toward different divalent metal ions [Zn(II), Cd(II), Pb(II), Sr(II), and Ca(II)] in aqueous solution. We have found that this ligand is especially suited for the complexation of large metal ions such as Sr(II) and Pb(II), which results in very high Pb(II)/Ca(II) and Pb(II)/Zn(II) selectivities (in fact, higher than those found for ligands widely used for the treatment of lead poisoning such as ethylenediaminetetraacetic acid (edta)), as well as in the highest Sr(II)/Ca(II) selectivity reported so far. These results have been rationalized on the basis of the structure of the complexes. X-ray crystal diffraction, (1)H and (13)C NMR spectroscopy, as well as theoretical calculations at the density functional theory (B3LYP) level have been performed. Our results indicate that for large metal ions such as Pb(II) and Sr(II) the most stable conformation is Δ(δλδ)(δλδ), while for Ca(II) our calculations predict the Δ(λδλ)(λδλ) form being the most stable one. The selectivity that bp18c6(2-) shows for Sr(II) over Ca(II) can be attributed to a better fit between the large Sr(II) ions and the relatively large crown fragment of the ligand. The X-ray crystal structure of the Pb(II) complex shows that the Δ(δλδ)(δλδ) conformation observed in solution is also maintained in the solid state. The Pb(II) ion is endocyclically coordinated, being directly bound to the 10 donor atoms of the ligand. The bond distances to the donor atoms of the pendant arms (2.55-2.60 Å) are substantially shorter than those between the metal ion and the donor atoms of the crown moiety (2.92-3.04 Å). This is a typical situation observed for the so-called hemidirected compounds, in which the Pb(II) lone pair is stereochemically active. The X-ray structures of the Zn(II) and Cd(II) complexes show that

The host dark matter haloes of [O II] emitters at 0.5 < z < 1.5

NASA Astrophysics Data System (ADS)

Gonzalez-Perez, V.; Comparat, J.; Norberg, P.; Baugh, C. M.; Contreras, S.; Lacey, C.; McCullagh, N.; Orsi, A.; Helly, J.; Humphries, J.

2018-03-01

Emission line galaxies (ELGs) are used in several ongoing and upcoming surveys (SDSS-IV/eBOSS, DESI) as tracers of the dark matter distribution. Using a new galaxy formation model, we explore the characteristics of [O II] emitters, which dominate optical ELG selections at z ≃ 1. Model [O II] emitters at 0.5 < z < 1.5 are selected to mimic the DEEP2, VVDS, eBOSS and DESI surveys. The luminosity functions of model [O II] emitters are in reasonable agreement with observations. The selected [O II] emitters are hosted by haloes with Mhalo ≥ 1010.3h-1M⊙, with ˜90 per cent of them being central star-forming galaxies. The predicted mean halo occupation distributions of [O II] emitters have a shape typical of that inferred for star-forming galaxies, with the contribution from central galaxies, < N > _{[O II] cen}, being far from the canonical step function. The < N > _{[O II] cen}} can be described as the sum of an asymmetric Gaussian for discs and a step function for spheroids, which plateau below unity. The model [O II] emitters have a clustering bias close to unity, which is below the expectations for eBOSS and DESI ELGs. At z ˜ 1, a comparison with observed g-band-selected galaxy, which is expected to be dominated by [O II] emitters, indicates that our model produces too few [O II] emitters that are satellite galaxies. This suggests the need to revise our modelling of hot gas stripping in satellite galaxies.

Dynamical behavior of a rumor transmission model with Holling-type II functional response in emergency event

NASA Astrophysics Data System (ADS)

Huo, Liang'an; Jiang, Jiehui; Gong, Sixing; He, Bing

2016-05-01

Rumor transmission has become an important issue in emergency event. In this paper, a rumor transmission model with Holling-type II functional response was proposed, which provides excellent explanations of the scientific knowledge effect with rumor spreading. By a global analysis of the model and studying the stability of the rumor-free equilibrium and the rumor-endemic equilibrium, we found that the number of infective individuals equal to zero or positive integer as time went on. A numerical simulation is carried out to illustrate the feasibility of our main results. The results will provide the theoretical support to rumor control in emergency event and also provide decision makers references for the public opinions management.

Structural, spectroscopic and thermal characterization of 2-tert-butylaminomethylpyridine-6-carboxylic acid methylester and its Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and UO(2)(II) complexes.

PubMed

Mohamed, Gehad G; El-Gamel, Nadia E A

2005-04-01

Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and UO(2)(II) complexes with the ligand 2-tert-butylaminomethylpyridine-6-carboxylic acid methylester (HL(2)) have been prepared and characterized by elemental analyses, molar conductance, magnetic moment, thermal analysis and spectral data. 1:1 M:HL(2) complexes, with the general formula [M(HL(2))X(2)].nH(2)O (where M = Co(II) (X = Cl, n = 0), Ni(II) (X = Cl, n = 3), Cu(II) (grey colour, X = AcO, n = 1), Cu(II) (yellow colour, X = Cl, n = 0) and Zn(II) (X = Br, n = 0). In addition, the Fe(III) and UO(2)(II) complexes of the type 1:2 M:HL(2) and with the formulae [Fe(L(2))(2)]Cl and [UO(2)(HL(2))(2)](NO(3))(2) are prepared. From the IR data, it is seen that HL(2) ligand behaves as a terdentate ligand coordinated to the metal ions via the pyridyl N, carboxylate O and protonated NH group; except the Fe(III) complex, it coordinates via the deprotonated NH group. This is supported by the molar conductance data, which show that all the complexes are non-electrolytes, while the Fe(III) and UO(2)(II) complexes are 1:1 electrolytes. IR and H1-NMR spectral studies suggest a similar behaviour of the Zn(II) complex in solid and solution states. From the solid reflectance spectral data and magnetic moment measurements, the complexes have a trigonal bipyramidal (Co(II), Ni(II), Cu(II) and Zn(II) complexes) and octahedral (Fe(III), UO(2)(II) complexes) geometrical structures. The thermal behaviour of the complexes is studied and the different dynamic parameters are calculated applying Coats-Redfern equation.

Synthesis, characterization and physicochemical studies of new chelating resin 1, 8-(3, 6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes

NASA Astrophysics Data System (ADS)

Khalil, Tarek E.; Elbadawy, Hemmat A.; El-Dissouky, Ali

2018-02-01

A new chelating resin, 1,8-(3,6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) has been synthesized by coupling Amberlite XAD-16 with (2,2‧-ethylenedithio) diethanol using pyridine/CH2Cl2 mixture as a solvent. The chelating resin and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes have been synthesized and characterized by EDS, SEM, XPS, elemental analysis, spectral (IR, UV/Vis, EPR). The thermal analysis of the resin and its metallopolymer complexes indicated an endothermic spontaneous sorption mechanism with the liberation of water of hydration of the metal ions and that adsorbed by the free resin. At the solid liquid interface, the degrees of freedom increased during the sorption of the metal ions onto the resin. The surface area of polymer support and its metallopolymer complexes are estimated by (BJH) method. The batch equilibrium method was used for studying the metal sorption and selectivity at different pH values and different contact times at room temperature. ICP-AES was used to estimate the metal capacity of the resin for sorption of Cu(II), Ni(II), Co(II) and Fe(III) from aqueous solutions utilizing the batch equilibrium method. The sorption tendency of the metal ions by the resin was found to be: Cu(II) > Fe(III) > Co(II) > Ni(II). Adsorption kinetics was found to be fit the pseudo-second order model.

Toward a Network Model of MHC Class II-Restricted Antigen Processing

PubMed Central

Miller, Michael A.; Ganesan, Asha Purnima V.; Eisenlohr, Laurence C.

2013-01-01

The standard model of Major Histocompatibility Complex class II (MHCII)-restricted antigen processing depicts a straightforward, linear pathway: internalized antigens are converted into peptides that load in a chaperone dependent manner onto nascent MHCII in the late endosome, the complexes subsequently trafficking to the cell surface for recognition by CD4+ T cells (TCD4+). Several variations on this theme, both moderate and radical, have come to light but these alternatives have remained peripheral, the conventional pathway generally presumed to be the primary driver of TCD4+ responses. Here we continue to press for the conceptual repositioning of these alternatives toward the center while proposing that MHCII processing be thought of less in terms of discrete pathways and more in terms of a network whose major and minor conduits are variable depending upon many factors, including the epitope, the nature of the antigen, the source of the antigen, and the identity of the antigen-presenting cell. PMID:24379819

Testing the Predictive Validity of the Hendrich II Fall Risk Model.

PubMed

Jung, Hyesil; Park, Hyeoun-Ae

2018-03-01

Cumulative data on patient fall risk have been compiled in electronic medical records systems, and it is possible to test the validity of fall-risk assessment tools using these data between the times of admission and occurrence of a fall. The Hendrich II Fall Risk Model scores assessed during three time points of hospital stays were extracted and used for testing the predictive validity: (a) upon admission, (b) when the maximum fall-risk score from admission to falling or discharge, and (c) immediately before falling or discharge. Predictive validity was examined using seven predictive indicators. In addition, logistic regression analysis was used to identify factors that significantly affect the occurrence of a fall. Among the different time points, the maximum fall-risk score assessed between admission and falling or discharge showed the best predictive performance. Confusion or disorientation and having a poor ability to rise from a sitting position were significant risk factors for a fall.

Blooms' separation of the final exam of Engineering Mathematics II: Item reliability using Rasch measurement model

NASA Astrophysics Data System (ADS)

Fuaad, Norain Farhana Ahmad; Nopiah, Zulkifli Mohd; Tawil, Norgainy Mohd; Othman, Haliza; Asshaari, Izamarlina; Osman, Mohd Hanif; Ismail, Nur Arzilah

2014-06-01

In engineering studies and researches, Mathematics is one of the main elements which express physical, chemical and engineering laws. Therefore, it is essential for engineering students to have a strong knowledge in the fundamental of mathematics in order to apply the knowledge to real life issues. However, based on the previous results of Mathematics Pre-Test, it shows that the engineering students lack the fundamental knowledge in certain topics in mathematics. Due to this, apart from making improvements in the methods of teaching and learning, studies on the construction of questions (items) should also be emphasized. The purpose of this study is to assist lecturers in the process of item development and to monitor the separation of items based on Blooms' Taxonomy and to measure the reliability of the items itself usingRasch Measurement Model as a tool. By using Rasch Measurement Model, the final exam questions of Engineering Mathematics II (Linear Algebra) for semester 2 sessions 2012/2013 were analysed and the results will provide the details onthe extent to which the content of the item providesuseful information about students' ability. This study reveals that the items used in Engineering Mathematics II (Linear Algebra) final exam are well constructed but the separation of the items raises concern as it is argued that it needs further attention, as there is abig gap between items at several levels of Blooms' cognitive skill.

Decays of bottom mesons emitting tensor mesons in the final state using the Isgur-Scora-Grinstein-Wise II model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Neelesh; Verma, R. C.; Dhir, Rohit

2011-01-01

In this paper, we investigate phenomenologically two-body weak decays of the bottom mesons emitting pseudoscalar/vector meson and a tensor meson. Form factors are obtained using the improved Isgur-Scora-Grinstein-Wise II model. Consequently, branching ratios for the Cabibbo-Kobayashi-Maskawa-favored and Cabibbo-Kobayashi-Maskawa-suppressed decays are calculated.

Solid Phase Extraction of Trace Al(III), Fe(II), Co(II), Cu(II), Cd(II) and Pb(II) Ions in Beverages on Functionalized Polymer Microspheres Prior to Flame Atomic Absorption Spectrometric Determinations.

PubMed

Berber, Hale; Alpdogan, Güzin

2017-01-01

In this study, poly(glycidyl methacrylate-methyl methacrylate-divinylbenzene) was synthesized in the form of microspheres, and then functionalized by 2-aminobenzothiazole ligand. The sorption properties of these functionalized microspheres were investigated for separation, preconcentration and determination of Al(III), Fe(II), Co(II), Cu(II), Cd(II) and Pb(II) ions using flame atomic absorption spectrometry. The optimum pH values for quantitative sorption were 2 - 4, 5 - 8, 6 - 8, 4 - 6, 2 - 6 and 2 - 3 for Al(III), Fe(II), Co(II), Cu(II), Cd(II) and Pb(II), respectively, and also the highest sorption capacity of the functionalized microspheres was found to be for Cu(II) with the value of 1.87 mmol g -1 . The detection limits (3σ; N = 6) obtained for the studied metals in the optimal conditions were observed in the range of 0.26 - 2.20 μg L -1 . The proposed method was successfully applied to different beverage samples for the determination of Al(III), Fe(II), Co(II), Cu(II), Cd(II) and Pb(II) ions, with the relative standard deviation of <3.7%.

High removal efficacy of Hg(II) and MeHg(II) ions from aqueous solution by organoalkoxysilane-grafted lignocellulosic waste biomass.

PubMed

Saman, Norasikin; Johari, Khairiraihanna; Song, Shiow-Tien; Kong, Helen; Cheu, Siew-Chin; Mat, Hanapi

2017-03-01

An effective organoalkoxysilanes-grafted lignocellulosic waste biomass (OS-LWB) adsorbent aiming for high removal towards inorganic and organic mercury (Hg(II) and MeHg(II)) ions was prepared. Organoalkoxysilanes (OS) namely mercaptoproyltriethoxylsilane (MPTES), aminopropyltriethoxylsilane (APTES), aminoethylaminopropyltriethoxylsilane (AEPTES), bis(triethoxysilylpropyl) tetrasulfide (BTESPT), methacrylopropyltrimethoxylsilane (MPS) and ureidopropyltriethoxylsilane (URS) were grafted onto the LWB using the same conditions. The MPTES grafted lignocellulosic waste biomass (MPTES-LWB) showed the highest adsorption capacity towards both mercury ions. The adsorption behavior of inorganic and organic mercury ions (Hg(II) and MeHg(II)) in batch adsorption studies shows that it was independent with pH of the solutions and dependent on initial concentration, temperature and contact time. The maximum adsorption capacity of Hg(II) was greater than MeHg(II) which respectively followed the Temkin and Langmuir models. The kinetic data analysis showed that the adsorptions of Hg(II) and MeHg(II) onto MPTES-LWB were respectively controlled by the physical process of film diffusion and the chemical process of physisorption interactions. The overall mechanism of Hg(II) and MeHg(II) adsorption was a combination of diffusion and chemical interaction mechanisms. Regeneration results were very encouraging especially for the Hg(II); this therefore further demonstrated the potential application of organosilane-grafted lignocellulosic waste biomass as low-cost adsorbents for mercury removal process. Copyright © 2016 Elsevier Ltd. All rights reserved.

Bianisotropic-critical-state model to study flux cutting in type-II superconductors at parallel geometry

NASA Astrophysics Data System (ADS)

Romero-Salazar, C.

2016-04-01

A critical-state model is postulated that incorporates, for the first time, the structural anisotropy and flux-line cutting effect in a type-II superconductor. The model is constructed starting from the theoretical scheme of Romero-Salazar and Pérez-Rodríguez to study the anisotropy induced by flux cutting. Here, numerical calculations of the magnetic induction and static magnetization are presented for samples under an alternating magnetic field, orthogonal to a static dc-bias one. The interplay of the two anisotropies is analysed by comparing the numerical results with available experimental data for an yttrium barium copper oxide (YBCO) plate, and a vanadium-titanium (VTi) strip, subjected to a slowly oscillating field {H}y({H}z) in the presence of a static field {H}z({H}y).

Predictive validity of the Hendrich fall risk model II in an acute geriatric unit.

PubMed

Ivziku, Dhurata; Matarese, Maria; Pedone, Claudio

2011-04-01

Falls are the most common adverse events reported in acute care hospitals, and older patients are the most likely to fall. The risk of falling cannot be completely eliminated, but it can be reduced through the implementation of a fall prevention program. A major evidence-based intervention to prevent falls has been the use of fall-risk assessment tools. Many tools have been increasingly developed in recent years, but most instruments have not been investigated regarding reliability, validity and clinical usefulness. This study intends to evaluate the predictive validity and inter-rater reliability of Hendrich fall risk model II (HFRM II) in order to identify older patients at risk of falling in geriatric units and recommend its use in clinical practice. A prospective descriptive design was used. The study was carried out in a geriatric acute care unit of an Italian University hospital. All over 65 years old patients consecutively admitted to a geriatric acute care unit of an Italian University hospital over 8-month period were enrolled. The patients enrolled were screened for the falls risk by nurses with the HFRM II within 24h of admission. The falls occurring during the patient's hospital stay were registered. Inter-rater reliability, area under the ROC curve, sensitivity, specificity, positive and negative predictive values and time for the administration were evaluated. 179 elderly patients were included. The inter-rater reliability was 0.87 (95% CI 0.71-1.00). The administration time was about 1min. The most frequently reported risk factors were depression, incontinence, vertigo. Sensitivity and specificity were respectively 86% and 43%. The optimal cut-off score for screening at risk patients was 5 with an area under the ROC curve of 0.72. The risk factors more strongly associated with falls were confusion and depression. As falls of older patients are a common problem in acute care settings it is necessary that the nurses use specific validate and reliable

A revisit to model the Cr i triplet at 5204-5208 Å and the Ba ii D2 line at 4554 Å in the Second Solar Spectrum

NASA Astrophysics Data System (ADS)

Smitha, H. N.; Nagendra, K. N.; Stenflo, J. O.; Bianda, M.; Sampoorna, M.; Ramelli, R.

2015-10-01

In our previous attempt to model the Stokes profiles of the Cr i triplet at 5204-5208 Å and the Ba ii D2 at 4554 Å, we found it necessary to slightly modify the standard FAL model atmospheres to fit the observed polarization profiles. In the case of Cr i triplet, this modification was done to reduce the theoretical continuum polarization, and in the case of Ba ii D2, it was needed to reproduce the central peak in Q/I. In this work, we revisit both these cases using different standard model atmospheres whose temperature structures closely resemble those of the modified FAL models, and explore the possibility of synthesizing the line profiles without the need for small modifications of the model atmosphere.

Origin of diffuse C II 158 micron and Si II 35 micron emission in the Carina nebula

NASA Astrophysics Data System (ADS)

Mizutani, M.; Onaka, T.; Shibai, H.

2004-08-01

We present the results of mapping observations with ISO of [O I] 63 μm, 145 μm, [N II] 122 μm, [C II] 158 μm, [Si II] 35 μm, and H_2 9.66 μm line emissions for the Carina nebula, an active star-forming region in the Galactic plane. The observations were made for the central 40 arcmin × 20 arcmin area of the nebula, including the optically bright H II region and molecular cloud lying in front of the ionized gas. Around the center of the observed area is the interface between the H II region and the molecular cloud which creates a typical photodissociation region (PDR). The [C II] 158 μm emission shows a good correlation with the [O I] 63 μm emission and peaks around the H II-molecular region interface. The correlated component has the ratio of [C II] 158 μm to [O I] 63 μm of about 2.8. We estimate from the correlation that about 80% of [C II] emission comes from the PDR in the Carina nebula. The photoelectric heating efficiency estimated from the ratio of the ([C II] 158 μm + [O I] 63 μm) intensity to the total far-infrared intensity ranges from 0.06 to 1.2%. [O I] 145 μm is detected marginally at 10 positions. The average ratio of [O I] 145 μm to [O I] 63 μm of these positions is about 0.09 ± 0.01 and is larger than model predictions. The observed [C II] 158 μm to [O I] 63 μm ratio indicates a relatively low temperature ( <500 K) of the gas, while the large [O I] 145 μm to 63 μm ratio suggests a high temperature (˜ 1000 K). This discrepancy cannot be accounted for consistently by the latest PDR model with the efficient photoelectric heating via polycyclic aromatic hydrocarbons (PAHs) even if absorption of [O I] 63 μm by foreground cold gas is taken into account. We suggest that absorption of [C II] 158 μm together with [O I] 63 μm by overlapping PDRs, in which the heating via PAHs is suppressed due to the charge-up effect, may resolve the discrepancy. Quite strong [Si II] 35 μm emission has been detected over the observed area. It shows a

Nemesis I: Parallel Enhancements to ExodusII

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hennigan, Gary L.; John, Matthew S.; Shadid, John N.

2006-03-28

NEMESIS I is an enhancement to the EXODUS II finite element database model used to store and retrieve data for unstructured parallel finite element analyses. NEMESIS I adds data structures which facilitate the partitioning of a scalar (standard serial) EXODUS II file onto parallel disk systems found on many parallel computers. Since the NEMESIS I application programming interface (APl)can be used to append information to an existing EXODUS II files can be used on files which contain NEMESIS I information. The NEMESIS I information is written and read via C or C++ callable functions which compromise the NEMESIS I API.

Kinetics modelling of Cu(II) biosorption on to coconut shell and Moringa oleifera seeds from tropical regions.

PubMed

Acheampong, Mike A; Pereira, Joana P C; Meulepas, Roel J W; Lens, Piet N L

2012-01-01

Adsorption kinetic studies are of great significance in evaluating the performance of a given adsorbent and gaining insight into the underlying mechanism. This work investigated the sorption kinetics of Cu(II) on to coconut shell and Moringa oleifera seeds using batch techniques. To understand the mechanisms of the biosorption process and the potential rate-controlling steps, kinetic models were used to fit the experimental data. The results indicate that kinetic data were best described by the pseudo-second-order model with correlation coefficients (R2) of 0.9974 and 0.9958 for the coconut shell and Moringa oleifera seeds, respectively. The initial sorption rates obtained for coconut shell and Moringa oleifera seeds were 9.6395 x 10(-3) and 8.3292 x 10(-2) mg g(-1) min(-1), respectively. The values of the mass transfer coefficients obtained for coconut shell (1.2106 x 10(-3) cm s(-1)) and Moringa oleifera seeds (8.965 x 10(-4) cm s(-1)) indicate that the transport of Cu(II) from the bulk liquid to the solid phase was quite fast for both materials investigated. The results indicate that intraparticle diffusion controls the rate of sorption in this study; however, film diffusion cannot be neglected, especially at the initial stage of sorption.

Prospects of type-II seesaw models at future colliders in light of the DAMPE e+e- excess

NASA Astrophysics Data System (ADS)

Sui, Yicong; Zhang, Yongchao

2018-05-01

The DAMPE e+e- excess at around 1.4 TeV could be explained in the type-II seesaw model with a scalar dark mater D which is stabilized by a discrete Z2 symmetry. The simplest scenario is the annihilation D D →H++H- followed by the subsequent decay H±±→e±e±, with both the DM and triplet scalars roughly 3 TeV with a small mass splitting. In addition to the Drell-Yan process at future 100 TeV hadron colliders, the doubly charged components could also be produced at lepton colliders like ILC and CLIC in the off shell mode and mediate lepton flavor violating processes e+e-→ℓi±ℓj∓ (with i ≠j ). A wide range of parameter space of the type-II seesaw could be probed, which are well below the current stringent lepton flavor constraints.

Epileptogenesis causes an N-methyl-d-aspartate receptor/Ca2+-dependent decrease in Ca2+/calmodulin-dependent protein kinase II activity in a hippocampal neuronal culture model of spontaneous recurrent epileptiform discharges.

PubMed

Blair, Robert E; Sombati, Sompong; Churn, Severn B; Delorenzo, Robert J

2008-06-24

Alterations in the function of Ca2+/calmodulin-dependent protein kinase II (CaM kinase II) have been observed in both in vivo and in vitro models of epileptogenesis; however the molecular mechanism mediating the effects of epileptogenesis on CaM kinase II has not been elucidated. This study was initiated to evaluate the molecular pathways involved in causing the long-lasting decrease in CaM kinase II activity in the hippocampal neuronal culture model of low Mg2+-induced spontaneous recurrent epileptiform discharges (SREDs). We show here that the decrease in CaM kinase II activity associated with SREDs in hippocampal cultures involves a Ca2+/N-methyl-d-aspartate (NMDA) receptor-dependent mechanism. Low Mg2+-induced SREDs result in a significant decrease in Ca2+/calmodulin-dependent substrate phosphorylation of the synthetic peptide autocamtide-2. Reduction of extracellular Ca2+ levels (0.2 mM in treatment solution) or the addition of dl-2-amino-5-phosphonovaleric acid (APV) 25 microM blocked the low Mg2+-induced decrease in CaM kinase II-dependent substrate phosphorylation. Antagonists of the alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)/kainic acid receptor or L-type voltage sensitive Ca2+ channel had no effect on the low Mg2+-induced decrease in CaM kinase II-dependent substrate phosphorylation. The results of this study demonstrate that the decrease in CaM kinase II activity associated with this model of epileptogenesis involves a selective Ca2+/NMDA receptor-dependent mechanism and may contribute to the production and maintenance of SREDs in this model.

Epileptogenesis causes an N-methyl-d-aspartate receptor/Ca2+-dependent decrease in Ca2+/calmodulin-dependent protein kinase II activity in a hippocampal neuronal culture model of spontaneous recurrent epileptiform discharges

PubMed Central

Blair, Robert E.; Sombati, Sompong; Churn, Severn B.; DeLorenzo, Robert J.

2008-01-01

Alterations in the function of Ca2+/calmodulin-dependent protein kinase II (CaM Kinase II) have been observed in both in vivo and in vitro models of epileptogenesis; however the molecular mechanism mediating the effects of epileptogenesis on CaM Kinase II have not been elucidated. This study was initiated to evaluate the molecular pathways involved in causing the long lasting decrease in CaM Kinase II activity in the hippocampal neuronal culture model of low Mg2+ induced spontaneous recurrent epileptiform discharges (SREDs). We show here that the decrease in CaM kinase II activity associated with SREDs in hippocampal cultures involves a Ca2+/N-methyl-d-aspartate (NMDA) receptor-dependent mechanism. Low Mg2+ induced SREDs results in a significant decrease in Ca2+/calmodulin-dependent substrate phosphorylation of the synthetic peptide autocamtide-2. Reduction of extracellular Ca2+ levels (0.2 mM in treatment solution) or the addition of DL-2-amino-5-phosphonovaleric acid (APV) 25 µM blocked the low Mg2+ induced decrease in CaM kinase II-dependent substrate phosphorylation. Antagonists of the α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)/kainic acid receptor or L-type voltage sensitive Ca2+ channel had no effect on the low Mg2+ induced decrease in CaM kinase II-dependent substrate phosphorylation. The results of this study demonstrate that the decrease in CaM kinase II activity associated with this model of epileptogenesis involves a selective Ca2+/NMDA receptor-dependent mechanism and may contribute to the production and maintenance of SREDs in this model. PMID:18495112

The II Zw 40 Supernebula

NASA Astrophysics Data System (ADS)

Leitherer, C.; Byler, N.; Lee, J. C.; Levesque, E. M.

2017-11-01

We obtained HST COS G140L spectroscopy of the enigmatic nearby blue compact dwarf galaxy II Zw 40. The galaxy hosts a nuclear super star cluster with a luminosity 10 times that of 30 Doradus, the most powerful giant HII region in the Local Group. The super star cluster has been suggested to be the ionizing source of a ”supernebula” detected via its free-free radiation in the radio. The physical conditions, however, are much more complex, as demonstrated by the detection of the nebular He II and the mid-infrared line of [O IV] 25.9. These lines are unlikely to be related to hot stars and require a different powering source. II Zw 40 shares many similarities with the related blue compact dwarfs NGC 5253 and Henize 2-10. However, II Zw 40’s UV spectrum is unique in terms of the exceptional strength of He II 1640, O III 1663 and CIII 1909. We determined reddening, age, and the stellar initial mass function and perform a comparison with the local benchmark 30 Doradus. Photoionization modeling is used to determine the origin of the nebular lines as due to stellar ionization, shocks, or powering by a black hole.

The MicroArray Quality Control (MAQC)-II study of common practices for the development and validation of microarray-based predictive models

EPA Science Inventory

The second phase of the MicroArray Quality Control (MAQC-II) project evaluated common practices for developing and validating microarray-based models aimed at predicting toxicological and clinical endpoints. Thirty-six teams developed classifiers for 13 endpoints - some easy, som...

Model I & II Organizations: Examining Organizational Learning in Institutions Participating in the Academy for the Assessment of Student Learning

ERIC Educational Resources Information Center

Haywood, Antwione Maurice

2012-01-01

The Academy was an assessment enhancement program created by the HLC to help institutions strengthen and improve the assessment of student learning. Using a multiple case study approach, this study applies Argyis and Schon's (1976) Theory of Action to explore the espoused values and existence of Model I and II behavior characteristics. Argyis…

Composition, Characterization and Antibacterial activity of Mn(II), Co(II),Ni(II), Cu(II) Zn(II) and Cd(II) mixed ligand complexes Schiff base derived from Trimethoprim with 8-Hydroxy quinoline

NASA Astrophysics Data System (ADS)

Numan, Ahmed T.; Atiyah, Eman M.; Al-Shemary, Rehab K.; Ulrazzaq, Sahira S. Abd

2018-05-01

New Schiff base ligand 2-((4-amino-5-(3, 4, 5-trimethoxybenzyl) pyrimidin-2-ylimino) (phenyl)methyl)benzoic acid] = [HL] was synthesized using microwave irradiation trimethoprim and 2-benzoyl benzoic acid. Mixed ligand complexes of Mn((II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) are reacted in ethanol with Schiff base ligand [HL] and 8-hydroxyquinoline [HQ] then reacted with metal salts in ethanol as a solvent in (1:1:1) ratio. The ligand [HL] is characterized by FTIR, UV-Vis, melting point, elemental microanalysis (C.H.N), 1H-NMR, 13C-NMR, and mass spectra. The mixed ligand complexes are characterized by infrared spectra, electronic spectra, (C.H.N), melting point, atomic absorption, molar conductance and magnetic moment measurements. These measurements indicate that the ligand [HL] coordinates with metal (II) ion in a tridentate manner through the oxygen and nitrogen atoms of the ligand, octahedral structures are suggested for these complexes. Antibacterial activity of the ligands [HL], [HQ] and their complexes are studied against (gram positive) and (gram negative) bacteria.

Molecular modeling of NK-CT1, from Indian monocellate cobra (Naja kaouthia) and its docking interaction with human DNA topoisomerase II alpha

PubMed Central

Bandopadhyay, Pathikrit; Halder, Soma; Sarkar, Mrinmoy; Kumar Bhunia, Sujay; Dey, Sananda; Gomes, Antony; Giri, Biplab

2016-01-01

A 6.76 kDa molecular weight cardio and cytotoxic protein of 60 amino acids in length called NK-CT1, was purified from the venom of Indian monocellate cobra (Naja kaouthia) by ion-exchange chromatography and HPLC as described in our earlier report. Therefore it is of interest to utlize the sequence of NK-CT1 for further functional inference using molecular modeling and docking. Thus homology model of NK-CT1 is described in this report. The anti-proliferative activity of the protein, binding with human DNA topoisomerase-II alpha was demonstrated using docking data with AUTODOCK and AUTODOCK MGL tools. Data shows that M26, V27 and S28 of NK-CT1 is in close contact with the nucleotides of the oligonucleotide, bound with topoisomerase-II alpha complex. PMID:28149043

Multilayer adsorption of Cu(II) and Cd(II) over Brazilian Orchid Tree (Pata-de-vaca) and its adsorptive properties

NASA Astrophysics Data System (ADS)

Jorgetto, Alexandre de O.; da Silva, Adrielli C. P.; Wondracek, Marcos H. P.; Silva, Rafael I. V.; Velini, Edivaldo D.; Saeki, Margarida J.; Pedrosa, Valber A.; Castro, Gustavo R.

2015-08-01

Through very simple and inexpensive processes, pata-de-vaca leaves were turned into a powder and applied as an adsorbent for the uptake of Cu(II) and Cd(II) from water. The material was characterized through SEM, EDX, FTIR and surface area measurement. The material had its point of zero charge determined (5.24), and its adsorption capacity was evaluated as a function of time, pH and metal concentration. The material presented fast adsorption kinetics, reaching adsorption equilibrium in less than 5 min and it had a good correlation with the pseudo-second order kinetic model. Optimum pH for the adsorption of Cu(II) and Cd(II) were found to be in the range from 4 to 5, approximately. In the experiment as a function of the analyte concentration, analogously to gas adsorption, the material presented a type II isotherm, indicating the formation of multilayers for both species. Such behavior was explained with basis in the alternation between cations and anions over the material's surface, and the maximum adsorption capacity, considering the formation of the multilayers were found to be 0.238 mmol L-1 for Cu(II) and 0.113 mmol L-1 for Cd(II).

Small Diameter Bomb Increment II (SDB II)

DTIC Science & Technology

2015-12-01

Selected Acquisition Report ( SAR ) RCS: DD-A&T(Q&A)823-439 Small Diameter Bomb Increment II (SDB II) As of FY 2017 President’s Budget Defense...Acquisition Management Information Retrieval (DAMIR) March 23, 2016 16:19:13 UNCLASSIFIED SDB II December 2015 SAR March 23, 2016 16:19:13 UNCLASSIFIED...Document OSD - Office of the Secretary of Defense O&S - Operating and Support PAUC - Program Acquisition Unit Cost SDB II December 2015 SAR March 23

The rise-time of Type II supernovae

NASA Astrophysics Data System (ADS)

González-Gaitán, S.; Tominaga, N.; Molina, J.; Galbany, L.; Bufano, F.; Anderson, J. P.; Gutierrez, C.; Förster, F.; Pignata, G.; Bersten, M.; Howell, D. A.; Sullivan, M.; Carlberg, R.; de Jaeger, T.; Hamuy, M.; Baklanov, P. V.; Blinnikov, S. I.

2015-08-01

We investigate the early-time light curves of a large sample of 223 Type II supernovae (SNe II) from the Sloan Digital Sky Survey and the Supernova Legacy Survey. Having a cadence of a few days and sufficient non-detections prior to explosion, we constrain rise-times, i.e. the durations from estimated first to maximum light, as a function of effective wavelength. At rest-frame g' band (λeff = 4722 Å), we find a distribution of fast rise-times with median of (7.5 ± 0.3) d. Comparing these durations with analytical shock models of Rabinak & Waxman and Nakar & Sari, and hydrodynamical models of Tominaga et al., which are mostly sensitive to progenitor radius at these epochs, we find a median characteristic radius of less than 400 solar radii. The inferred radii are on average much smaller than the radii obtained for observed red supergiants (RSG). Investigating the post-maximum slopes as a function of effective wavelength in the light of theoretical models, we find that massive hydrogen envelopes are still needed to explain the plateaus of SNe II. We therefore argue that the SN II rise-times we observe are either (a) the shock cooling resulting from the core collapse of RSG with small and dense envelopes, or (b) the delayed and prolonged shock breakout of the collapse of an RSG with an extended atmosphere or embedded within pre-SN circumstellar material.

It's fun to transcribe with Fun30: A model for nucleosome dynamics during RNA polymerase II-mediated elongation.

PubMed

Lee, Junwoo; Choi, Eun Shik; Lee, Daeyoup

2018-01-01

The ability of elongating RNA polymerase II (RNAPII) to regulate the nucleosome barrier is poorly understood because we do not know enough about the involved factors and we lack a conceptual framework to model this process. Our group recently identified the conserved Fun30/SMARCAD1 family chromatin-remodeling factor, Fun30 Fft3 , as being critical for relieving the nucleosome barrier during RNAPII-mediated elongation, and proposed a model illustrating how Fun30 Fft3 may contribute to nucleosome disassembly during RNAPII-mediated elongation. Here, we present a model that describes nucleosome dynamics during RNAPII-mediated elongation in mathematical terms and addresses the involvement of Fun30 Fft3 in this process.

Aerosols at the poles: an AeroCom Phase II multi-model evaluation

DOE PAGES

Sand, Maria; Samset, Bjorn H.; Balkanski, Yves; ...

2017-10-13

Atmospheric aerosols from anthropogenic and natural sources reach the polar regions through long-range transport and affect the local radiation balance. Such transport is, however, poorly constrained in present-day global climate models, and few multi-model evaluations of polar anthropogenic aerosol radiative forcing exist. Here we compare the aerosol optical depth (AOD) at 550 nm from simulations with 16 global aerosol models from the AeroCom Phase II model intercomparison project with available observations at both poles. We show that the annual mean multi-model median is representative of the observations in Arctic, but that the intermodel spread is large. We also document themore » geographical distribution and seasonal cycle of the AOD for the individual aerosol species: black carbon (BC) from fossil fuel and biomass burning, sulfate, organic aerosols (OAs), dust, and sea-salt. For a subset of models that represent nitrate and secondary organic aerosols (SOAs), we document the role of these aerosols at high latitudes. The seasonal dependence of natural and anthropogenic aerosols differs with natural aerosols peaking in winter (sea-salt) and spring (dust), whereas AOD from anthropogenic aerosols peaks in late spring and summer. The models produce a median annual mean AOD of 0.07 in the Arctic (defined here as north of 60° N). The models also predict a noteworthy aerosol transport to the Antarctic (south of 70° S) with a resulting AOD varying between 0.01 and 0.02. The models have estimated the shortwave anthropogenic radiative forcing contributions to the direct aerosol effect (DAE) associated with BC and OA from fossil fuel and biofuel (FF), sulfate, SOAs, nitrate, and biomass burning from BC and OA emissions combined. The Arctic modelled annual mean DAE is slightly negative (-0.12 W m -2), dominated by a positive BC FF DAE in spring and a negative sulfate DAE in summer. The Antarctic DAE is governed by BC FF. We perform sensitivity experiments with one of

Aerosols at the poles: an AeroCom Phase II multi-model evaluation

NASA Astrophysics Data System (ADS)

Sand, Maria; Samset, Bjørn H.; Balkanski, Yves; Bauer, Susanne; Bellouin, Nicolas; Berntsen, Terje K.; Bian, Huisheng; Chin, Mian; Diehl, Thomas; Easter, Richard; Ghan, Steven J.; Iversen, Trond; Kirkevåg, Alf; Lamarque, Jean-François; Lin, Guangxing; Liu, Xiaohong; Luo, Gan; Myhre, Gunnar; van Noije, Twan; Penner, Joyce E.; Schulz, Michael; Seland, Øyvind; Skeie, Ragnhild B.; Stier, Philip; Takemura, Toshihiko; Tsigaridis, Kostas; Yu, Fangqun; Zhang, Kai; Zhang, Hua

2017-10-01

Atmospheric aerosols from anthropogenic and natural sources reach the polar regions through long-range transport and affect the local radiation balance. Such transport is, however, poorly constrained in present-day global climate models, and few multi-model evaluations of polar anthropogenic aerosol radiative forcing exist. Here we compare the aerosol optical depth (AOD) at 550 nm from simulations with 16 global aerosol models from the AeroCom Phase II model intercomparison project with available observations at both poles. We show that the annual mean multi-model median is representative of the observations in Arctic, but that the intermodel spread is large. We also document the geographical distribution and seasonal cycle of the AOD for the individual aerosol species: black carbon (BC) from fossil fuel and biomass burning, sulfate, organic aerosols (OAs), dust, and sea-salt. For a subset of models that represent nitrate and secondary organic aerosols (SOAs), we document the role of these aerosols at high latitudes.The seasonal dependence of natural and anthropogenic aerosols differs with natural aerosols peaking in winter (sea-salt) and spring (dust), whereas AOD from anthropogenic aerosols peaks in late spring and summer. The models produce a median annual mean AOD of 0.07 in the Arctic (defined here as north of 60° N). The models also predict a noteworthy aerosol transport to the Antarctic (south of 70° S) with a resulting AOD varying between 0.01 and 0.02. The models have estimated the shortwave anthropogenic radiative forcing contributions to the direct aerosol effect (DAE) associated with BC and OA from fossil fuel and biofuel (FF), sulfate, SOAs, nitrate, and biomass burning from BC and OA emissions combined. The Arctic modelled annual mean DAE is slightly negative (-0.12 W m-2), dominated by a positive BC FF DAE in spring and a negative sulfate DAE in summer. The Antarctic DAE is governed by BC FF. We perform sensitivity experiments with one of the Aero

Aerosols at the poles: an AeroCom Phase II multi-model evaluation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sand, Maria; Samset, Bjorn H.; Balkanski, Yves

Atmospheric aerosols from anthropogenic and natural sources reach the polar regions through long-range transport and affect the local radiation balance. Such transport is, however, poorly constrained in present-day global climate models, and few multi-model evaluations of polar anthropogenic aerosol radiative forcing exist. Here we compare the aerosol optical depth (AOD) at 550 nm from simulations with 16 global aerosol models from the AeroCom Phase II model intercomparison project with available observations at both poles. We show that the annual mean multi-model median is representative of the observations in Arctic, but that the intermodel spread is large. We also document themore » geographical distribution and seasonal cycle of the AOD for the individual aerosol species: black carbon (BC) from fossil fuel and biomass burning, sulfate, organic aerosols (OAs), dust, and sea-salt. For a subset of models that represent nitrate and secondary organic aerosols (SOAs), we document the role of these aerosols at high latitudes. The seasonal dependence of natural and anthropogenic aerosols differs with natural aerosols peaking in winter (sea-salt) and spring (dust), whereas AOD from anthropogenic aerosols peaks in late spring and summer. The models produce a median annual mean AOD of 0.07 in the Arctic (defined here as north of 60° N). The models also predict a noteworthy aerosol transport to the Antarctic (south of 70° S) with a resulting AOD varying between 0.01 and 0.02. The models have estimated the shortwave anthropogenic radiative forcing contributions to the direct aerosol effect (DAE) associated with BC and OA from fossil fuel and biofuel (FF), sulfate, SOAs, nitrate, and biomass burning from BC and OA emissions combined. The Arctic modelled annual mean DAE is slightly negative (-0.12 W m -2), dominated by a positive BC FF DAE in spring and a negative sulfate DAE in summer. The Antarctic DAE is governed by BC FF. We perform sensitivity experiments with one of

FutureTox II: in vitro data and in silico models for predictive toxicology.

PubMed

Knudsen, Thomas B; Keller, Douglas A; Sander, Miriam; Carney, Edward W; Doerrer, Nancy G; Eaton, David L; Fitzpatrick, Suzanne Compton; Hastings, Kenneth L; Mendrick, Donna L; Tice, Raymond R; Watkins, Paul B; Whelan, Maurice

2015-02-01

FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo responses from in vitro and in silico data, and to define the goals for the future. Presentations and discussions were held on priority concerns such as predicting and modeling of metabolism, cell growth and differentiation, effects on sensitive subpopulations, and integrating data into risk assessment. Emerging trends in technologies such as stem cell-derived human cells, 3D organotypic culture models, mathematical modeling of cellular processes and morphogenesis, adverse outcome pathway development, and high-content imaging of in vivo systems were discussed. Although advances in moving towards an in vitro/in silico based risk assessment paradigm were apparent, knowledge gaps in these areas and limitations of technologies were identified. Specific recommendations were made for future directions and research needs in the areas of hepatotoxicity, cancer prediction, developmental toxicity, and regulatory toxicology. © The Author 2015. Published by Oxford University Press on behalf of the Society of Toxicology. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Two-dimensional numerical modeling and solution of convection heat transfer in turbulent He II

NASA Technical Reports Server (NTRS)

Zhang, Burt X.; Karr, Gerald R.

1991-01-01

Numerical schemes are employed to investigate heat transfer in the turbulent flow of He II. FEM is used to solve a set of equations governing the heat transfer and hydrodynamics of He II in the turbulent regime. Numerical results are compared with available experimental data and interpreted in terms of conventional heat transfer parameters such as the Prandtl number, the Peclet number, and the Nusselt number. Within the prescribed Reynolds number domain, the Gorter-Mellink thermal counterflow mechanism becomes less significant, and He II acts like an ordinary fluid. The convection heat transfer characteristics of He II in the highly turbulent regime can be successfully described by using the conventional turbulence and heat transfer theories.

Ni(II) biosorption by Cassia fistula (Golden Shower) biomass.

PubMed

Hanif, Muhammad Asif; Nadeem, Raziya; Bhatti, Haq Nawaz; Ahmad, Najum Rashid; Ansari, Tariq Mehmood

2007-01-10

Cassia fistula is a fast-growing, medium-sized, deciduous tree which is now widely cultivated worldwide as an ornamental tree for its beautiful showy yellow flowers. Methods are required to reuse fallen leaves, branches, stem bark and pods when they start getting all over lawn. This investigation studies the use of these non-useful parts of C. fistula as naturally occurring biosorbent for the batch removal of Ni(II) in a well stirred system under different experimental conditions. The data showed that the maximum pH (pHmax) for efficient sorption of Ni(II) was 6 at which evaluated biosorbent dosage, biosorbent particle size, initial concentrations of Ni(II) and sorption time were 0.1 g/100 mL, <0.255 mm, up to 200 mg/L and 720 min, respectively. The experimental results were analyzed in terms of Langmuir and Freundlich isotherms. The Langmuir isotherm model fitted well to data of Ni(II) biosorption by C. fistula biomass as compared to the model of Freundlich. The kinetic studies showed that the sorption rates could be described better by a second order expression than by a more commonly applied Lagergren equation. The magnitude of the Gibbs free energy values indicates spontaneous nature of the sorption process. The sorption ability of C. fistula biomass for Ni(II) removal tends to be in the order: leavesII) removal was achieved when the initial Ni(II) concentration was 25 mg/L. Due to its outstanding Ni(II) uptake capacity, C. fistula biomass proved to be an excellent biomaterial for accumulating Ni(II) from aqueous solutions.

High particulate iron(II) content in glacially sourced dusts enhances productivity of a model diatom

PubMed Central

Shoenfelt, Elizabeth M.; Sun, Jing; Winckler, Gisela; Kaplan, Michael R.; Borunda, Alejandra L.; Farrell, Kayla R.; Moreno, Patricio I.; Gaiero, Diego M.; Recasens, Cristina; Sambrotto, Raymond N.; Bostick, Benjamin C.

2017-01-01

Little is known about the bioavailability of iron (Fe) in natural dusts and the impact of dust mineralogy on Fe utilization by photosynthetic organisms. Variation in the supply of bioavailable Fe to the ocean has the potential to influence the global carbon cycle by modulating primary production in the Southern Ocean. Much of the dust deposited across the Southern Ocean is sourced from South America, particularly Patagonia, where the waxing and waning of past and present glaciers generate fresh glaciogenic material that contrasts with aged and chemically weathered nonglaciogenic sediments. We show that these two potential sources of modern-day dust are mineralogically distinct, where glaciogenic dust sources contain mostly Fe(II)-rich primary silicate minerals, and nearby nonglaciogenic dust sources contain mostly Fe(III)-rich oxyhydroxide and Fe(III) silicate weathering products. In laboratory culture experiments, Phaeodactylum tricornutum, a well-studied coastal model diatom, grows more rapidly, and with higher photosynthetic efficiency, with input of glaciogenic particulates compared to that of nonglaciogenic particulates due to these differences in Fe mineralogy. Monod nutrient accessibility models fit to our data suggest that particulate Fe(II) content, rather than abiotic solubility, controls the Fe bioavailability in our Fe fertilization experiments. Thus, it is possible for this diatom to access particulate Fe in dusts by another mechanism besides uptake of unchelated Fe (Fe′) dissolved from particles into the bulk solution. If this capability is widespread in the Southern Ocean, then dusts deposited to the Southern Ocean in cold glacial periods are likely more bioavailable than those deposited in warm interglacial periods. PMID:28691098

Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and DL-phenylalanine.

PubMed

Mohamed, Gehad G; El-Gamel, Nadia E A

2004-11-01

The ternary piroxicam (Pir; 4-hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide) complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with various amino acids (AA) such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction. The UV-Vis spectra of Pir and the effect of metal chelation on the different interligand transitions are discussed in detailed manner. IR and UV-Vis spectra confirm that Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine-N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its carboxylic group, in addition PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA chelates were 1:1 electrolytes. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures.

Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and DL-phenylalanine

NASA Astrophysics Data System (ADS)

Mohamed, Gehad G.; El-Gamel, Nadia E. A.

2004-11-01

The ternary piroxicam (Pir; 4-hydroxy-2-methyl- N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide) complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with various amino acids (AA) such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction. The UV-Vis spectra of Pir and the effect of metal chelation on the different interligand transitions are discussed in detailed manner. IR and UV-Vis spectra confirm that Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its carboxylic group, in addition PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA cheletes were 1:1 electrolytes. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures.

Transformation impacts of dissolved and solid phase Fe(II) on trichloroethylene (TCE) reduction in an iron-reducing bacteria (IRB) mixed column system: a mathematical model.

PubMed

Bae, Yeunook; Kim, Dooil; Cho, Hyun-Hee; Singhal, Naresh; Park, Jae-Woo

2012-12-01

In this research, we conducted trichloroethylene (TCE) reduction in a column filled with iron and iron-reducing bacteria (IRB) and developed a mathematical model to investigate the critical reactions between active species in iron/IRB/contaminant systems. The formation of ferrous iron (Fe(II)) in this system with IRB and zero-valent iron (ZVI, Fe(0)) coated with a ferric iron (Fe(III)) crust significantly affected TCE reduction and IRB respiration in various ways. This study presents a new framework for transformation property and reducing ability of both dissolved (Fe(II)(dissolved)) and solid form ferrous iron (Fe(II)(solid)). Results showed that TCE reduction was strongly depressed by Fe(II)(solid) rather than by other inhibitors (e.g., Fe(III) and lactate), suggesting that Fe(II)(solid) might reduce IRB activation due to attachment to IRB cells. Newly exposed Fe(0) from the released Fe(II)(dissolved) was a strong contributor to TCE reduction compared to Fe(II)(solid). In addition, our research confirmed that less Fe(II)(solid) production strongly supported long-term TCE reduction because it may create an easier TCE approach to Fe(0) or increase IRB growth. Our findings will aid the understanding of the contributions of iron media (e.g., Fe(II)(solid), Fe(II)(dissolved), Fe(III), and Fe(0)) to IRB for decontamination in natural groundwater systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

Preliminary Modelling of Radiation Levels at the Fermilab PIP-II Linac

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lari, L.; Cerutti, F.; Esposito, L. S.

PIP-II is the Fermilab's flagship project for providing powerful, high-intensity proton beams to the laboratory's experiments. The heart of PIP-II is an 800-MeV superconducting linac accelerator. It will be located in a new tunnel with new service buildings and connected to the present Booster through a new transfer line. To support the design of civil engineering and mechanical integration, this paper provides preliminary estimation of radiation level in the gallery at an operational beam loss limit of 0.1 W/m, by means of Monte Carlo calculations with FLUKA and MARS15 codes.

Synthesis, spectroscopic characterization, thermal analysis and electrical conductivity studies of Mg(II), Ca(II), Sr(II) and Ba(II) vitamin B2 complexes

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; Moussa, Mohamed A. A.; Mohamed, Soha F.

2011-05-01

Riboflavin (RF) complexes of Mg(II), Ca(II), Sr(II) and Ba(II) were successfully synthesized. Structures of metal complexes obtained were confirmed and characterized by elemental analysis, molar conductance, and infrared spectra. DC electrical conductivity measurements indicated that the alkaline earth metal (II) complexes of RF ligand are non-electrolytes. Elemental analysis of chelates suggest that the metal(II) ligand ratio is 1:2 with structure formula as [M(RF) 2( X) 2]· nH 2O. Infrared assignments clearly show that RF ligand coordinated as a bidentate feature through azomethine nitrogen of pyrazine ring and C dbnd O of pyrimidine-2,4-dione. Thermal analyses of Mg(II), Ca(II), Sr(II) and Ba(II) complexes were investigated using (TG/DSC) under atmospheric nitrogen between 30 and 800 °C. The surface morphology of the complexes was studied by SEM. The electrical conductivities of RF and its metal complexes were also measured with DC electrical conductivity in the temperature range from room to 483 K.

Introducing Object-Oriented Concepts into GSI

NASA Technical Reports Server (NTRS)

Guo, Jing; Todling, Ricardo

2017-01-01

Enhancements are now being made to the Gridpoint Statistical Interpolation (GSI) data assimilation system to expand its capabilities. This effort opens the way for broadening the scope of GSI's applications by using some standard object-oriented features in Fortran, and represents a starting point for the so-called GSI refactoring, as a part of the Joint Effort for Data-assimilationI ntegration (JEDI) project of JCSDA.

SATA II - Stochastic Algebraic Topology and Applications

DTIC Science & Technology

2017-01-30

AFRL-AFOSR-UK-TR-2017-0018 SATA II - Stochastic Algebraic Topology and Applications 150032 Robert Adler TECHNION ISRAEL INSTITUTE OF TECHNOLOGY Final...REPORT TYPE Final 3. DATES COVERED (From - To) 15 Dec 2014 to 14 Dec 2016 4. TITLE AND SUBTITLE SATA II - Stochastic Algebraic Topology and Applications ...has recently been submitted to AFOSR. 15. SUBJECT TERMS Network Theory, Sensor Technology, Mathematical Modeling, EOARD 16. SECURITY CLASSIFICATION OF

A Multi-Model Assessment for the 2006 and 2010 Simulations under the Air Quality Model Evaluation International Initiative (AQMEII) Phase 2 over North America: Part II. Evaluation of Column Variable Predictions Using Satellite Data

EPA Science Inventory

Within the context of the Air Quality Model Evaluation International Initiative phase 2 (AQMEII2) project, this part II paper performs a multi-model assessment of major column abundances of gases, radiation, aerosol, and cloud variables for 2006 and 2010 simulations with three on...

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

NASA Astrophysics Data System (ADS)

Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D.

2016-08-01

This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D., E-mail: alejandro.rey@mcgill.ca

2016-08-15

This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better thanmore » the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.« less

The Factor Structure of the Beck Depression Inventory-II: An Evaluation

ERIC Educational Resources Information Center

Vanheule, Stijn; Desmet, Mattias; Groenvynck, Hans; Rosseel, Yves; Fontaine, Johnny

2008-01-01

The Beck Depression Inventory-II (BDI-II) is a frequently used scale for measuring depressive severity. BDI-II data (404 clinical; 695 nonclinical adults) were analyzed by means of confirmatory factor analysis to test whether the factor structure model with a somatic-affective and cognitive component of depression, formulated by Beck and…

Prospector II: Towards a knowledge base for mineral deposits

USGS Publications Warehouse

McCammon, R.B.

1994-01-01

What began in the mid-seventies as a research effort in designing an expert system to aid geologists in exploring for hidden mineral deposits has in the late eighties become a full-sized knowledge-based system to aid geologists in conducting regional mineral resource assessments. Prospector II, the successor to Prospector, is interactive-graphics oriented, flexible in its representation of mineral deposit models, and suited to regional mineral resource assessment. In Prospector II, the geologist enters the findings for an area, selects the deposit models or examples of mineral deposits for consideration, and the program compares the findings with the models or the examples selected, noting the similarities, differences, and missing information. The models or the examples selected are ranked according to scores that are based on the comparisons with the findings. Findings can be reassessed and the process repeated if necessary. The results provide the geologist with a rationale for identifying those mineral deposit types that the geology of an area permits. In future, Prospector II can assist in the creation of new models used in regional mineral resource assessment and in striving toward an ultimate classification of mineral deposits. ?? 1994 International Association for Mathematical Geology.

Kinetic and thermodynamic studies of the Co(II) and Ni(II) ions removal from aqueous solutions by Ca-Mg phosphates.

PubMed

Ivanets, A I; Srivastava, V; Kitikova, N V; Shashkova, I L; Sillanpää, M

2017-03-01

The aim of this work was to study the sorption kinetics and thermodynamics of Co(II) and Ni(II) from aqueous solutions by sorbents on the basis of hydrogen (PD-1) and tertiary (PD-2) Ca-Mg phosphates depending on the solution temperature and sorbents chemical composition. Kinetic studies of adsorption of Co(II) and Ni(II) ions onto samples of phosphate sorbents were performed in batch experiment at the temperatures 288, 303, 318 and 333 K. The sorbent dose was fixed at 10 g L -1 , initial pH value 2.6, and contact time varied from 5 to 600 min. The kinetics of Co(II) and Ni(II) adsorption were analyzed by using pseudo-first order, pseudo-second order and intraparticle diffusion models. Thermodynamic parameters (ΔG°, ΔH° and ΔS°) for the sorption of Co(II) and Ni(II) were determined using the Gibbs-Helmholtz equation. The calculated kinetic parameters and corresponding correlation coefficients revealed that Co(II) and Ni(II) uptake process followed the pseudo-second order rate expression. Thermodynamic studies confirmed the spontaneous and endothermic nature of removal process which indicate that sorption of Co(II) and Ni(II) ions onto both phosphate sorbents is favoured at higher temperatures and has the chemisorptive mechanism. The data thus obtained would be useful for practical application of the low cost and highly effective Ca-Mg phosphate sorbents. Copyright © 2016 Elsevier Ltd. All rights reserved.

Interaction of a Ni(II) tetraazaannulene complex with elongated fullerenes as simple models for carbon nanotubes.

PubMed

Henao-Holguín, Laura Verónica; Basiuk, Vladimir A

2015-06-01

Nickel(II) complex of 5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11] tetraazacyclotetradecine (NiTMTAA), which can be employed for noncovalent functionalization of carbon nanotubes (CNTs), represents a more complex and interesting case in terms of structure of the resulting nanohybrids, as compared to the related materials functionalized with porphyrins and phthalocyanines. Due to its saddle shape, the NiTMTAA molecule adsorbed can adopt different, energetically non-equivalent orientations with respect to CNT, depending on whether CH3 or C6H4 groups contact the latter. The main goal of the present work was to provide information on the interactions of NiTMTAA with simple single-walled CNT (SWNT) models accessible for dispersion-corrected DFT calculations. For reasons of comparison, we employed three such functionals: M06-2X and LC-BLYP as implemented in Gaussian 09 package, and PBE-G as implemented in Materials Studio 6.0. In order to roughly estimate the effect of nanotube chirality on the interaction strenght, we considered two short closed-end SWNT models (also referred to as 'elongated fullerenes'), one armchair and one zigzag, derived from C60 and C80 hemispheres. In addition, we calculated similar complexes with C60, as well as I h and D 5h isomers of C80. The results were analyzed in terms of optimized geometries, formation energies, HOMO-LUMO gap energies, and intermolecular separations. Graphical Abstract Interaction of Ni(II) tetraazaannulene complex with elongated fullerenes.

Chitosan film loaded with silver nanoparticles-sorbent for solid phase extraction of Al(III), Cd(II), Cu(II), Co(II), Fe(III), Ni(II), Pb(II) and Zn(II).

PubMed

Djerahov, Lubomir; Vasileva, Penka; Karadjova, Irina; Kurakalva, Rama Mohan; Aradhi, Keshav Krishna

2016-08-20

The present study describes the ecofriendly method for the preparation of chitosan film loaded with silver nanoparticles (CS-AgNPs) and application of this film as efficient sorbent for separation and enrichment of Al(III), Cd(II), Cu(II), Co(II), Fe(III), Ni(II), Pb(II) and Zn(II). The stable CS-AgNPs colloid was prepared by dispersing the AgNPs sol in chitosan solution at appropriate ratio and further used to obtain a cast film with very good stability under storage and good mechanical strength for easy handling in aqueous medium. The incorporation of AgNPs in the structure of CS film and interaction between the polymer matrix and nanoparticles were confirmed by UV-vis and FTIR spectroscopy. The homogeneously embedded AgNPs (average diameter 29nm, TEM analysis) were clearly observed throughout the film by SEM. The CS-AgNPs nanocomposite film shows high sorption activity toward trace metals under optimized chemical conditions. The results suggest that the CS-AgNPs nanocomposite film can be feasibly used as a novel sorbent material for solid-phase extraction of metal pollutants from surface waters. Copyright © 2016 Elsevier Ltd. All rights reserved.

Module modified acute physiology and chronic health evaluation II: predicting the mortality of neuro-critical disease.

PubMed

Su, Yingying; Wang, Miao; Liu, Yifei; Ye, Hong; Gao, Daiquan; Chen, Weibi; Zhang, Yunzhou; Zhang, Yan

2014-12-01

This study aimed to conduct and assess a module modified acute physiology and chronic health evaluation (MM-APACHE) II model, based on disease categories modified-acute physiology and chronic health evaluation (DCM-APACHE) II model, in predicting mortality more accurately in neuro-intensive care units (N-ICUs). In total, 1686 patients entered into this prospective study. Acute physiology and chronic health evaluation (APACHE) II scores of all patients on admission and worst 24-, 48-, 72-hour scores were obtained. Neurological diagnosis on admission was classified into five categories: cerebral infarction, intracranial hemorrhage, neurological infection, spinal neuromuscular (SNM) disease, and other neurological diseases. The APACHE II scores of cerebral infarction, intracranial hemorrhage, and neurological infection patients were used for building the MM-APACHE II model. There were 1386 cases for cerebral infarction disease, intracranial hemorrhage disease, and neurological infection disease. The logistic linear regression showed that 72-hour APACHE II score (Wals  =  173.04, P < 0.001) and disease classification (Wals  =  12.51, P  =  0.02) were of importance in forecasting hospital mortality. Module modified acute physiology and chronic health evaluation II model, built on the variables of the 72-hour APACHE II score and disease category, had good discrimination (area under the receiver operating characteristic curve (AU-ROC  =  0.830)) and calibration (χ2  =  12.518, P  =  0.20), and was better than the Knaus APACHE II model (AU-ROC  =  0.778). The APACHE II severity of disease classification system cannot provide accurate prognosis for all kinds of the diseases. A MM-APACHE II model can accurately predict hospital mortality for cerebral infarction, intracranial hemorrhage, and neurologic infection patients in N-ICU.

Surface complexation model for multisite adsorption of copper(II) onto kaolinite

NASA Astrophysics Data System (ADS)

Peacock, Caroline L.; Sherman, David M.

2005-08-01

We measured the adsorption of Cu(II) onto kaolinite from pH 3-7 at constant ionic strength. EXAFS spectra show that Cu(II) adsorbs as (CuO 4H n) n-6 and binuclear (Cu 2O 6H n) n-8 inner-sphere complexes on variable-charge ≡AlOH sites and as Cu 2+ on ion exchangeable ≡X-H + sites. Sorption isotherms and EXAFS spectra show that surface precipitates have not formed at least up to pH 6.5. Inner-sphere complexes are bound to the kaolinite surface by corner-sharing with two or three edge-sharing Al(O,OH) 6 polyhedra. Our interpretation of the EXAFS data are supported by ab initio (density functional theory) geometries of analog clusters simulating Cu complexes on the {110} and {010} crystal edges and at the ditrigonal cavity sites on the {001}. Having identified the bidentate (≡AlOH) 2Cu(OH) 20, tridentate (≡Al 3O(OH) 2)Cu 2(OH) 30 and ≡X-Cu 2+ surface complexes, the experimental copper(II) adsorption data can be fit to the reactions

Collaborative Research to Optimize Warfighter Nutrition II (CROWN II)

DTIC Science & Technology

2016-09-01

Award Number: W81XWH-14-1-0335 TITLE: Collaborative Research to Optimize Warfighter Nutrition II (CROWN II) PRINCIPAL INVESTIGATOR: Jennifer C...2016 4. TITLE AND SUBTITLE Collaborative Research to Optimize Warfighter Nutrition II (CROWN II) 5a. CONTRACT NUMBER 5b. GRANT NUMBER W81XWH-14-1...has been forged between USARIEM and Pennington Biomedical Research Center (PBRC) since 1988. Objective: CROWN II conducts research in nutrition

Inositol 1,4,5-trisphosphate receptor type II (InsP3R-II) is reduced in obese mice, but metabolic homeostasis is preserved in mice lacking InsP3R-II

PubMed Central

Feriod, Colleen N.; Nguyen, Lily; Jurczak, Michael J.; Kruglov, Emma A.; Nathanson, Michael H.; Shulman, Gerald I.; Bennett, Anton M.

2014-01-01

Inositol 1,4,5-trisphosphate receptor type II (InsP3R-II) is the most prevalent isoform of the InsP3R in hepatocytes and is concentrated under the canalicular membrane, where it plays an important role in bile secretion. We hypothesized that altered calcium (Ca2+) signaling may be involved in metabolic dysfunction, as InsP3R-mediated Ca2+ signals have been implicated in the regulation of hepatic glucose homeostasis. Here, we find that InsP3R-II, but not InsP3R-I, is reduced in the livers of obese mice. In our investigation of the functional consequences of InsP3R-II deficiency, we found that organic anion secretion at the canalicular membrane and Ca2+ signals were impaired. However, mice lacking InsP3R-II showed no deficits in energy balance, glucose production, glucose tolerance, or susceptibility to hepatic steatosis. Thus, our results suggest that reduced InsP3R-II expression is not sufficient to account for any disruptions in metabolic homeostasis that are observed in mouse models of obesity. We conclude that metabolic homeostasis is maintained independently of InsP3R-II. Loss of InsP3R-II does impair secretion of bile components; therefore, we suggest that conditions of obesity would lead to a decrease in this Ca2+-sensitive process. PMID:25315698

Coordination behavior of tetraaza [N4] ligand towards Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes: Synthesis, spectroscopic characterization and anticancer activity

NASA Astrophysics Data System (ADS)

El-Boraey, Hanaa A.

2012-11-01

Novel eight Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes with [N4] ligand (L) i.e. 2-amino-N-{2-[(2-aminobenzoyl)amino]ethyl}benzamide have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and molar conductivity measurements. On the basis of IR, mass, electronic and EPR spectral studies an octahedral geometry has been proposed for Co(II), Ni(II) complexes and Cu(II) chloride complex, square-pyramidal for Cu(I) bromide complex. For Cu(II) nitrate complex (6), Pd(II) complex (8) square planar geometry was proposed. The EPR data of Cu(II) complexes in powdered form indicate dx2-y2 ground state of Cu(II) ion. The antitumor activity of the synthesized ligand and some selected metal complexes has been studied. The palladium(II) complex (8) was found to display cytotoxicity (IC50 = 25.6 and 41 μM) against human breast cancer cell line MCF-7 and human hepatocarcinoma HEPG2 cell line.

Theoretical basal Ca II fluxes for late-type stars: results from magnetic wave models with time-dependent ionization and multi-level radiation treatments

NASA Astrophysics Data System (ADS)

Fawzy, Diaa E.; Stȩpień, K.

2018-03-01

In the current study we present ab initio numerical computations of the generation and propagation of longitudinal waves in magnetic flux tubes embedded in the atmospheres of late-type stars. The interaction between convective turbulence and the magnetic structure is computed and the obtained longitudinal wave energy flux is used in a self-consistent manner to excite the small-scale magnetic flux tubes. In the current study we reduce the number of assumptions made in our previous studies by considering the full magnetic wave energy fluxes and spectra as well as time-dependent ionization (TDI) of hydrogen, employing multi-level Ca II atomic models, and taking into account departures from local thermodynamic equilibrium. Our models employ the recently confirmed value of the mixing-length parameter α=1.8. Regions with strong magnetic fields (magnetic filling factors of up to 50%) are also considered in the current study. The computed Ca II emission fluxes show a strong dependence on the magnetic filling factors, and the effect of time-dependent ionization (TDI) turns out to be very important in the atmospheres of late-type stars heated by acoustic and magnetic waves. The emitted Ca II fluxes with TDI included into the model are decreased by factors that range from 1.4 to 5.5 for G0V and M0V stars, respectively, compared to models that do not consider TDI. The results of our computations are compared with observations. Excellent agreement between the observed and predicted basal flux is obtained. The predicted trend of Ca II emission flux with magnetic filling factor and stellar surface temperature also agrees well with the observations but the calculated maximum fluxes for stars of different spectral types are about two times lower than observations. Though the longitudinal MHD waves considered here are important for chromosphere heating in high activity stars, additional heating mechanism(s) are apparently present.

Pb(II) and Cd(II) removal from aqueous solution, shipyard wastewater, and landfill leachate by modified Rhizopus oryzae biomass

NASA Astrophysics Data System (ADS)

Naeimi, Behrouz; Foroutan, Rauf; Ahmadi, Bahram; Sadeghzadeh, Farzaneh; Ramavandi, Bahman

2018-04-01

This study was designed to remove Pb(II) and Cd(II) from aqueous solution, shipyard wastewater, and sanitary landfill leachate using an alkaline-modified Rhizopus oryzae biomass. According to the Fourier transform infrared test, different functional groups like O–H, N–H, C=O, and P–O were detected in the bioadsorbent. The x-ray fluorescence (XRF) analysis showed that CaO, P2O3, and SO3 oxides have the highest content in the bioadsorbent. The surface area of modified Rhizopus oryzae was obtained as 20.32 m2 g‑1. The effect of initial pH, temperature, contact time, and bioadsorbent dose on the metals removal was discussed. At optimal conditions, maximum Pb(II) and Cd(II) removal was obtained 95.66% and 94.55%, respectively. Freundlich model was well- accurately described the equilibrium data. Among four studied models, the pseudo-second-order was better able to describe the kinetic behavior of the bioadsorption process. The amount of enthalpy, free energy of Gibbs, and entropy parameters indicated that the bioadsorption process of studied heavy metals is negative, exothermic, and spontaneous. The amount of heavy metals in a shipyard wastewater and sanitary landfill leachate was significantly decreased by using the developed bioadsorbent.

Renoprotective and blood pressure-lowering effect of dietary soy protein via protein kinase C beta II inhibition in a rat model of metabolic syndrome.

PubMed

Palanisamy, Nallasamy; Viswanathan, Periyasamy; Ravichandran, Mambakkam Katchapeswaran; Anuradha, Carani Venkataraman

2010-01-01

We studied whether substitution of soy protein for casein can improve insulin sensitivity, lower blood pressure (BP), and inhibit protein kinase C betaII (PKCbetaII) activation in kidney in an acquired model of metabolic syndrome. Adult male rats were fed 4 different diets: (i) starch (60%) and casein (20%) (CCD), (ii) fructose (60%) and casein (20%) (FCD), (iii) fructose (60%) and soy protein (20%) (FSD), and (iv) starch (60%) and soy protein (20%) (CSD). Renal function parameters, BP, pressor mechanisms, PKCbetaII expression, oxidative stress, and renal histology were evaluated after 60 days. FCD rats displayed insulin resistance and significant changes in body weight, kidney weight, urine volume, plasma and urine electrolytes accompanied by significant changes in renal function parameters compared with CCD rats. Elevated BP, plasma angiotensin-converting enzyme (ACE) activity, renal oxidative stress, and reduced nitrite (NO) and kallikrein activity were observed. Western blot analysis revealed enhanced renal expression of membrane-associated PKCbetaII in the FCD group. Histology showed fatty infiltration and thickening of glomeruli while urinary protein profile revealed a 5-fold increase in albumin. Substitution of soy protein for casein improved insulin sensitivity, lowered BP and PKCbetaII activation and restored renal function. Antioxidant action, inhibitory effect on ACE and PKCbetaII activation, and increased availability of kinins and NO could be contributing mechanisms for the benefits of dietary soy protein.

47 CFR 54.309 - Connect America Fund Phase II Public Interest Obligations.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 47 Telecommunication 3 2014-10-01 2014-10-01 false Connect America Fund Phase II Public Interest Obligations. 54.309 Section 54.309 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON... Connect America Fund Phase II Public Interest Obligations. (a) A price cap carrier electing Phase II model...

Simultaneous biosorption of chromium(VI) and copper(II) on Rhizopus arrhizus in packed column reactor: Application of the competitive Freundlich model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sag, Y.; Atacoglu, I.; Kutsal, T.

1999-12-01

The simultaneous biosorption of Cr(VI) and Cu(II) on free Rhizopus arrhizus in a packed column operated in the continuous mode was investigated and compared to the single metal ion situation. The breakthrough curves were measured as a function of feed flow rate, feed pH, and different combinations of metal ion concentrations in the feed solutions. Column competitive biosorption data were evaluated in terms of the maximum (equilibrium) capacity in the column, the amount of metal loading on the R. arrhizus surface, the adsorption yield, and the total adsorption yield. In the single-ion situation the adsorption isotherms were developed for optimummore » conditions, and it was seen that the adsorption equilibrium data fit the noncompetitive Freundlich model. For the multicomponent adsorption equilibrium the competitive adsorption isotherms were also developed. The competitive Freundlich model for binary metal mixtures represented most the column adsorption equilibrium data of Cr(VI) and Cu(II) on R. arrhizus satisfactorily.« less

Rapid metabolism of exogenous angiotensin II by catecholaminergic neuronal cells in culture media.

PubMed

Basu, Urmi; Seravalli, Javier; Madayiputhiya, Nandakumar; Adamec, Jiri; Case, Adam J; Zimmerman, Matthew C

2015-02-01

Angiotensin II (AngII) acts on central neurons to increase neuronal firing and induce sympathoexcitation, which contribute to the pathogenesis of cardiovascular diseases including hypertension and heart failure. Numerous studies have examined the precise AngII-induced intraneuronal signaling mechanism in an attempt to identify new therapeutic targets for these diseases. Considering the technical challenges in studying specific intraneuronal signaling pathways in vivo, especially in the cardiovascular control brain regions, most studies have relied on neuronal cell culture models. However, there are numerous limitations in using cell culture models to study AngII intraneuronal signaling, including the lack of evidence indicating the stability of AngII in culture media. Herein, we tested the hypothesis that exogenous AngII is rapidly metabolized in neuronal cell culture media. Using liquid chromatography-tandem mass spectrometry, we measured levels of AngII and its metabolites, Ang III, Ang IV, and Ang-1-7, in neuronal cell culture media after administration of exogenous AngII (100 nmol/L) to a neuronal cell culture model (CATH.a neurons). AngII levels rapidly declined in the media, returning to near baseline levels within 3 h of administration. Additionally, levels of Ang III and Ang-1-7 acutely increased, while levels of Ang IV remained unchanged. Replenishing the media with exogenous AngII every 3 h for 24 h resulted in a consistent and significant increase in AngII levels for the duration of the treatment period. These data indicate that AngII is rapidly metabolized in neuronal cell culture media, and replenishing the media at least every 3 h is needed to sustain chronically elevated levels. © 2015 The Authors. Physiological Reports published by Wiley Periodicals, Inc. on behalf of the American Physiological Society and The Physiological Society.

Synthesis, spectroscopic characterization, first order nonlinear optical properties and DFT calculations of novel Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 1,3-diphenyl-4-phenylazo-5-pyrazolone ligand

NASA Astrophysics Data System (ADS)

Abdel-Latif, Samir A.; Mohamed, Adel A.

2018-02-01

Novel Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) metal ions with 1,3-diphenyl-4-phenylazo-5-pyrazolone (L) have been prepared and characterized using different analytical and spectroscopic techniques. 1:1 Complexes of Mn(II), Co(II) and Zn(II) are distorted octahedral whereas Ni(II) complex is square planar and Cu(II) is distorted trigonal bipyramid. 1:2 Complexes of Mn(II), Co(II), Cu(II) and Zn(II) are distorted trigonal bipyramid whereas Ni(II) complex is distorted tetrahedral. All complexes behave as non-ionic in dimethyl formamide (DMF). The electronic structure and nonlinear optical parameters (NLO) of the complexes were investigated theoretically at the B3LYP/GEN level of theory. Molecular stability and bond strengths have been investigated by applying natural bond orbital (NBO) analysis. The geometries of the studied complexes are non-planner. DFT calculations have been also carried out to calculate the global properties; hardness (η), global softness (S) and electronegativity (χ). The calculated small energy gap between HOMO and LUMO energies shows that the charge transfer occurs within the complexes. The total static dipole moment (μtot), the mean polarizability (<α>), the anisotropy of the polarizability (Δα) and the mean first-order hyperpolarizability (<β>) were calculated and compared with urea as a reference material. The complexes show implying optical properties.

Implementing real-time robotic systems using CHIMERA II

NASA Technical Reports Server (NTRS)

Stewart, David B.; Schmitz, Donald E.; Khosla, Pradeep K.

1990-01-01

A description is given of the CHIMERA II programming environment and operating system, which was developed for implementing real-time robotic systems. Sensor-based robotic systems contain both general- and special-purpose hardware, and thus the development of applications tends to be a time-consuming task. The CHIMERA II environment is designed to reduce the development time by providing a convenient software interface between the hardware and the user. CHIMERA II supports flexible hardware configurations which are based on one or more VME-backplanes. All communication across multiple processors is transparent to the user through an extensive set of interprocessor communication primitives. CHIMERA II also provides a high-performance real-time kernel which supports both deadline and highest-priority-first scheduling. The flexibility of CHIMERA II allows hierarchical models for robot control, such as NASREM, to be implemented with minimal programming time and effort.

Syntheses, spectroscopic characterization, thermal study, molecular modeling, and biological evaluation of novel Schiff's base benzil bis(5-amino-1,3,4-thiadiazole-2-thiol) with Ni(II), and Cu(II) metal complexes

NASA Astrophysics Data System (ADS)

Chandra, Sulekh; Gautam, Seema; Rajor, Hament Kumar; Bhatia, Rohit

2015-02-01

Novel Schiff's base ligand, benzil bis(5-amino-1,3,4-thiadiazole-2-thiol) was synthesized by the condensation of benzil and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio. The structure of ligand was determined on the basis of elemental analyses, IR, 1H NMR, mass, and molecular modeling studies. Synthesized ligand behaved as tetradentate and coordinated to metal ion through sulfur atoms of thiol ring and nitrogen atoms of imine group. Ni(II), and Cu(II) complexes were synthesized with this nitrogen-sulfur donor (N2S2) ligand. Metal complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, IR, electronic spectra, EPR, thermal, and molecular modeling studies. All the complexes showed molar conductance corresponding to non-electrolytic nature, expect [Ni(L)](NO3)2 complex, which was 1:2 electrolyte in nature. [Cu(L)(SO4)] complex may possessed square pyramidal geometry, [Ni(L)](NO3)2 complex tetrahedral and rest of the complexes six coordinated octahedral/tetragonal geometry. Newly synthesized ligand and its metal complexes were examined against the opportunistic pathogens. Results suggested that metal complexes were more biological sensitive than free ligand.

Exploring the Latent Structure of the Luria Model for the KABC-II at School Age: Further Insights from Confirmatory Factor Analysis

ERIC Educational Resources Information Center

McGill, Ryan J.

2017-01-01

The present study examined the factor structure of the Luria interpretive model for the Kaufman Assessment Battery for Children-Second Edition (KABC-II) with normative sample participants aged 7-18 (N = 2,025) using confirmatory factor analysis with maximum-likelihood estimation. For the eight subtest Luria configuration, an alternative…

Raman Scattered He II 4332 and Photoionization Model in the Symbiotic Star V1016 Cygni

NASA Astrophysics Data System (ADS)

Lee, H.-W.; Heo, J.-E.; Lee, B.-C.

2014-08-01

Symbiotic stars are wide binary systems of a white dwarf and a mass losing giant. They exhibit unique Raman scattered features as a result of inelastic scattering of far UV line photons by atomic hydrogen. Co-existence of a far UV He II emission region and a thick H I region in symbiotic stars is necessary for the formation of Raman-scattered features blueward of hydrogen Balmer emission lines. Being a single electron atom, He II has the same atomic structure as the hydrogen atom and hence emits far UV emission lines that are slightly blueward of hydrogen Lyman lines. These far UV He II emission lines can be Raman scattered to appear blueward of hydrogen Balmer lines. In particular, the symbiotic star V1016 Cyg is found to exhibit Raman scattered He II 4332 feature in the BOES high resolution spectrum. Our profile fitting of Raman scattered He II 4332 is consistent with the mass loss geometry proposed by Jung & Lee (2004). We use the photoionization code ‘ CLOUDY' to estimate the far UV He II emission lines and make comparisons with the observed Raman scattered He II 4332 blueward of Hγ in the high resolution echelle V1016 Cyg. The emission nebula is assumed to be of uniform density of 108 cm-3 that is illuminated by a black body characterized by its temperature and total luminosity. With our comparisons we conclude that the Raman scattered He II features are consistent with the existence of a photoionized nebula by a hot black body source with temperature 7-8× 104 K with a luminosity 1038erg s-1.

Integrating a Smartphone and Molecular Modeling for Determining the Binding Constant and Stoichiometry Ratio of the Iron(II)-Phenanthroline Complex: An Activity for Analytical and Physical Chemistry Laboratories