Mobilization Protocols for Hybrid Sensors for Environmental AOP Sampling (HySEAS) Observations

NASA Technical Reports Server (NTRS)

Hooker, Stanford B.

2014-01-01

The protocols presented here enable the proper mobilization of the latest-generation instruments for measuring the apparent optical properties (AOPs) of aquatic ecosystems. The protocols are designed for the Hybrid Sensors for Environmental AOP Sampling (HySEAS) class of instruments, but are applicable to the community of practice for AOP measurements. The protocols are organized into eleven sections beyond an introductory overview: a) cables and connectors, b) HySEAS instruments, c) platform preparation, d) instrument installation, e) cable installation, f) test deployment, g) test recovery, h) maintenance, i) shipping, j) storage, and k) smallboat operations. Each section concentrates on documenting how to prevent the most likely faults, remedy them should they occur, and accomplishing both with the proper application of a modest set of useful tools. Within the twelve sections, there are Socratic exercises to stimulate thought, and the answers to these exercises appear in Appendix A. Frequently asked questions (FAQs) are summarized in a separate section after the answers to the exercises in Appendix B. For practitioners unfamiliar with the nautical terms used throughout this document plus others likely encountered at sea, an abbreviated dictionary of nautical terms appears in Appendix C. An abbreviated dictionary of radiotelephone terms is presented in Appendix D. To ensure familiarity with many of the tools that are presented, Appendix E provides a description of the tools alongside a thumbnail picture. Abbreviated deployment checklists and cable diagrams are provided in Appendix F. The document concludes with an acknowledgments section, a glossary of acronyms, a definition of symbols, and a list of references.

Aerosol optical properties at SORPES in Nanjing, east China

NASA Astrophysics Data System (ADS)

Shen, Yicheng; Virkkula, Aki; Ding, Aijun; Wang, Jiaping; Chi, Xuguang; Nie, Wei; Qi, Ximeng; Huang, Xin; Liu, Qiang; Zheng, Longfei; Xu, Zheng; Petäjä, Tuukka; Aalto, Pasi P.; Fu, Congbin; Kulmala, Markku

2018-04-01

Aerosol optical properties (AOPs) and supporting parameters - particle number size distributions, PM2.5 mass concentrations, and the concentrations of trace gases (NOx and NOy) - were measured at SORPES, a regional background station in Nanjing, China from June 2013 to May 2015. The aerosol was highly scattering: the average scattering coefficient was σsp = 403 ± 314 Mm-1, the absorption coefficient σap = 26 ± 19 Mm-1, and the single-scattering albedo SSA = 0.93 ± 0.03 for green light. The SSA in Nanjing appears to be slightly higher than published values from several other sites in China and elsewhere. The average Ångström exponent of absorption (AAE) for the wavelength range 370-950 nm was 1.04 and the AAE range was 0.7-1.4. These AAE values can be explained with different amounts of non-absorbing coating on pure black carbon (BC) cores and different core sizes rather than contribution by brown carbon. The AOPs had typical seasonal cycles with high σsp and σap in winter and low ones in summer: the averages were σsp = 544 ± 422 and σap = 36 ± 24 Mm-1 in winter and σsp = 342 ± 281 and σap = 20 ± 13 Mm-1 in summer. The intensive AOPs had no clear seasonal cycles, the variations in them were rather related to the evolution of pollution episodes. The diurnal cycles of the intensive AOPs were clear and in agreement with the cycle of the particle number size distribution. The diurnal cycle of SSA was similar to that of the air photochemical age, suggesting that the darkest aerosol originated from fresh traffic emissions. A Lagrangian retroplume analysis showed that the potential source areas of high σsp and σap are mainly in eastern China. Synoptic weather phenomena dominated the cycle of AOPs on a temporal scale of 3-7 days. During pollution episodes, modeled boundary layer height decreased, whereas PM2.5 concentrations and σsp and σap typically increased gradually and remained high during several days but decreased faster, sometimes by even more than an order of magnitude within some hours. During the growth phase of the pollution episodes the intensive AOPs evolved clearly. The mass scattering efficiency MSE of PM2.5 grew during the extended pollution episodes from ˜ 4 to ˜ 6 m2 g-1 and the mass fraction of BCe decreased from ˜ 10 to ˜ 3 % during the growth phase of the episodes. Particle growth resulted in the backscatter fraction decreasing from more than 0.16 to less than 0.10, SSA growing from less than 0.9 to more than 0.95, and radiative forcing efficiency (RFE) changing from less than -26 W m-2 to more than -24 W m-2, which means that the magnitude of RFE decreased. The RFE probability distribution at SORPES was clearly narrower than at a clean background site which is in agreement with a published RFE climatology.

Design and implementation of optical switches based on nonlinear plasmonic ring resonators: Circular, square and octagon

NASA Astrophysics Data System (ADS)

Ghadrdan, Majid; Mansouri-Birjandi, Mohammad Ali

2018-05-01

In this paper, all-optical plasmonic switches (AOPS) based on various configurations of circular, square and octagon nonlinear plasmonic ring resonators (NPRR) were proposed and numerically investigated. Each of these configurations consisted of two metal-insulator-metal (MIM) waveguides coupled to each other by a ring resonator (RR). Nonlinear Kerr effect was used to show switching performance of the proposed NPRR. The result showed that the octagon switch structure had lower threshold power and higher transmission ratio than square and circular switch structures. The octagon switch structure had a low threshold power equal to 7.77 MW/cm2 and the high transmission ratio of approximately 0.6. Therefore, the octagon switch structure was an appropriate candidate to be applied in optical integration circuits as an AOPS.

Apparent optical properties of the Canadian Beaufort Sea - Part 1: Observational overview and water column relationships

NASA Astrophysics Data System (ADS)

Antoine, D.; Hooker, S. B.; Bélanger, S.; Matsuoka, A.; Babin, M.

2013-07-01

A data set of radiometric measurements collected in the Beaufort Sea (Canadian Arctic) in August 2009 (Malina project) is analyzed in order to describe apparent optical properties (AOPs) in this sea, which has been subject to dramatic environmental changes for several decades. The two properties derived from the measurements are the spectral diffuse attenuation coefficient for downward irradiance, Kd, and the spectral remote sensing reflectance, Rrs. The former controls light propagation in the upper water column. The latter determines how light is backscattered out of the water and becomes eventually observable from a satellite ocean color sensor. The data set includes offshore clear waters of the Beaufort Basin as well as highly turbid waters of the Mackenzie River plumes. In the clear waters, we show Kd values that are much larger in the ultraviolet and blue parts of the spectrum than what could be anticipated considering the chlorophyll concentration. A larger contribution of absorption by colored dissolved organic matter (CDOM) is responsible for these high Kd values, as compared to other oligotrophic areas. In turbid waters, attenuation reaches extremely high values, driven by high loads of particulate materials and also by a large CDOM content. In these two extreme types of waters, current satellite chlorophyll algorithms fail. This questions the role of ocean color remote sensing in the Arctic when Rrs from only the blue and green bands are used. Therefore, other parts of the spectrum (e.g., the red) should be explored if one aims at quantifying interannual changes in chlorophyll in the Arctic from space. The very peculiar AOPs in the Beaufort Sea also advocate for developing specific light propagation models when attempting to predict light availability for photosynthesis at depth.

Apparent optical properties of the Canadian Beaufort Sea - Part 1: Observational overview and water column relationships

NASA Astrophysics Data System (ADS)

Antoine, D.; Hooker, S. B.; Belanger, S.; Matsuoka, A.; Babin, M.

2013-03-01

A data set of radiometric measurements collected in the Beaufort Sea (Canadian Arctic) in August 2009 (MALINA project) is analysed in order to describe apparent optical properties (AOPs) in this sea, which is subject to dramatic environmental changes for several decades. The two properties derived from the measurements are the spectral diffuse attenuation coefficient for downward irradiance, Kd, and the spectral remote sensing reflectance, Rrs. The former controls light propagation in the upper water column. The latter determines how light is backscattered out of the water and becomes eventually observable from a satellite ocean colour sensor. The data set includes offshore clear waters of the Beaufort basin as well as highly turbid waters of the Mackenzie River plumes. In the clear waters, we show Kd values that are much larger in the ultraviolet and blue parts of the spectrum than what could be anticipated considering the chlorophyll concentration. A larger contribution of absorption by coloured dissolved organic matter (CDOM) is responsible for this high Kd values, as compared to other oligotrophic areas. In turbid waters, attenuation reaches extremely high values, driven by high loads of particulate materials and also by a large CDOM content. In these two extreme types of waters, current satellite chlorophyll algorithms fail. This is questioning the role of ocean colour remote sensing in the Arctic when Rrs from only the blue and green bands are used. Therefore, other parts of the spectrum (e.g. the red) should be explored if one aims at quantifying interannual changes in chlorophyll in the Arctic from space. The very peculiar AOPs in the Beaufort Sea also advocate for developing specific light propagation models when attempting to predict light availability for photosynthesis at depth.

Improvement of Aerosol Optical Depth Retrieval from MODIS Spectral Reflectance over the Global Ocean Using New Aerosol Models Archived from AERONET Inversion Data and Tri-axial Ellipsoidal Dust Database

NASA Technical Reports Server (NTRS)

Lee, J.; Kim, J.; Yang, P.; Hsu, N. C.

2012-01-01

New over-ocean aerosol models are developed by integrating the inversion data from the Aerosol Robotic Network (AERONET) sun/sky radiometers with a database for the optical properties of tri-axial ellipsoid particles. The new aerosol models allow more accurate retrieval of aerosol optical depth (AOD) from the Moderate Resolution Imaging Spectroradiometer (MODIS) in the case of high AOD (AOD greater than 0.3). The aerosol models are categorized by using the fine-mode fraction (FMF) at 550 nm and the singlescattering albedo (SSA) at 440 nm from the AERONET inversion data to include a variety of aerosol types found around the globe. For each aerosol model, the changes in the aerosol optical properties (AOPs) as functions of AOD are considered to better represent aerosol characteristics. Comparisons of AODs between AERONET and MODIS for the period from 2003 to 2010 show that the use of the new aerosol models enhances the AOD accuracy with a Pearson coefficient of 0.93 and a regression slope of 0.99 compared to 0.92 and 0.85 calculated using the MODIS Collection 5 data. Moreover, the percentage of data within an expected error of +/-(0.03 + 0.05xAOD) is increased from 62 percent to 64 percent for overall data and from 39 percent to 51 percent for AOD greater than 0.3. Errors in the retrieved AOD are further characterized with respect to the Angstrom exponent (AE), scattering angle, SSA, and air mass factor (AMF). Due to more realistic AOPs assumptions, the new algorithm generally reduces systematic errors in the retrieved AODs compared with the current operational algorithm. In particular, the underestimation of fine-dominated AOD and the scattering angle dependence of dust-dominated AOD are significantly mitigated as results of the new algorithm's improved treatment of aerosol size distribution and dust particle nonsphericity.

The Methodology Applied in DPPH, ABTS and Folin-Ciocalteau Assays Has a Large Influence on the Determined Antioxidant Potential.

PubMed

Abramovič, Helena; Grobin, Blaž; Poklar, Nataša; Cigić, Blaž

2017-06-01

Antioxidant potential (AOP) is not only the property of the matrix analyzed but also depends greatly on the methodology used. The chromogenic radicals 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS•+), 2,2-diphenyl-1-picrylhydrazyl (DPPH•) and Folin-Ciocalteu (FC) assay were applied to estimate how the method and the composition of the assay solvent influence the AOP determined for coffee, tea, beer, apple juice and dietary supplements. Large differences between the AOP values depending on the reaction medium were observed, with the highest AOP determined mostly in the FC assay. In reactions with chromogenic radicals several fold higher values of AOP were obtained in buffer pH 7.4 than in water or methanol. The type of assay and solvent composition have similar influences on the reactivity of a particular antioxidant, either pure or as part of a complex matrix. The reaction kinetics of radicals with antioxidants in samples reveals that AOP depends strongly on incubation time, yet differently for each sample analyzed and the assay applied.

Remote Sensing of Ocean Color in the Arctic: Algorithm Development and Comparative Validation. Chapter 9

NASA Technical Reports Server (NTRS)

Cota, Glenn F.

2001-01-01

The overall goal of this effort is to acquire a large bio-optical database, encompassing most environmental variability in the Arctic, to develop algorithms for phytoplankton biomass and production and other optically active constituents. A large suite of bio-optical and biogeochemical observations have been collected in a variety of high latitude ecosystems at different seasons. The Ocean Research Consortium of the Arctic (ORCA) is a collaborative effort between G.F. Cota of Old Dominion University (ODU), W.G. Harrison and T. Platt of the Bedford Institute of Oceanography (BIO), S. Sathyendranath of Dalhousie University and S. Saitoh of Hokkaido University. ORCA has now conducted 12 cruises and collected over 500 in-water optical profiles plus a variety of ancillary data. Observational suites typically include apparent optical properties (AOPs), inherent optical property (IOPs), and a variety of ancillary observations including sun photometry, biogeochemical profiles, and productivity measurements. All quality-assured data have been submitted to NASA's SeaWIFS Bio-Optical Archive and Storage System (SeaBASS) data archive. Our algorithm development efforts address most of the potential bio-optical data products for the Sea-Viewing Wide Field-of-view Sensor (SeaWiFS), Moderate Resolution Imaging Spectroradiometer (MODIS), and GLI, and provides validation for a specific areas of concern, i.e., high latitudes and coastal waters.

The validation of the Yonsei CArbon Retrieval algorithm with improved aerosol information using GOSAT measurements

NASA Astrophysics Data System (ADS)

Jung, Yeonjin; Kim, Jhoon; Kim, Woogyung; Boesch, Hartmut; Goo, Tae-Young; Cho, Chunho

2017-04-01

Although several CO2 retrieval algorithms have been developed to improve our understanding about carbon cycle, limitations in spatial coverage and uncertainties due to aerosols and thin cirrus clouds are still remained as a problem for monitoring CO2 concentration globally. Based on an optimal estimation method, the Yonsei CArbon Retrieval (YCAR) algorithm was developed to retrieve the column-averaged dry-air mole fraction of carbon dioxide (XCO2) using the Greenhouse Gases Observing SATellite (GOSAT) measurements with optimized a priori CO2 profiles and aerosol models over East Asia. In previous studies, the aerosol optical properties (AOP) are the most important factors in CO2 retrievals since AOPs are assumed as fixed parameters during retrieval process, resulting in significant XCO2 retrieval error up to 2.5 ppm. In this study, to reduce these errors caused by inaccurate aerosol optical information, the YCAR algorithm improved with taking into account aerosol optical properties as well as aerosol vertical distribution simultaneously. The CO2 retrievals with two difference aerosol approaches have been analyzed using the GOSAT spectra and have been evaluated throughout the comparison with collocated ground-based observations at several Total Carbon Column Observing Network (TCCON) sites. The improved YCAR algorithm has biases of 0.59±0.48 ppm and 2.16±0.87 ppm at Saga and Tsukuba sites, respectively, with smaller biases and higher correlation coefficients compared to the GOSAT operational algorithm. In addition, the XCO2 retrievals will be validated at other TCCON sites and error analysis will be evaluated. These results reveal that considering better aerosol information can improve the accuracy of CO2 retrieval algorithm and provide more useful XCO2 information with reduced uncertainties. This study would be expected to provide useful information in estimating carbon sources and sinks.

Apparent Optical Properties in Waters Influenced by the Mississippi River

NASA Technical Reports Server (NTRS)

D'Sa, E.; Miller, R. L.; McKee, B. A.; Trzaska, R.

2002-01-01

In-water downwelling irradiance (E(sub d)) and upwelling radiance (L(sub u)) were measured in coastal waters influenced by the Mississippi River at wavelengths corresponding to SeaWiFS spectral bands in April of 2000. Results of derived apparent optical properties (AOP's) such as spectral diffise attenuation coefficient for downwelling irradiance (K(sub d)) suggest that they are mainly influenced by phytoplankton chlorophyll. Large variations in chlorophyll concentrations (0.2 to greater than 10 mg per cubic meters) correspond to variations in K(sub d) at 443 nm ranging from about 0.1 to greater than 1.5 per meter. Attenuation values at 443 nm generally peaked (or were minimal at 555 nm) at depths where chlorophyll concentrations were high. Above water remote sensing reflectance R(sub rs) (443) derived from E(sub d) and L(sub u) shows good agreement to surface chlorophyll. Ratios of remote sensing reflectance, R(sub rs)(443/R(sub rs)(555)versus chlorophyll suggests a potential for obtaining a suitable bio-optical algorithm for the region influenced by the Mississippi River.

A Porphyromonas gingivalis Periplasmic Novel Exopeptidase, Acylpeptidyl Oligopeptidase, Releases N-Acylated Di- and Tripeptides from Oligopeptides*

PubMed Central

Nemoto, Takayuki K.; Ohara-Nemoto, Yuko; Bezerra, Gustavo Arruda; Shimoyama, Yu; Kimura, Shigenobu

2016-01-01

Exopeptidases, including dipeptidyl- and tripeptidylpeptidase, are crucial for the growth of Porphyromonas gingivalis, a periodontopathic asaccharolytic bacterium that incorporates amino acids mainly as di- and tripeptides. In this study, we identified a novel exopeptidase, designated acylpeptidyl oligopeptidase (AOP), composed of 759 amino acid residues with active Ser615 and encoded by PGN_1349 in P. gingivalis ATCC 33277. AOP is currently listed as an unassigned S9 family peptidase or prolyl oligopeptidase. Recombinant AOP did not hydrolyze a Pro-Xaa bond. In addition, although sequence similarities to human and archaea-type acylaminoacyl peptidase sequences were observed, its enzymatic properties were apparently distinct from those, because AOP scarcely released an N-acyl-amino acid as compared with di- and tripeptides, especially with N-terminal modification. The kcat/Km value against benzyloxycarbonyl-Val-Lys-Met-4-methycoumaryl-7-amide, the most potent substrate, was 123.3 ± 17.3 μm−1 s−1, optimal pH was 7–8.5, and the activity was decreased with increased NaCl concentrations. AOP existed predominantly in the periplasmic fraction as a monomer, whereas equilibrium between monomers and oligomers was observed with a recombinant molecule, suggesting a tendency of oligomerization mediated by the N-terminal region (Met16–Glu101). Three-dimensional modeling revealed the three domain structures (residues Met16–Ala126, which has no similar homologue with known structure; residues Leu127–Met495 (β-propeller domain); and residues Ala496–Phe736 (α/β-hydrolase domain)) and further indicated the hydrophobic S1 site of AOP in accord with its hydrophobic P1 preference. AOP orthologues are widely distributed in bacteria, archaea, and eukaryotes, suggesting its importance for processing of nutritional and/or bioactive oligopeptides. PMID:26733202

Adverse Outcome Pathways – Organizing Toxicological ...

EPA Pesticide Factsheets

The number of chemicals for which environmental regulatory decisions are required far exceeds the current capacity for toxicity testing. High throughput screening (HTS) commonly used for drug discovery has the potential to increase this capacity. The adverse outcome pathway (AOP) concept has emerged as a natural framework for connecting high throughput toxicity testing (HTT) results to potential impacts on humans and wildlife populations. An AOP consists of two main components that describe the biological mechanisms driving toxicity. Key events represent biological processes essential for causing the adverse outcome that are also measurable experimentally. Key event relationships capture the biological processes connecting the key events. Evidence documented for each KER based on measurements of the KEs can provide the confidence needed for extrapolating HTT from early key events to overt toxicity represented by later key events based on the AOP. The IPCS mode of action (MOA) framework incorporates information required for making a chemical-specific toxicity determination. Given the close relationship between the AOP and MOA frameworks, it is possible to assemble an MOA by incorporating HTT results, chemical properties including absorption, distribution, metabolism, and excretion (ADME), and an AOP describing the biological basis of toxicity thereby streamlining the process. While current applications focus on the assessment of risk for environmental chemicals,

Advanced Oxidation Processes: Process Mechanisms, Affecting Parameters and Landfill Leachate Treatment.

PubMed

Su-Huan, Kow; Fahmi, Muhammad Ridwan; Abidin, Che Zulzikrami Azner; Soon-An, Ong

2016-11-01

  Advanced oxidation processes (AOPs) are of special interest in treating landfill leachate as they are the most promising procedures to degrade recalcitrant compounds and improve the biodegradability of wastewater. This paper aims to refresh the information base of AOPs and to discover the research gaps of AOPs in landfill leachate treatment. A brief overview of mechanisms involving in AOPs including ozone-based AOPs, hydrogen peroxide-based AOPs and persulfate-based AOPs are presented, and the parameters affecting AOPs are elaborated. Particularly, the advancement of AOPs in landfill leachate treatment is compared and discussed. Landfill leachate characterization prior to method selection and method optimization prior to treatment are necessary, as the performance and practicability of AOPs are influenced by leachate matrixes and treatment cost. More studies concerning the scavenging effects of leachate matrixes towards AOPs, as well as the persulfate-based AOPs in landfill leachate treatment, are necessary in the future.

The adverse outcome pathway knowledge base

EPA Science Inventory

The rapid advancement of the Adverse Outcome Pathway (AOP) framework has been paralleled by the development of tools to store, analyse, and explore AOPs. The AOP Knowledge Base (AOP-KB) project has brought three independently developed platforms (Effectopedia, AOP-Wiki, and AOP-X...

Extended depth of focus contact lenses vs. two commercial multifocals: Part 1. Optical performance evaluation via computed through-focus retinal image quality metrics.

PubMed

Bakaraju, Ravi C; Ehrmann, Klaus; Ho, Arthur

To compare the computed optical performance of prototype lenses designed using deliberate manipulation of higher-order spherical aberrations to extend depth-of-focus (EDOF) with two commercial multifocals. Emmetropic, presbyopic, schematic eyes were coupled with prototype EDOF and commercial multifocal lenses (Acuvue Oasys for presbyopia, AOP, Johnson & Johnson & Air Optix Aqua multifocal, AOMF, Alcon). For each test configuration, the through-focus retinal image quality (TFRIQ) values were computed over 21 vergences, ranging from -0.50 to 2.00D, in 0.125D steps. Analysis was performed considering eyes with three different inherent aberration profiles: five different pupils and five different lens decentration levels. Except the LOW design, the AOP lenses offered 'bifocal' like TFRIQ performance. Lens performance was relatively independent to pupil and aberrations but not centration. Contrastingly, AOMF demonstrated distance centric performance, most dominant in LOW followed by MED and HIGH designs. AOMF lenses were the most sensitive to pupil, aberrations and centration. The prototypes demonstrated a 'lift-off' in the TFRIQ performance, particularly at intermediate and near, without trading performance at distance. When compared with AOP and AOMF, EDOF lenses demonstrated reduced sensitivity to pupil, aberrations and centration. With the through focus retinal image quality as the gauge of optical performance, we demonstrated that the prototype EDOF designs were less susceptible to variations in pupil, inherent ocular aberrations and decentration, compared to the commercial designs. To ascertain whether these incremental improvements translate to a clinically palpable outcome requires investigation through human trials. Copyright © 2017 Spanish General Council of Optometry. Published by Elsevier España, S.L.U. All rights reserved.

Cryogenic Optical Refrigeration

DTIC Science & Technology

2012-03-22

Applications of Laser Cooling of Solids, 1st ed. (Wiley-VCH, 2009). 12. M. Sheik- Bahae and R. I . Epstein, “Optical refrigeration,” Nat. Photonics 1(12), 693–699...2007). Advances in Optics and Photonics 4, 78–107 (2012) doi:10.1364/AOP.4.000078 99 13. M. Sheik- Bahae and R. I . Epstein, “Laser cooling of solids...Sheik- Bahae and R. I . Epstein, “Can laser light cool semiconductors,” Phys. Rev. Lett. 92(24), 247403 (2004). 18. P. Asbeck, “Self-absorption effects

A Workflow to Investigate Exposure and Pharmacokinetic ...

EPA Pesticide Factsheets

Background: Adverse outcome pathways (AOPs) link adverse effects in individuals or populations to a molecular initiating event (MIE) that can be quantified using in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires incorporation of knowledge on exposure, along with absorption, distribution, metabolism, and excretion (ADME) properties of chemicals.Objectives: We developed a conceptual workflow to examine exposure and ADME properties in relation to an MIE. The utility of this workflow was evaluated using a previously established AOP, acetylcholinesterase (AChE) inhibition.Methods: Thirty chemicals found to inhibit human AChE in the ToxCast™ assay were examined with respect to their exposure, absorption potential, and ability to cross the blood–brain barrier (BBB). Structures of active chemicals were compared against structures of 1,029 inactive chemicals to detect possible parent compounds that might have active metabolites.Results: Application of the workflow screened 10 “low-priority” chemicals of 30 active chemicals. Fifty-two of the 1,029 inactive chemicals exhibited a similarity threshold of ≥ 75% with their nearest active neighbors. Of these 52 compounds, 30 were excluded due to poor absorption or distribution. The remaining 22 compounds may inhibit AChE in vivo either directly or as a result of metabolic activation.Conclusions: The incorporation of exposure and ADME properties into the conceptual workflow e

A workflow to investigate exposure and pharmacokinetic ...

EPA Pesticide Factsheets

Adverse outcome pathways (AOP) link known population outcomes to a molecular initiating event (MIE) that can be quantified using high-throughput in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires consideration of exposure and absorption, distribution, metabolism, excretion (ADME) properties of chemicals. We developed a conceptual workflow to consider exposure and ADME properties in relationship to an MIE and demonstrated the utility of this workflow using a previously established AOP, acetylcholinesterase (AChE) inhibition. Thirty active chemicals found to inhibit AChE in the ToxCastTM assay were examined with respect to their exposure and absorption potentials, and their ability to cross the blood-brain barrier. Structural similarities of active compounds were compared against structures of inactive compounds to detect possible non-active parents that might have active metabolites. Fifty-two of the 1,029 inactive compounds exhibited a similarity threshold above 75% with their nearest active neighbors. Excluding compounds that may not be absorbed, 22 could be potentially toxic following metabolism. The incorporation of exposure and ADME properties into the conceptual workflow resulted in prioritization of 20 out of 30 active compounds identified in an AChE inhibition assay for further analysis, along with identification of several inactive parent compounds of active metabolites. This qualitative approach can minimize co

Accelerating Adverse Outcome Pathway Development Using ...

EPA Pesticide Factsheets

The adverse outcome pathway (AOP) concept links molecular perturbations with organism and population-level outcomes to support high-throughput toxicity testing. International efforts are underway to define AOPs and store the information supporting these AOPs in a central knowledgebase, however, this process is currently labor-intensive and time-consuming. Publicly available data sources provide a wealth of information that could be used to define computationally-predicted AOPs (cpAOPs), which could serve as a basis for creating expert-derived AOPs in a much more efficient way. Computational tools for mining large datasets provide the means for extracting and organizing the information captured in these public data sources. Using cpAOPs as a starting point for expert-derived AOPs should accelerate AOP development. Coupling this with tools to coordinate and facilitate the expert development efforts will increase the number and quality of AOPs produced, which should play a key role in advancing the adoption of twenty-first century toxicity testing strategies. This review article describes how effective knowledge management and automated approaches to AOP development can enhance and accelerate the development and use of AOPs. As the principles documented in this review are put into practice, we anticipate that the quality and quantity of AOPs available will increase substantially. This, in turn, will aid in the interpretation of ToxCast and other high-throughput tox

Current Status and Future Plans of the NEON Airborne Observation Platform (AOP): Data Products, Observatory Requirements and Opportunities for the Community

NASA Astrophysics Data System (ADS)

Petroy, S. B.; Leisso, N.; Goulden, T.; Gulbransen, T.

2016-12-01

The National Ecological Observatory Network (NEON) is a continental-scale ecological observation platform designed to collect and disseminate data that contributes to understanding and forecasting the impacts of climate change, land use change, and invasive species on ecology. NEON will collect in-situ and airborne data over 81 sites across the US, including Alaska, Hawaii, and Puerto Rico. The Airborne Observation Platform (AOP) group within the NEON project operates a payload suite that includes a waveform LiDAR, imaging spectrometer (NIS) and high resolution RGB camera. Data from this sensor suite will be collected annually over each site and processed into a set of standard data products, generally following the processing levels used by NASA (Level 1 through Level 3). We will present a summary of the first operational flight campaign (2016), where AOP flew 42 of the 81 planned NEON sites, our operational plans for 2017, and how we will ramp up to full operations by 2018. We will also describe the final set of AOP data products to be delivered as part of NEON construction and those field (observational) data products collected concurrently on the ground, that may be used to support validation efforts of algorithms for deriving vegetation characteristics from airborne data (e.g. Plant foliar physical/chemical properties, Digital Hemispherical Photos, Plant Diversity, etc.). Opportunities for future enhancements to data products or algorithms will be facilitated via NEON's cyberinfrastructure, which is designed to support wrapping/integration of externally-developed code. And finally, we will present NEON's plans for the third AOP Sensor Suite as an assignable asset and the intent of NSF to provide research opportunities to the community for developing higher level AOP data products that were removed from the NEON project in 2015.

Evolution of molecular weight and fluorescence of effluent organic matter (EfOM) during oxidation processes revealed by advanced spectrographic and chromatographic tools.

PubMed

Chen, Zhiqiang; Li, Mo; Wen, Qinxue; Ren, Nanqi

2017-11-01

Effluent organic matter (EfOM) is an emerging concern to receiving aquatic environment due to its refractory property. The degradation of EfOM in ozonation and other two advanced oxidation processes (AOPs), UV/H 2 O 2 and UV/persulfate (PS), was investigated in this study. Fluorescence spectra coupled with parallel factor analysis (PARAFAC) and two-dimensional correlation gel permeation chromatography (2D-GPC) were used to track the evolution of EfOM during each oxidation process. Results showed that the degradation of EfOM indicated by dissolved organic carbon (DOC), UV 254 and fluorescence components, fitted well with pseudo-first-order kinetic model during the oxidation processes. Ozonation showed higher degradation efficiency than AOPs, while UV/PS was more effective than UV/H 2 O 2 with equimolar oxidants dosage. Ozone and SO· 4 - were more reactive with terrestrial humic-like substances, while hydroxyl radical preferentially reacted with protein-like substances. Organic molecules with higher molecular weight (MW) were susceptible to ozone or radicals. Ozonation could transform higher MW (MW of 3510 and 575) organic matters into lower MW organic matters (MW of 294), while reductions of all the organics were observed in both AOPs. Due to the higher reaction rates between ozone and EfOM, ozonation maybe serve as a pre-treatment for AOPs to reduce the radical and energy consumption and improve mineralization of EfOM by AOPs. The decline in DOC, UV 254 , fluorescence and reduction in oxidants increased with the increase of oxidants dosage, and linear correlations among them were found during the ozonation and AOPs. Copyright © 2017. Published by Elsevier Ltd.

THE ADVERSE OUTCOME PATHWAY (AOP) FRAMEWORK ...

EPA Pesticide Factsheets

An Adverse Outcome Pathway (AOP) represents the organization of current and newly acquired knowledge of biological pathways. These pathways contain a series of nodes (Key Events, KEs) that when sufficiently altered influence the next node on the pathway, beginning from an Molecular Initiating Event (MIE), through intermediate KEs, ending in an Adverse Outcome (AO) which may be used as a basis for decision making. A KE is a measurable biological change, and is linked with other KEs via Key Event Relationships (KERs). A given KE may be involved in several AOPs, leading to a plausible network of biological changes that are involved in an organism’s response to an external stressor. When describing an AOP, five guiding principles have been proposed [1]: 1) an AOP is not specific to a single external stressor, 2) AOPs are modular, with KEs and KERs that can be used in several AOPs, 3) a single AOP is the unit of development, 4) most biological responses will be the result of networks of AOPs, and 5) AOPs will be modified as more biological knowledge becomes available. The collaborative development of AOPs is recommended to be performed using the AOP-Wiki (https://aopwiki.org), which is an effort between the European Commission – DG Joint Research Centre (JRC) and U.S. Environmental Protection Agency (EPA). The Wiki is one part of a larger OECD-sponsored AOP Knowledgebase effort, which is a repository for all AOPs developed as part of the Organization for Economic

AOP-DB Frontend: A user interface for the Adverse Outcome Pathways Database.

EPA Science Inventory

The EPA Adverse Outcome Pathway Database (AOP-DB) is a database resource that aggregates association relationships between AOPs, genes, chemicals, diseases, pathways, species orthology information, ontologies. The AOP-DB frontend is a simple yet powerful AOP-DB user interface in...

Practical approaches to adverse outcome pathway (AOP) ...

EPA Pesticide Factsheets

Adverse Outcome Pathways (AOPs) describe toxicant effects as a sequential chain of causally linked events beginning with a molecular perturbation and culminating in an adverse outcome at an individual or population level. Strategies for developing AOPs are still evolving and depend largely on the intended use or motivation for development. Four ecological AOP case studies, which were developed for different purposes, are described herein. In each situation, creation of the AOP began in a manner determined by the initial motivation for its creation, and expanded either to include additional components of the pathway, or to address the domains of applicability in terms of chemical initiators, susceptible species, life stages, etc. From these case studies, some general strategies can be gleaned which a developer may find useful for supporting an existing AOP or creating a new one. Several web-based tools which can aid in AOP assembly, as well as evaluation of weight of evidence for scientific robustness of AOP components are highlighted. The need for AOP development and greater population of AOPs in the online knowledgebase has been widely recognized (e.g., OECD Project 1.29, Knapen et al 2015, Escher et al 2016; Groh et al 2015), but currently there are few AOP developers. To promote broader development of AOPs, and the inclusion of potential developers across various types of institutes and fields of study, this manuscript outlines strategies for initiating

Developing putative AOPs from high content dataDeveloping putative AOPs from high content dataDeveloping putative AOPs from high content dataDeveloping putative AOPs from high content data

EPA Science Inventory

Developing putative AOPs from high content data Shannon M. Bell1,2, Stephen W. Edwards2 1 Oak Ridge Institute for Science and Education 2 Integrated Systems Toxicology Division, National Health and Environmental Effects Research Laboratory, Office of Research and Development,...

Adverse Outcome Pathways – Tailoring Development to Support Use

EPA Science Inventory

Adverse Outcome Pathways (AOPs) represent an ideal framework for connecting high-throughput screening (HTS) data and other toxicity testing results to adverse outcomes of regulatory importance. The AOP Knowledgebase (AOP-KB) captures AOP information to facilitate the development,...

One pot synthesis of nanosized anion doped TiO2: Effect of irradiation of sound waves on surface morphology and optical properties

NASA Astrophysics Data System (ADS)

Sharotri, Nidhi; Sud, Dhiraj

2015-08-01

Commercialization of AOP's for remediation of pollutants from environmental matrix required the process to be operated by solar light. Semiconductor TiO2 has emerged as an effective and preferred photocatalyst in the field of environmental photocatalysis due to its; (i) biological and chemical inertness (ii) resistance to chemical and photo corrosion, (iii) can absorb natural UV light due to appropriate energetic separation between its valence and conduction band. However, unfortunately the optical band gap of TiO2 (3.0-3.23 eV) with absorption cut off ˜ 380 nm, enables it to harness only a small fraction (˜ 5%) of the entire solar spectrum. One of the current areas of research is modification of TiO2 photocatalyst. In present paper one pot greener synthesis from titanium isopropoxide and hydroxylamine hydrochloride has been used as titanium and nitrogen precursor under ultrasonic waves. The as synthesized TiO2 nanomaterials were dried at 100°C and further calcinated at different temperatures. The effect of reaction parameters such as ultrasonication time on the yield, surface morphology, spectroscopic data and optical properties was also investigated. The results confirm that the anatase phase is a main phase with a crystallite size of 35-77 nm and the calculated band gap of nanomaterials varies from 2.10-3.1 eV.

Erratum: Correction to: Polarisation vision: overcoming challenges of working with a property of light we barely see

NASA Astrophysics Data System (ADS)

Foster, James J.; Temple, Shelby E.; How, Martin J.; Daly, Ilse M.; Sharkey, Camilla R.; Wilby, David; Roberts, Nicholas W.

2018-06-01

In "Polarisation vision: overcoming challenges of working with a property of light we barely see" (Foster et al. 2018) we provide a basic description of how Stokes parameters can be estimated and used to calculate the angle of polarisation (AoP).

Refinement of Protocols for Measuring the Apparent Optical Properties of Seawater. Chapter 8

NASA Technical Reports Server (NTRS)

Hooker, Stanford B.; Zibordi, Giuseppe; Berthon, Jean-Francois; Nirek, Andre; Antoine, David

2003-01-01

Ocean color satellite missions, like the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) or the Moderate Resolution Imaging Spectroradiometer (MODIS) projects, are tasked with acquiring a global ocean color data set, validating and monitoring the accuracy and quality of the data, processing the radiometric data into geophysical units using a set of atmospheric and bio-optical algorithms, and distributing the final products to the scientific community. The long-standing requirement of the SeaWiFS Project, for example, is to produce spectral water-leaving radiances, LW(lambda), to within 5% absolute (lambda denotes wavelength) and chlorophyll a concentrations to within 35% (Hooker and Esaias 1993), and most ocean color sensors have the same or similar requirements. Although a diverse set of activities are required to ensure the accuracy requirements are met (Hooker and McClain 2000), the perspective here is with field observations. The accurate determination of upper ocean apparent optical properties (AOPs) is essential for the vicarious calibration of ocean color data and the validation of the derived data products, because the sea-truth measurements are used to evaluate the satellite observations (Hooker and McClain 2000). The uncertainties with in situ AOP measurements have various sources: a) the sampling procedures used in the field, including the environmental conditions encountered; b) the absolute characterization of the radiometers in the laboratory; c) the conversion of the light signals to geophysical units in a processing scheme, and d) the stability of the radiometers in the harsh environment they are subjected to during transport and use. Assuming ideal environmental conditions, so this aspect can be neglected, the SeaWiFS ground-truth uncertainty budget can only be satisfied if each uncertainty is on the order of 1-2%, or what is generally referred to as 1% radiometry. In recent years, progress has been made in estimating the magnitude of some of these uncertainties and in defining procedures for minimizing them. For the SeaWiFS Project, the first step was to convene a workshop to draft the SeaWiFS Ocean Optics Protocols (hereafter referred to as the Protocols). The Protocols initially adhered to the Joint Global Ocean Flux Study (JGOFS) sampling procedures (JGOFS 1991) and defined the standards for optical measurements to be used in SeaWiFS calibration and validation activities (Mueller and Austin 1992). Over time, the Protocols were revised (Mueller and Austin 1995), and then recurringly updated on essentially an annual basis (Mueller 2000, 2002, and 2003) as part of the Sensor Inter-comparison and Merger for Biological and Interdisciplinary Oceanic Studies (SIMBIOS) project. 98

Applicability of fluidized bed reactor in recalcitrant compound degradation through advanced oxidation processes: a review.

PubMed

Tisa, Farhana; Abdul Raman, Abdul Aziz; Wan Daud, Wan Mohd Ashri

2014-12-15

Treatment of industrial waste water (e.g. textile waste water, phenol waste water, pharmaceutical etc) faces limitation in conventional treatment procedures. Advanced oxidation processes (AOPs) do not suffer from the limits of conventional treatment processes and consequently degrade toxic pollutants more efficiently. Complexity is faced in eradicating the restrictions of AOPs such as sludge formation, toxic intermediates formation and high requirement for oxidants. Increased mass-transfer in AOPs is an alternate solution to this problem. AOPs combined with Fluidized bed reactor (FBR) can be a potential choice compared to fixed bed or moving bed reactor, as AOP catalysts life-span last for only maximum of 5-10 cycles. Hence, FBR-AOPs require lesser operational and maintenance cost by reducing material resources. The time required for AOP can be minimized using FBR and also treatable working volume can be increased. FBR-AOP can process from 1 to 10 L of volume which is 10 times more than simple batch reaction. The mass transfer is higher thus the reaction time is lesser. For having increased mass transfer sludge production can be successfully avoided. The review study suggests that, optimum particle size, catalyst to reactor volume ratio, catalyst diameter and liquid or gas velocity is required for efficient FBR-AOP systems. However, FBR-AOPs are still under lab-scale investigation and for industrial application cost study is needed. Cost of FBR-AOPs highly depends on energy density needed and the mechanism of degradation of the pollutant. The cost of waste water treatment containing azo dyes was found to be US$ 50 to US$ 500 per 1000 gallons where, the cost for treating phenol water was US$ 50 to US$ 800 per 1000 gallons. The analysis for FBR-AOP costs has been found to depend on the targeted pollutant, degradation mechanism (zero order, 1st order and 2nd order) and energy consumptions by the AOPs. Copyright © 2014 Elsevier Ltd. All rights reserved.

AOP-DB Frontend: A user interface for the Adverse Outcome Pathways Database

EPA Science Inventory

The EPA Adverse Outcome Pathway Database (AOP-DB) is a database resource that aggregates association relationships between AOPs, genes, chemicals, diseases, pathways, species orthology information, ontologies. The AOP-DB frontend is a simple yet powerful user interface in the for...

Creating a Structured AOP Knowledgebase via Ontology-Based Annotations

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework is increasingly used to integrate data from traditional and emerging toxicity testing paradigms. As the number of AOP descriptions has increased, so has the need to define the AOP in terms that can be interpreted computationally. We wil...

Adverse Outcome Pathways: From Research to Regulation ...

EPA Pesticide Factsheets

An adverse outcome pathway (AOP) organizes existing knowledge on chemical mode of action, starting with a molecular initiating event such as receptor binding, continuing through key events, and ending with an adverse outcome such as reproductive impairment. AOPs can help identify knowledge gaps where more research is needed to understand the underlying mechanisms, aid in chemical hazard characterization, and guide the development of new testing approaches that use fewer or no animals. A September 2014 workshop co-sponsored by NICEATM and PCRM considered how the AOP concept could improve regulatory assessments of chemical toxicity. Scientists from 21 countries, representing industry, academia, regulatory agencies, and special interest groups, attended the workshop, titled Adverse Outcome Pathways: From Research to Regulation. Workshop plenary presentations were followed by breakout sessions that considered regulatory acceptance of AOPs and AOP-based tools, criteria for building confidence in an AOP for regulatory use, and requirements to build quantitative AOPs and AOP networks. Discussions during the closing session emphasized a need to increase transparent and inclusive collaboration, especially with disciplines outside of toxicology. Additionally, to increase impact, working groups should be established to systematically prioritize and develop AOPs. Multiple collaborative projects and follow-up activities resulted from the workshop. This manuscript provides a

Advanced oxidation processes for the removal of natural organic matter from drinking water sources: A comprehensive review.

PubMed

Sillanpää, Mika; Ncibi, Mohamed Chaker; Matilainen, Anu

2018-02-15

Natural organic matter (NOM), a key component in aquatic environments, is a complex matrix of organic substances characterized by its fluctuating amounts in water and variable molecular and chemical properties, leading to various interaction schemes with the biogeosphere and hydrologic cycle. These factors, along with the increasing amounts of NOM in surface and ground waters, make the effort of removing naturally-occurring organics from drinking water supplies, and also from municipal wastewater effluents, a challenging task requiring the development of highly efficient and versatile water treatment technologies. Advanced oxidation processes (AOPs) received an increasing amount of attention from researchers around the world, especially during the last decade. The related processes were frequently reported to be among the most suitable water treatment technologies to remove NOM from drinking water supplies and mitigate the formation of disinfection by products (DBPs). Thus, the present work overviews recent research and development studies conducted on the application of AOPs to degrade NOM including UV and/or ozone-based applications, different Fenton processes and various heterogeneous catalytic and photocatalytic oxidative processes. Other non-conventional AOPs such as ultrasonication, ionizing radiation and plasma technologies were also reported. Furthermore, since AOPs are unlikely to achieve complete oxidation of NOM, integration schemes with other water treatment technologies were presented including membrane filtration, adsorption and others processes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adverse outcome pathway networks II: Network analytics.

PubMed

Villeneuve, Daniel L; Angrish, Michelle M; Fortin, Marie C; Katsiadaki, Ioanna; Leonard, Marc; Margiotta-Casaluci, Luigi; Munn, Sharon; O'Brien, Jason M; Pollesch, Nathan L; Smith, L Cody; Zhang, Xiaowei; Knapen, Dries

2018-06-01

Toxicological responses to stressors are more complex than the simple one-biological-perturbation to one-adverse-outcome model portrayed by individual adverse outcome pathways (AOPs). Consequently, the AOP framework was designed to facilitate de facto development of AOP networks that can aid in the understanding and prediction of pleiotropic and interactive effects more common to environmentally realistic, complex exposure scenarios. The present study introduces nascent concepts related to the qualitative analysis of AOP networks. First, graph theory-based approaches for identifying important topological features are illustrated using 2 example AOP networks derived from existing AOP descriptions. Second, considerations for identifying the most significant path(s) through an AOP network from either a biological or risk assessment perspective are described. Finally, approaches for identifying interactions among AOPs that may result in additive, synergistic, or antagonistic responses (or previously undefined emergent patterns of response) are introduced. Along with a companion article (part I), these concepts set the stage for the development of tools and case studies that will facilitate more rigorous analysis of AOP networks, and the utility of AOP network-based predictions, for use in research and regulatory decision-making. The present study addresses one of the major themes identified through a Society of Environmental Toxicology and Chemistry Horizon Scanning effort focused on advancing the AOP framework. Environ Toxicol Chem 2018;37:1734-1748. © 2018 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America. © 2018 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America.

Quantitative (q)AOP for aromatase inhibition as case study to advance qAOP development practices

EPA Science Inventory

Here we describe how “read across” of a quantitative adverse outcome pathway (qAOP) developed with data for one chemical can be used to screen impacts of other chemicals. We developed a qAOP starting with inhibition of CYP19A (aromatase) in fathead minnows (FHM) as th...

The adverse outcome pathway concept: a pragmatic tool in toxicology.

PubMed

Vinken, Mathieu

2013-10-04

Adverse outcome pathways (AOPs) are novel tools in toxicology and human risk assessment with broad potential. AOPs are designed to provide a clear-cut mechanistic representation of critical toxicological effects that span over different layers of biological organization. AOPs share a common structure consisting of a molecular initiating event, a series of intermediate steps and key events, and an adverse outcome. Development of AOPs ideally complies with OECD guidelines. This also holds true for AOP evaluation, which includes consideration of the Bradford Hill criteria for weight-of-evidence assessment and meeting a set of key questions defined by the OECD. Elaborate AOP frameworks have yet been proposed for chemical-induced skin sensitization, cholestasis, liver fibrosis and liver steatosis. These newly postulated AOPs can serve a number of ubiquitous purposes, including the establishment of (quantitative) structure-activity relationships, the development of novel in vitro toxicity screening tests and the elaboration of prioritization strategies. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Apparent optical properties of the Canadian Beaufort Sea - Part 2: The 1% and 1 cm perspective in deriving and validating AOP data products

NASA Astrophysics Data System (ADS)

Hooker, S. B.; Morrow, J. H.; Matsuoka, A.

2013-07-01

A next-generation in-water profiler designed to measure the apparent optical properties (AOPs) of seawater was developed and validated across a wide dynamic range of in-water properties. The new free-falling instrument, the Compact-Optical Profiling System (C-OPS), was based on sensors built with a cluster of 19 state-of-the-art microradiometers spanning 320-780 nm and a novel kite-shaped backplane. The new backplane includes tunable ballast, a hydrobaric buoyancy chamber, plus pitch and roll adjustments, to provide unprecedented stability and vertical resolution in near-surface waters. A unique data set was collected as part of the development activity plus the first major field campaign that used the new instrument, the Malina expedition to the Beaufort Sea in the vicinity of the Mackenzie River outflow. The data were of sufficient resolution and quality to show that errors - more correctly, uncertainties - in the execution of data sampling protocols were measurable at the 1% and 1 cm level with C-OPS. A theoretical sensitivity analysis as a function of three water types established by the peak in the remote sensing reflectance spectrum, Rrs(λ), revealed which water types and which parts of the spectrum were the most sensitive to data acquisition uncertainties. Shallow riverine waters were the most sensitive water type, and the ultraviolet and near-infrared spectral end members, which are critical to next-generation satellite missions, were the most sensitive parts of the spectrum. The sensitivity analysis also showed how the use of data products based on band ratios significantly mitigated the influence of data acquisition uncertainties. The unprecedented vertical resolution provided high-quality data products, which supported an alternative classification capability based on the spectral diffuse attenuation coefficient, Kd(λ). The Kd(320) and Kd(780) data showed how complex coastal systems can be distinguished two-dimensionally and how near-ice water masses are different from the neighboring open ocean. Finally, an algorithm for predicting the spectral absorption due to colored dissolved organic matter (CDOM), denoted aCDOM(λ), was developed using the Kd(320) / Kd(780) ratio, which was based on a linear relationship with respect to aCDOM(440). The robustness of the approach was established by expanding the use of the algorithm to include a geographically different coastal environment, the Southern Mid-Atlantic Bight, with no significant change in accuracy (approximately 98% of the variance explained). Alternative spectral end members reminiscent of next-generation (340 and 710 nm) as well as legacy satellite missions (412 and 670 nm) were also used to accurately derive aCDOM(440) from Kd(λ) ratios.

Increasing Scientific Confidence in Adverse Outcome Pathways: Application of Tailored Bradford-Hill Considerations for Evaluating Weight of Evidence.

PubMed

Becker, Richard A; Ankley, Gerald T; Edwards, Stephen W; Kennedy, Sean W; Linkov, Igor; Meek, Bette; Sachana, Magdalini; Segner, Helmut; Van Der Burg, Bart; Villeneuve, Daniel L; Watanabe, Haruna; Barton-Maclaren, Tara S

2015-08-01

Systematic consideration of scientific support is a critical element in developing and, ultimately, using adverse outcome pathways (AOPs) for various regulatory applications. Though weight of evidence (WoE) analysis has been proposed as a basis for assessment of the maturity and level of confidence in an AOP, methodologies and tools are still being formalized. The Organization for Economic Co-operation and Development (OECD) Users' Handbook Supplement to the Guidance Document for Developing and Assessing AOPs (OECD 2014a; hereafter referred to as the OECD AOP Handbook) provides tailored Bradford-Hill (BH) considerations for systematic assessment of confidence in a given AOP. These considerations include (1) biological plausibility and (2) empirical support (dose-response, temporality, and incidence) for Key Event Relationships (KERs), and (3) essentiality of key events (KEs). Here, we test the application of these tailored BH considerations and the guidance outlined in the OECD AOP Handbook using a number of case examples to increase experience in more transparently documenting rationales for assigned levels of confidence to KEs and KERs, and to promote consistency in evaluation within and across AOPs. The major lessons learned from experience are documented, and taken together with the case examples, should contribute to better common understanding of the nature and form of documentation required to increase confidence in the application of AOPs for specific uses. Based on the tailored BH considerations and defining questions, a prototype quantitative model for assessing the WoE of an AOP using tools of multi-criteria decision analysis (MCDA) is described. The applicability of the approach is also demonstrated using the case example aromatase inhibition leading to reproductive dysfunction in fish. Following the acquisition of additional experience in the development and assessment of AOPs, further refinement of parameterization of the model through expert elicitation is recommended. Overall, the application of quantitative WoE approaches hold promise to enhance the rigor, transparency and reproducibility for AOP WoE determinations and may play an important role in delineating areas where research would have the greatest impact on improving the overall confidence in the AOP. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Validation Test Report for the Automated Optical Processing System (AOPS) Version 4.12

DTIC Science & Technology

2015-09-03

NPP) with the VIIRS sensor package as well as data from the Geostationary Ocean Color Imager (GOCI) sensor, aboard the Communication Ocean and...capability • Prepare the NRT Geostationary Ocean Color Imager (GOCI) data stream for integration into operations. • Improvements in sensor...Navy (DON) Environmental Data Records (EDRs) Expeditionary Warfare (EXW) Geostationary Ocean Color Imager (GOCI) Gulf of Mexico (GOM) Hierarchical

Fully solar-driven thermo- and electrochemistry for advanced oxidation processes (STEP-AOPs) of 2-nitrophenol wastewater.

PubMed

Nie, Chunhong; Shao, Nan; Wang, Baohui; Yuan, Dandan; Sui, Xin; Wu, Hongjun

2016-07-01

The STEP (Solar Thermal Electrochemical Process) for Advanced Oxidation Processes (AOPs, combined to STEP-AOPs), fully driven by solar energy without the input of any other forms of energy and chemicals, is introduced and demonstrated from the theory to experiments. Exemplified by the persistent organic pollutant 2-nitrophenol in water, the fundamental model and practical system are exhibited for the STEP-AOPs to efficiently transform 2-nitrophenol into carbon dioxide, water, and the other substances. The results show that the STEP-AOPs system performs more effectively than classical AOPs in terms of the thermodynamics and kinetics of pollutant oxidation. Due to the combination of solar thermochemical reactions with electrochemistry, the STEP-AOPs system allows the requisite electrolysis voltage of 2-nitrophenol to be experimentally decreased from 1.00 V to 0.84 V, and the response current increases from 18 mA to 40 mA. STEP-AOPs also greatly improve the kinetics of the oxidation at 30 °C and 80 °C. As a result, the removal rate of 2-nitrophenol after 1 h increased from 19.50% at 30 °C to 32.70% at 80 °C at constant 1.90 V. Mechanistic analysis reveals that the oxidation pathway is favorably changed because of thermal effects. The tracking of the reaction displayed that benzenediol and hydroquinone are initial products, with maleic acid and formic acid as sequential carboxylic acid products, and carbon dioxide as the final product. The theory and experiments on STEP-AOPs system exemplified by the oxidation of 2-nitrophenol provide a broad basis for extension of the STEP and AOPs for rapid and efficient treatment of organic wastewater. Copyright © 2016 Elsevier Ltd. All rights reserved.

Building gene expression signatures indicative of transcription factor activation to predict AOP modulation

EPA Science Inventory

Building gene expression signatures indicative of transcription factor activation to predict AOP modulation Adverse outcome pathways (AOPs) are a framework for predicting quantitative relationships between molecular initiatin...

Quantitative Adverse Outcome Pathways and Their ...

EPA Pesticide Factsheets

A quantitative adverse outcome pathway (qAOP) consists of one or more biologically based, computational models describing key event relationships linking a molecular initiating event (MIE) to an adverse outcome. A qAOP provides quantitative, dose–response, and time-course predictions that can support regulatory decision-making. Herein we describe several facets of qAOPs, including (a) motivation for development, (b) technical considerations, (c) evaluation of confidence, and (d) potential applications. The qAOP used as an illustrative example for these points describes the linkage between inhibition of cytochrome P450 19A aromatase (the MIE) and population-level decreases in the fathead minnow (FHM; Pimephales promelas). The qAOP consists of three linked computational models for the following: (a) the hypothalamic-pitutitary-gonadal axis in female FHMs, where aromatase inhibition decreases the conversion of testosterone to 17β-estradiol (E2), thereby reducing E2-dependent vitellogenin (VTG; egg yolk protein precursor) synthesis, (b) VTG-dependent egg development and spawning (fecundity), and (c) fecundity-dependent population trajectory. While development of the example qAOP was based on experiments with FHMs exposed to the aromatase inhibitor fadrozole, we also show how a toxic equivalence (TEQ) calculation allows use of the qAOP to predict effects of another, untested aromatase inhibitor, iprodione. While qAOP development can be resource-intensive, the quan

Accelerating Adverse Outcome Pathway (AOP) development ...

EPA Pesticide Factsheets

The Adverse Outcome Pathway (AOP) framework is increasingly being adopted as a tool for organizing and summarizing the mechanistic information connecting molecular perturbations by environmental stressors with adverse outcomes relevant for ecological and human health outcomes. However, the conventional process for assembly of these AOPs is time and resource intensive, and has been a rate limiting step for AOP use and development. Therefore computational approaches to accelerate the process need to be developed. We previously developed a method for generating computationally predicted AOPs (cpAOPs) by association mining and integration of data from publicly available databases. In this work, a cpAOP network of ~21,000 associations was established between 105 phenotypes from TG-GATEs rat liver data from different time points (including microarray, pathological effects and clinical chemistry data), 994 REACTOME pathways, 688 High-throughput assays from ToxCast and 194 chemicals. A second network of 128,536 associations was generated by connecting 255 biological target genes from ToxCast to 4,980 diseases from CTD using either HT screening activity from ToxCast for 286 chemicals or CTD gene expression changes in response to 2,330 chemicals. Both networks were separately evaluated through manual extraction of disease-specific cpAOPs and comparison with expert curation of the relevant literature. By employing data integration strategies that involve the weighting of n

AOP description: Acetylcholinesterase inhibition

EPA Science Inventory

This adverse outcome pathway (AOP) leverages existing knowledge in the open literature to describe the linkage between inhibition of acetylcholinesterase (AChE) and the subsequent mortality resulting from impacts at cholinergic receptors. The AOP takes a chemical category approa...

Framework for computationally-predicted AOPs

EPA Science Inventory

Framework for computationally-predicted AOPs Given that there are a vast number of existing and new chemicals in the commercial pipeline, emphasis is placed on developing high throughput screening (HTS) methods for hazard prediction. Adverse Outcome Pathways (AOPs) represent a...

The Role of Ultrasound on Advanced Oxidation Processes.

PubMed

Babu, Sundaram Ganesh; Ashokkumar, Muthupandian; Neppolian, Bernaurdshaw

2016-10-01

This chapter describes the use of ultrasound in remediation of wastewater contaminated with organic pollutants in the absence and presence of other advanced oxidation processes (AOPs) such as sonolysis, sono-ozone process, sonophotocatalysis, sonoFenton systems and sonophoto-Fenton methods in detail. All these methods are explained with the suitable literature illustrations. In most of the cases, hybrid AOPs (combination of ultrasound with one or more AOPs) resulted in superior efficacy to that of individual AOP. The advantageous effects such as additive and synergistic effects obtained by operating the hybrid AOPs are highlighted with appropriate examples. It is worth to mention here that the utilization of ultrasound is not only restricted in preparation of modern active catalysts but also extensively used for the wastewater treatment. Interestingly, ultrasound coupled AOPs are operationally simple, efficient, and environmentally benign, and can be readily applied for large scale industrial processes which make them economically viable.

Investigation of the multifunctional gene AOP3 expands the regulatory network fine-tuning glucosinolate production in Arabidopsis

PubMed Central

Jensen, Lea M.; Kliebenstein, Daniel J.; Burow, Meike

2015-01-01

Quantitative trait loci (QTL) mapping studies enable identification of loci that are part of regulatory networks controlling various phenotypes. Detailed investigations of genes within these loci are required to ultimately understand the function of individual genes and how they interact with other players in the network. In this study, we use transgenic plants in combination with natural variation to investigate the regulatory role of the AOP3 gene found in GS-AOP locus previously suggested to contribute to the regulation of glucosinolate defense compounds. Phenotypic analysis and QTL mapping in F2 populations with different AOP3 transgenes support that the enzymatic function and the AOP3 RNA both play a significant role in controlling glucosinolate accumulation. Furthermore, we find different loci interacting with either the enzymatic activity or the RNA of AOP3 and thereby extend the regulatory network controlling glucosinolate accumulation. PMID:26442075

The antioxidant capacity of erythrocyte concentrates is increased during the first week of storage and correlated with the uric acid level.

PubMed

Bardyn, M; Maye, S; Lesch, A; Delobel, J; Tissot, J-D; Cortés-Salazar, F; Tacchini, P; Lion, N; Girault, H H; Prudent, M

2017-10-01

Red blood cells (RBCs) suffer from lesions during cold storage, depending in part on their ability to counterbalance oxidative stress by activating their antioxidant defence. The aim of this study was to monitor the antioxidant power (AOP) in erythrocyte concentrates (ECs) during cold storage. Six ECs were prepared in saline-adenine-glucose-mannitol (SAGM) additive solution and followed during 43 days. The AOP was quantified electrochemically using disposable electrode strips and compared with results obtained from a colorimetric assay. Haematological data, data on haemolysis and the extracellular concentration of uric acid were also recorded. Additionally, a kinetic model was developed to extract quantitative kinetic data on the AOP behaviour. The AOP of total ECs and their extracellular samples attained a maximum after 1 week of storage prior to decaying and reaching a plateau, as shown by the electrochemical measurements. The observed trend was confirmed with a colorimetric assay. Uric acid had a major contribution to the extracellular AOP. Interestingly, the AOP and uric acid levels were linked to the sex of the donors. The marked increase in AOP during the first week of storage suggests that RBCs are impacted early by the modification of their environment. The AOP behaviour reflects the changes in metabolism activity following the adjustment of the extracellular uric acid level. Knowing the origin, interdonor variability and the effects of the AOP on the RBCs could be beneficial for the storage quality, which will have to be further studied. © 2017 International Society of Blood Transfusion.

Aspect-Oriented Programming is Quantification and Obliviousness

NASA Technical Reports Server (NTRS)

Filman, Robert E.; Friedman, Daniel P.; Norvig, Peter (Technical Monitor)

2000-01-01

This paper proposes that the distinguishing characteristic of Aspect-Oriented Programming (AOP) systems is that they allow programming by making quantified programmatic assertions over programs written by programmers oblivious to such assertions. Thus, AOP systems can be analyzed with respect to three critical dimensions: the kinds of quantifications allowed, the nature of the actions that can be asserted, and the mechanism for combining base-level actions with asserted actions. Consequences of this perspective are the recognition that certain systems are not AOP and that some mechanisms are expressive enough to allow programming an AOP system within them. A corollary is that while AOP can be applied to Object-Oriented Programming, it is an independent concept applicable to other programming styles.

The chemistry side of AOP: implications for toxicity extrapolation

EPA Science Inventory

An adverse outcome pathway (AOP) is a structured representation of the biological events that lead to adverse impacts following a molecular initiating event caused by chemical interaction with a macromolecule. AOPs have been proposed to facilitate toxicity extrapolation across s...

Accelerating Adverse Outcome Pathway (AOP) development via computationally predicted AOP networks

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework is increasingly being adopted as a tool for organizing and summarizing the mechanistic information connecting molecular perturbations by environmental stressors with adverse outcomes relevant for ecological and human health outcomes. Ho...

.Network analytics for adverse outcome pathways

EPA Science Inventory

Adverse Outcome Pathways (AOPs) organize toxicological knowledge from the molecular level up to the population level, providing evidence-based causal linkages at each step. The AOPWiki serves as a repository of AOPs. With the international adoption of the AOP framework, the AOPw...

Adverse Outcome Pathway (AOP) Network Development for Fatty Liver

EPA Science Inventory

Adverse outcome pathways (AOPs) are descriptive biological sequences that start from a molecular initiating event (MIE) and end with an adverse health outcome. AOPs provide biological context for high throughput chemical testing and further prioritize environmental health risk re...

Accelerating Adverse Outcome Pathway Development Using Publicly Available Data Sources

EPA Science Inventory

The adverse outcome pathway (AOP) concept links molecular perturbations with organism and population-level outcomes to support high-throughput toxicity testing. International efforts are underway to define AOPs and store the information supporting these AOPs in a central knowledg...

Fabrication of a 20.5-inch-diameter segmented silicon annular optic prototype for the ROMA program

NASA Astrophysics Data System (ADS)

Hassell, Frank R.; Groark, Frank M.

1995-10-01

Recent advancements in single crystal silicon material science and fabrication capabilities and very low absorption (VLA) multi-layer dielectric coating technology have led to the development of uncooled, large aperture, high power mirrors for high energy laser (HEL) systems. Based on this success, a segmented single-crystal silicon substrate concept has been selected as the baseline fabrication approach for uncooled 1.2 meter diameter resonator annular optics for the Alpha space based high energy laser. The objective of this Resonator Optics Materials Assessment (ROMA) task was to demonstrate all of the key fabrication processes required to fabricate the full sized annular optics for the Alpha space based high energy laser. This paper documents the fabrication of a half-scale annular optic prototype (AOP) of the Alpha laser rear cone.

Environmental assessment of different advanced oxidation processes applied to a bleaching Kraft mill effluent.

PubMed

Muñoz, Iván; Rieradevall, Joan; Torrades, Francesc; Peral, José; Domènech, Xavier

2006-01-01

Different advanced oxidation processes (AOPs) have been applied to remove the organic carbon content of a paper mill effluent originating from the Kraft pulp bleaching process. The considered AOPs were: TiO(2)-mediated heterogeneous photocatalysis, TiO(2)-mediated heterogeneous photocatalysis assisted with H(2)O(2), TiO(2)-mediated heterogeneous photocatalysis coupled with Fenton, photo-Fenton, ozonation and ozonation with UV-A light irradiation. The application of the selected AOPs all resulted in a considerable decrease in dissolved organic carbon (DOC) content with variable treatment efficiencies depending upon the nature/type of the applied AOP. A Life Cycle Assessment (LCA) study was used as a tool to compare the different AOPs in terms of their environmental impact. Heterogeneous photocatalysis coupled with the Fenton's reagent proved to have the lowest environmental impact accompanied with a moderate-to-high DOC removal rate. On the other hand, heterogeneous photocatalysis appeared to be the worst AOP both in terms of DOC abatement rate and environmental impact. For the studied AOPs, LCA has indicated that the environmental impact was attributable to the high electrical energy (power) consumption necessary to run a UV-A lamp or to produce ozone.

QSPR prediction of the hydroxyl radical rate constant of water contaminants.

PubMed

Borhani, Tohid Nejad Ghaffar; Saniedanesh, Mohammadhossein; Bagheri, Mehdi; Lim, Jeng Shiun

2016-07-01

In advanced oxidation processes (AOPs), the aqueous hydroxyl radical (HO) acts as a strong oxidant to react with organic contaminants. The hydroxyl radical rate constant (kHO) is important for evaluating and modelling of the AOPs. In this study, quantitative structure-property relationship (QSPR) method is applied to model the hydroxyl radical rate constant for a diverse dataset of 457 water contaminants from 27 various chemical classes. The constricted binary particle swarm optimization and multiple-linear regression (BPSO-MLR) are used to obtain the best model with eight theoretical descriptors. An optimized feed forward neural network (FFNN) is developed to investigate the complex performance of the selected molecular parameters with kHO. Although the FFNN prediction results are more accurate than those obtained using BPSO-MLR, the application of the latter is much more convenient. Various internal and external validation techniques indicate that the obtained models could predict the logarithmic hydroxyl radical rate constants of a large number of water contaminants with less than 4% absolute relative error. Finally, the above-mentioned proposed models are compared to those reported earlier and the structural factors contributing to the AOP degradation efficiency are discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Using Adverse Outcome Pathways to Build Chemical Groups: A Case Study for Hepatic Steatosis

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework systematically documents the mechanisms underlying effects of chemicals. Ideally, the AOP traces the mechanism to the initial interaction of chemicals with the biological system. Thus, AOPs should help inform chemical grouping by identi...

Exposure and Dosimetry Considerations for Adverse Outcome Pathways (AOPs) (NIH-AOP)

EPA Science Inventory

Risk is a function of both of hazard and exposure. Toxicokinetic (TK) models can determine whether chemical exposures produce potentially hazardous tissue concentrations. Whether or not the initial molecular event (MIE) in an Adverse Outcome Pathway (AOP) occurs depends on both e...

An evaluation of skylight polarization patterns for navigation.

PubMed

Ma, Tao; Hu, Xiaoping; Zhang, Lilian; Lian, Junxiang; He, Xiaofeng; Wang, Yujie; Xian, Zhiwen

2015-03-10

Skylight polarization provides a significant navigation cue for certain polarization-sensitive animals. However, the precision of the angle of polarization (AOP) of skylight for vehicle orientation is not clear. An evaluation of AOP must be performed before it is utilized. This paper reports an evaluation of AOP of skylight by measuring the skylight polarization patterns of clear and cloudy skies using a full-sky imaging polarimetry system. AOP measurements of skylight are compared with the pattern calculated by the single-scattering Rayleigh model and these differences are quantified. The relationship between the degree of polarization (DOP) and the deviation of AOP of skylight is thoroughly studied. Based on these, a solar meridian extracted method is presented. The results of experiments reveal that the DOP is a key parameter to indicate the accuracy of AOP measurements, and all the output solar meridian orientations extracted by our method in both clear and cloudy skies can achieve a high accuracy for vehicle orientation.

An Evaluation of Skylight Polarization Patterns for Navigation

PubMed Central

Ma, Tao; Hu, Xiaoping; Zhang, Lilian; Lian, Junxiang; He, Xiaofeng; Wang, Yujie; Xian, Zhiwen

2015-01-01

Skylight polarization provides a significant navigation cue for certain polarization-sensitive animals. However, the precision of the angle of polarization (AOP) of skylight for vehicle orientation is not clear. An evaluation of AOP must be performed before it is utilized. This paper reports an evaluation of AOP of skylight by measuring the skylight polarization patterns of clear and cloudy skies using a full-sky imaging polarimetry system. AOP measurements of skylight are compared with the pattern calculated by the single-scattering Rayleigh model and these differences are quantified. The relationship between the degree of polarization (DOP) and the deviation of AOP of skylight is thoroughly studied. Based on these, a solar meridian extracted method is presented. The results of experiments reveal that the DOP is a key parameter to indicate the accuracy of AOP measurements, and all the output solar meridian orientations extracted by our method in both clear and cloudy skies can achieve a high accuracy for vehicle orientation. PMID:25763652

Evaluation of potential for reuse of industrial wastewater using metal-immobilized catalysts and reverse osmosis.

PubMed

Choi, Jeongyun; Chung, Jinwook

2015-04-01

This report describes a novel technology of reusing the wastewater discharged from the display manufacturing industry through an advanced oxidation process (AOP) with a metal-immobilized catalyst and reverse osmosis (RO) in the pilot scale. The reclaimed water generated from the etching and cleaning processes in display manufacturing facilities was low-strength organic wastewater and was required to be recycled to secure a water source. For the reuse of reclaimed water to ultrapure water (UPW), a combination of solid-phase AOP and RO was implemented. The removal efficiency of TOC by solid-phase AOP and RO was 92%. Specifically, the optimal acid, pH, and H2O2 concentrations in the solid-phase AOP were determined. With regard to water quality and operating costs, the combination of solid-phase AOP and RO was superior to activated carbon/RO and ultraviolet AOP/anion polisher/coal carbon. Copyright © 2014 Elsevier Ltd. All rights reserved.

Empirical testing AOP network-based hazard prediction combined effect of aromatase inhibition & androgen receptor agonism

EPA Science Inventory

Adverse outcome pathways (AOPs) describe linkages between a specific molecular perturbation resulting from interaction of a chemical with a biomolecule in an organism and one possible adverse outcome of regulatory significance. While individual AOPs have utility, it is recognized...

Creating a Structured Adverse Outcome Pathway Knowledgebase via Ontology-Based Annotations

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework is increasingly used to integrate data based on traditional and emerging toxicity testing paradigms. As the number of AOP descriptions has increased, so has the need to define the AOP in computable terms. Herein, we present a comprehens...

Validation Test Report for the Automated Optical Processing System (AOPS) Version 4.8

DTIC Science & Technology

2013-06-28

be familiar with UNIX; BASH shell programming; and remote sensing, particularly regarding computer processing of satellite data. The system memory ...and storage requirements are difficult to gauge. The amount of memory needed is dependent upon the amount and type of satellite data you wish to...process; the larger the area, the larger the memory requirement. For example, the entire Atlantic Ocean will require more processing power than the

Frameworks for organizing exposure and toxicity data - the Aggregate Exposure Pathway (AEP) and the Adverse Outcome Pathway (AOP)

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework organizes existing knowledge regarding a series of biological events, starting with a molecular initiating event (MIE) and ending at an adverse outcome. The AOP framework provides a biological context to interpret in vitro toxicity dat...

AOP-DB: A database resource for the exploration of Adverse Outcome Pathways through integrated association networks.

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework describes the progression of a toxicity pathway from molecular perturbation to population-level outcome in a series of measurable, mechanistic responses. The controlled, computer-readable vocabulary that defines an AOP has the ability t...

Transitioning from AOP to IATA - Exploiting mechanistic ...

EPA Pesticide Factsheets

Slide presentation at satellite meeting of the QSAR2016 Meeting on How to Transition from AOP to IATA-Exploiting mechanistic insight for practical decision making. . Slide presentation at satellite meeting of the QSAR2016 Meeting on How to Transition from AOP to IATA-Exploiting mechanistic insight for practical decision making. .

Graphene-based materials supported advanced oxidation processes for water and wastewater treatment: a review.

PubMed

Nidheesh, Puthiya Veetil

2017-12-01

Advanced oxidation processes (AOPs) received much attention in the field of water and wastewater treatment due to its ability to mineralize persistent organic pollutants from water medium. The addition of graphene-based materials increased the efficiency of all AOPs significantly. The present review analyzes the performance of graphene-based materials that supported AOPs in detail. Recent developments in this field are highlighted. A special focus has been awarded for the performance enhancement mechanism of AOPs in the presence of graphene-based materials.

A Flight Deck Decision Support Tool for Autonomous Airborne Operations

NASA Technical Reports Server (NTRS)

Ballin, Mark G.; Sharma, Vivek; Vivona, Robert A.; Johnson, Edward J.; Ramiscal, Ermin

2002-01-01

NASA is developing a flight deck decision support tool to support research into autonomous operations in a future distributed air/ground traffic management environment. This interactive real-time decision aid, referred to as the Autonomous Operations Planner (AOP), will enable the flight crew to plan autonomously in the presence of dense traffic and complex flight management constraints. In assisting the flight crew, the AOP accounts for traffic flow management and airspace constraints, schedule requirements, weather hazards, aircraft operational limits, and crew or airline flight-planning goals. This paper describes the AOP and presents an overview of functional and implementation design considerations required for its development. Required AOP functionality is described, its application in autonomous operations research is discussed, and a prototype software architecture for the AOP is presented.

Integrating publicly-available data to generate computationally ...

EPA Pesticide Factsheets

The adverse outcome pathway (AOP) framework provides a way of organizing knowledge related to the key biological events that result in a particular health outcome. For the majority of environmental chemicals, the availability of curated pathways characterizing potential toxicity is limited. Methods are needed to assimilate large amounts of available molecular data and quickly generate putative AOPs for further testing and use in hazard assessment. A graph-based workflow was used to facilitate the integration of multiple data types to generate computationally-predicted (cp) AOPs. Edges between graph entities were identified through direct experimental or literature information or computationally inferred using frequent itemset mining. Data from the TG-GATEs and ToxCast programs were used to channel large-scale toxicogenomics information into a cpAOP network (cpAOPnet) of over 20,000 relationships describing connections between chemical treatments, phenotypes, and perturbed pathways measured by differential gene expression and high-throughput screening targets. Sub-networks of cpAOPs for a reference chemical (carbon tetrachloride, CCl4) and outcome (hepatic steatosis) were extracted using the network topology. Comparison of the cpAOP subnetworks to published mechanistic descriptions for both CCl4 toxicity and hepatic steatosis demonstrate that computational approaches can be used to replicate manually curated AOPs and identify pathway targets that lack genomic mar

AOPs and Biomarkers: Bridging High Throughput Screening ...

EPA Pesticide Factsheets

As high throughput screening (HTS) plays a larger role in toxicity testing, camputational toxicology has emerged as a critical component in interpreting the large volume of data produced. Computational models designed to quantify potential adverse effects based on HTS data will benefit from additional data sources that connect the magnitude of perturbation from the in vitro system to a level of concern at the organism or population level. The adverse outcome pathway (AOP) concept provides an ideal framework for combining these complementary data. Recent international efforts under the auspices of the Organization for Economic Co-operation and Development (OECD) have resulted in an AOP wiki designed to house formal descriptions of AOPs suitable for use in regulatory decision making. Recent efforts have built upon this to include an ontology describing the AOP with linkages to biological pathways, physiological terminology, and taxonomic applicability domains. Incorporation of an AOP network tool developed by the U.S. Army Corps of Engineers also allows consideration of cumulative risk from chemical and non-chemical stressors. Biomarkers are an important complement to formal AOP descriptions, particularly when dealing with susceptible subpopulations or lifestages in human health risk assessment. To address the issue of nonchemical stressors than may modify effects of criteria air pollutants, a novel method was used to integrate blood gene expression data with hema

Development of Quantitative Adverse Outcome Pathways Using Health-Protective Assumptions to Fill Data Gaps

EPA Science Inventory

In an adverse outcome pathway (AOP), the target site dose participates in a molecular initiating event (MIE), which in turn triggers a sequence of key events leading to an adverse outcome (AO). Quantitative AOPs (QAOP) are needed if AOP characterization is to address risk as well...

Application of adverse outcome pathways (AOPs) in human health and ecotoxicology capturing divergent consequences of conserved molecular initiating events via AOP networks

EPA Science Inventory

The adverse outcome pathway (AOP) framework was developed to help organize and disseminate existing knowledge concerning the means through which specific perturbations of biological pathways can lead to adverse outcomes considered relevant to risk-based regulatory decision-making...

Application of Adverse Outcome Pathways (AOPs) in Human Health and Ecotoxicology Capturing Divergent Consequences of Conserved Molecular Initiating Events via AOP Networks (Presentation)

EPA Science Inventory

The adverse outcome pathway (AOP) framework was developed to help organize and disseminate existing knowledge concerning the means through which specific perturbations of biological pathways can lead to adverse outcomes considered relevant to risk-based regulatory decision-making...

Computationally predicted Adverse Outcome Pathway networks for liver-related diseases using publicly available data sources: Case studies and lessons learned

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework summarizes key information about mechanistic events leading to an adverse health or ecological outcome. In recent years computationally predicted AOPs (cpAOP) making use of publicly available data have been proposed as a means of accele...

Optimizing Blasting’s Air Overpressure Prediction Model using Swarm Intelligence

NASA Astrophysics Data System (ADS)

Nur Asmawisham Alel, Mohd; Ruben Anak Upom, Mark; Asnida Abdullah, Rini; Hazreek Zainal Abidin, Mohd

2018-04-01

Air overpressure (AOp) resulting from blasting can cause damage and nuisance to nearby civilians. Thus, it is important to be able to predict AOp accurately. In this study, 8 different Artificial Neural Network (ANN) were developed for the purpose of prediction of AOp. The ANN models were trained using different variants of Particle Swarm Optimization (PSO) algorithm. AOp predictions were also made using an empirical equation, as suggested by United States Bureau of Mines (USBM), to serve as a benchmark. In order to develop the models, 76 blasting operations in Hulu Langat were investigated. All the ANN models were found to outperform the USBM equation in three performance metrics; root mean square error (RMSE), mean absolute percentage error (MAPE) and coefficient of determination (R2). Using a performance ranking method, MSO-Rand-Mut was determined to be the best prediction model for AOp with a performance metric of RMSE=2.18, MAPE=1.73% and R2=0.97. The result shows that ANN models trained using PSO are capable of predicting AOp with great accuracy.

Adverse outcome pathways | Science Inventory | US EPA

EPA Pesticide Factsheets

The Systems Toxicology Unit of the European Commission Joint Research Centre (JRC) is strongly committed to development and uptake of AOPs. In coordination with the OECD, the JRC and EPA have collaborated closely in the development of training and outreach materials related to the development and application of AOPs. The European Food Safety Authority (EFSA) has requested that the JRC provide eight training courses, each 2 days in duration, to EFSA over a 2.5 year period. Given EPA’s expertise in the development of AOPs and the AOP-wiki, as well as EPA’s experience in training others on the AOP concepts and best practices in this rapidly moving arena, the JRC has engaged EPA expertise in this training activity, which reaches groups of 30-40 participants from regulatory authorities and academic institutes across Europe. Not Applicable

Long-term analysis of aerosol optical depth over Northeast Asia using a satellite-based measurement: MI Yonsei Aerosol Retrieval Algorithm (YAER)

NASA Astrophysics Data System (ADS)

Kim, Mijin; Kim, Jhoon; Yoon, Jongmin; Chung, Chu-Yong; Chung, Sung-Rae

2017-04-01

In 2010, the Korean geostationary earth orbit (GEO) satellite, the Communication, Ocean, and Meteorological Satellite (COMS), was launched including the Meteorological Imager (MI). The MI measures atmospheric condition over Northeast Asia (NEA) using a single visible channel centered at 0.675 μm and four IR channels at 3.75, 6.75, 10.8, 12.0 μm. The visible measurement can also be utilized for the retrieval of aerosol optical properties (AOPs). Since the GEO satellite measurement has an advantage for continuous monitoring of AOPs, we can analyze the spatiotemporal variation of the aerosol using the MI observations over NEA. Therefore, we developed an algorithm to retrieve aerosol optical depth (AOD) using the visible observation of MI, and named as MI Yonsei Aerosol Retrieval Algorithm (YAER). In this study, we investigated the accuracy of MI YAER AOD by comparing the values with the long-term products of AERONET sun-photometer. The result showed that the MI AODs were significantly overestimated than the AERONET values over bright surface in low AOD case. Because the MI visible channel centered at red color range, contribution of aerosol signal to the measured reflectance is relatively lower than the surface contribution. Therefore, the AOD error in low AOD case over bright surface can be a fundamental limitation of the algorithm. Meanwhile, an assumption of background aerosol optical depth (BAOD) could result in the retrieval uncertainty, also. To estimate the surface reflectance by considering polluted air condition over the NEA, we estimated the BAOD from the MODIS dark target (DT) aerosol products by pixel. The satellite-based AOD retrieval, however, largely depends on the accuracy of the surface reflectance estimation especially in low AOD case, and thus, the BAOD could include the uncertainty in surface reflectance estimation of the satellite-based retrieval. Therefore, we re-estimated the BAOD using the ground-based sun-photometer measurement, and investigated the effects of the BAOD assumption. The satellite-based BAOD was significantly higher than the ground-based value over urban area, and thus, resulted in the underestimation of surface reflectance and the overestimation of AOD. The error analysis of the MI AOD also showed sensitivity to cloud contamination, clearly. Therefore, improvements of cloud masking process in the developed single channel MI algorithm as well as the modification of the surface reflectance estimation will be required for the future study.

An integrative data mining approach to identifying adverse outcome pathway signatures.

PubMed

Oki, Noffisat O; Edwards, Stephen W

2016-03-28

The Adverse Outcome Pathway (AOP) framework is a tool for making biological connections and summarizing key information across different levels of biological organization to connect biological perturbations at the molecular level to adverse outcomes for an individual or population. Computational approaches to explore and determine these connections can accelerate the assembly of AOPs. By leveraging the wealth of publicly available data covering chemical effects on biological systems, computationally-predicted AOPs (cpAOPs) were assembled via data mining of high-throughput screening (HTS) in vitro data, in vivo data and other disease phenotype information. Frequent Itemset Mining (FIM) was used to find associations between the gene targets of ToxCast HTS assays and disease data from Comparative Toxicogenomics Database (CTD) by using the chemicals as the common aggregators between datasets. The method was also used to map gene expression data to disease data from CTD. A cpAOP network was defined by considering genes and diseases as nodes and FIM associations as edges. This network contained 18,283 gene to disease associations for the ToxCast data and 110,253 for CTD gene expression. Two case studies show the value of the cpAOP network by extracting subnetworks focused either on fatty liver disease or the Aryl Hydrocarbon Receptor (AHR). The subnetwork surrounding fatty liver disease included many genes known to play a role in this disease. When querying the cpAOP network with the AHR gene, an interesting subnetwork including glaucoma was identified. While substantial literature exists to support the potential for AHR ligands to elicit glaucoma, it was not explicitly captured in the public annotation information in CTD. The subnetwork from this analysis suggests a cpAOP that includes changes in CYP1B1 expression, which has been previously established in the literature as a primary cause of glaucoma. These case studies highlight the value in integrating multiple data sources when defining cpAOPs for HTS data. Copyright © 2016. Published by Elsevier Ireland Ltd.

Investigating the application of AOP methodology in development of Financial Accounting Software using Eclipse-AJDT Environment

NASA Astrophysics Data System (ADS)

Sharma, Amita; Sarangdevot, S. S.

2010-11-01

Aspect-Oriented Programming (AOP) methodology has been investigated in development of real world business application software—Financial Accounting Software. Eclipse-AJDT environment has been used as open source enhanced IDE support for programming in AOP language—Aspect J. Crosscutting concerns have been identified and modularized as aspects. This reduces the complexity of the design considerably due to elimination of code scattering and tangling. Improvement in modularity, quality and performance is achieved. The study concludes that AOP methodology in Eclipse-AJDT environment offers powerful support for modular design and implementation of real world quality business software.

The future trajectory of adverse outcome pathways: a commentary.

PubMed

Sewell, Fiona; Gellatly, Nichola; Beaumont, Maria; Burden, Natalie; Currie, Richard; de Haan, Lolke; Hutchinson, Thomas H; Jacobs, Miriam; Mahony, Catherine; Malcomber, Ian; Mehta, Jyotigna; Whale, Graham; Kimber, Ian

2018-04-01

The advent of adverse outcome pathways (AOPs) has provided a new lexicon for description of mechanistic toxicology, and a renewed enthusiasm for exploring modes of action resulting in adverse health and environmental effects. In addition, AOPs have been used successfully as a framework for the design and development of non-animal approaches to toxicity testing. Although the value of AOPs is widely recognised, there remain challenges and opportunities associated with their use in practise. The purpose of this article is to consider specifically how the future trajectory of AOPs may provide a basis for addressing some of those challenges and opportunities.

An “ADME Module” in the Adverse Outcome Pathway ...

EPA Pesticide Factsheets

The Adverse Outcome Pathway (AOP) framework has generated intense interest for its utility to organize knowledge on the toxicity mechanisms, starting from a molecular initiating event (MIE) to an adverse outcome across various levels of biological organization. While the AOP framework is designed to be chemical agnostic, it is widely recognized that considering chemicals’ absorption, distribution, metabolism, and excretion (ADME) behaviors is critical in applying the AOP framework in chemical-specific risk assessment. Currently, information being generated as part of the Organisation for Economic Co-operation and Development (OECD) AOP Development Programme is being consolidated into an AOP Knowledgebase (http://aopwiki.org). To enhance the use of this Knowledgebase in risk assessment, an ADME Module has been developed to contain the ADME information needed to connect MIEs and other key events in an AOP for specific chemicals. The conceptual structure of this module characterizes the potential of a chemical to reach the target MIE based on either its structure-based features or relative rates of ADME. The key features of this module include (1) a framework for connecting biology-based AOP to biochemical-based ADME and chemical/human activity-based exposure pathways; (2) links to qualitative tools (e.g., structure-based cheminformatic model) that screen for chemicals that could potentially reach the target MIE; (3) links to quantitative tools (e.g., dose-r

International STakeholder NETwork (ISTNET): Creating a ...

EPA Pesticide Factsheets

A major problem in developmental neurotoxicity (DNT) risk assessment is the lack of toxicological hazard information for most compounds. Therefore, new approaches are being considered to provide adequate experimental data that allow regulatory decisions. This process requires a matching of regulatory needs on the one hand and the opportunities provided by new test sys-tems and methods on the other hand. Alignment of academically and industrially-driven assay development with regulatory needs in the field of DNT is a core mission of the International STakeholder NETwork (ISNET) in DNT testing. The first meeting of ISTNET was held in Zur-ich on 23-24 January 2014 in order to explore the concept of adverse outcome pathway (AOP) to practical DNT testing. AOPs were considered promising tools to promote test systems develop-ment according to regulatory needs. Moreover, the AOP concept was identified as an important guiding principle to assemble predictive integrated testing strategies (ITSs) for DNT. The recommendations on a roadmap towards AOP-based DNT testing is considered a stepwise approach, operating initially with incomplete AOPs for compound grouping, and focussing on key events of neurodevelopment. Next steps to be considered in follow-up activities are the use of case studies to further apply the AOP concept in regulatory DNT testing, making use of AOP intersections (common key events) for economic development of screening assays, and address-ing the transit

Development of GP and GEP models to estimate an environmental issue induced by blasting operation.

PubMed

Faradonbeh, Roohollah Shirani; Hasanipanah, Mahdi; Amnieh, Hassan Bakhshandeh; Armaghani, Danial Jahed; Monjezi, Masoud

2018-05-21

Air overpressure (AOp) is one of the most adverse effects induced by blasting in the surface mines and civil projects. So, proper evaluation and estimation of the AOp is important for minimizing the environmental problems resulting from blasting. The main aim of this study is to estimate AOp produced by blasting operation in Miduk copper mine, Iran, developing two artificial intelligence models, i.e., genetic programming (GP) and gene expression programming (GEP). Then, the accuracy of the GP and GEP models has been compared to multiple linear regression (MLR) and three empirical models. For this purpose, 92 blasting events were investigated, and subsequently, the AOp values were carefully measured. Moreover, in each operation, the values of maximum charge per delay and distance from blast points, as two effective parameters on the AOp, were measured. After predicting by the predictive models, their performance prediction was checked in terms of variance account for (VAF), coefficient of determination (CoD), and root mean square error (RMSE). Finally, it was found that the GEP with VAF of 94.12%, CoD of 0.941, and RMSE of 0.06 is a more precise model than other predictive models for the AOp prediction in the Miduk copper mine, and it can be introduced as a new powerful tool for estimating the AOp resulting from blasting.

An Integrative data mining approach to identifying Adverse ...

EPA Pesticide Factsheets

The Adverse Outcome Pathway (AOP) framework is a tool for making biological connections and summarizing key information across different levels of biological organization to connect biological perturbations at the molecular level to adverse outcomes for an individual or population. Computational approaches to explore and determine these connections can accelerate the assembly of AOPs. By leveraging the wealth of publicly available data covering chemical effects on biological systems, computationally-predicted AOPs (cpAOPs) were assembled via data mining of high-throughput screening (HTS) in vitro data, in vivo data and other disease phenotype information. Frequent Itemset Mining (FIM) was used to find associations between the gene targets of ToxCast HTS assays and disease data from Comparative Toxicogenomics Database (CTD) by using the chemicals as the common aggregators between datasets. The method was also used to map gene expression data to disease data from CTD. A cpAOP network was defined by considering genes and diseases as nodes and FIM associations as edges. This network contained 18,283 gene to disease associations for the ToxCast data and 110,253 for CTD gene expression. Two case studies show the value of the cpAOP network by extracting subnetworks focused either on fatty liver disease or the Aryl Hydrocarbon Receptor (AHR). The subnetwork surrounding fatty liver disease included many genes known to play a role in this disease. When querying the cpAOP

Adapting biomarker technologies to adverse outcome pathways (AOPs) research: current thoughts on using in vivo discovery for developing in vitro target methods

EPA Science Inventory

Adverse outcome pathways (AOP) research is a relatively new concept in human systems biology for assessing the molecular level linkage from an initiating (chemical) event that could lead to a disease state. Although most implementations of AOPs are based on liquids analyses, the...

ADVANCED OXIDATION PROCESSES (AOPS) FOR DESTRUCTION OF METHYL TERTIARY BUTYL ETHER (MTBE -AN UNREGULATED CONTAMINANT) IN DRINKING WATER

EPA Science Inventory

Advanced oxidation processes (AOPs) provide a promising treatment option for the destruction of MTBE directly in surface and ground waters. An ongoing study is evaluating the ability of three AOPs; hydrogen peroxide/ozone (H2O2/ O3), ultraviolet irradiation/ozone (UV/O3) and ultr...

Design of a Multi-mode Flight Deck Decision Support System for Airborne Conflict Management

NASA Technical Reports Server (NTRS)

Barhydt, Richard; Krishnamurthy, Karthik

2004-01-01

NASA Langley has developed a multi-mode decision support system for pilots operating in a Distributed Air-Ground Traffic Management (DAG-TM) environment. An Autonomous Operations Planner (AOP) assists pilots in performing separation assurance functions, including conflict detection, prevention, and resolution. Ongoing AOP design has been based on a comprehensive human factors analysis and evaluation results from previous human-in-the-loop experiments with airline pilot test subjects. AOP considers complex flight mode interactions and provides flight guidance to pilots consistent with the current aircraft control state. Pilots communicate goals to AOP by setting system preferences and actively probing potential trajectories for conflicts. To minimize training requirements and improve operational use, AOP design leverages existing alerting philosophies, displays, and crew interfaces common on commercial aircraft. Future work will consider trajectory prediction uncertainties, integration with the TCAS collision avoidance system, and will incorporate enhancements based on an upcoming air-ground coordination experiment.

The performance of Yonsei CArbon Retrieval (YCAR) algorithm with improved aerosol information using GOSAT measurements over East Asia

NASA Astrophysics Data System (ADS)

Jung, Y.; Kim, J.; Kim, W.; Boesch, H.; Yoshida, Y.; Cho, C.; Lee, H.; Goo, T. Y.

2016-12-01

The Greenhouse Gases Observing SATellite (GOSAT) is the first satellite dedicated to measure atmospheric CO2 concentrations from space that can able to improve our knowledge about carbon cycle. Several studies have performed to develop the CO2 retrieval algorithms using GOSAT measurements, but limitations in spatial coverage and uncertainties due to aerosols and thin cirrus clouds are still remained as a problem for monitoring CO2 concentration globally. In this study, we develop the Yonsei CArbon Retrieval (YCAR) algorithm based on optimal estimation method to retrieve the column-averaged dry-air mole fraction of carbon dioxide (XCO2) with optimized a priori CO2 profiles and aerosol models over East Asia. In previous studies, the aerosol optical properties (AOP) and the aerosol top height used to cause significant errors in retrieved XCO2 up to 2.5 ppm. Since this bias comes from a rough assumption of aerosol information in the forward model used in CO2 retrieval process, the YCAR algorithm improves the process to take into account AOPs as well as aerosol vertical distribution; total AOD and the fine mode fraction (FMF) are obtained from the ground-based measurements closely located, and other parameters are obtained from a priori information. Comparing to ground-based XCO2 measurements, the YCAR XCO2 product has a bias of 0.59±0.48 ppm and 2.16±0.87 ppm at Saga and Tsukuba sites, respectively, showing lower biases and higher correlations rather than the GOSAT standard products. These results reveal that considering better aerosol information can improve the accuracy of CO2 retrieval algorithm and provide more useful XCO2 information with reduced uncertainties.

Aspect-Oriented Programming is Quantification and Implicit Invocation

NASA Technical Reports Server (NTRS)

Filman, Robert E.; Friedman, Daniel P.; Koga, Dennis (Technical Monitor)

2001-01-01

We propose that the distinguishing characteristic of Aspect-Oriented Programming (AOP) languages is that they allow programming by making quantified programmatic assertions over programs that lack local notation indicating the invocation of these assertions. This suggests that AOP systems can be analyzed with respect to three critical dimensions: the kinds of quantifications allowed, the nature of the interactions that can be asserted, and the mechanism for combining base-level actions with asserted actions. Consequences of this perspective are the recognition that certain systems are not AOP and that some mechanisms are metabolism: they are sufficiently expressive to allow straightforwardly programming an AOP system within them.

Evaluation of the relationship between bulk organic precursors and disinfection byproduct formation for advanced oxidation processes.

PubMed

Mayer, Brooke K; Daugherty, Erin; Abbaszadegan, Morteza

2015-02-01

Advanced oxidation processes (AOPs) are gaining traction as they offer mineralization potential rather than transferring contaminants between media. However, AOPs operated with limited energy and/or chemical inputs can exacerbate disinfection byproduct (DBP) formation, even as precursors such as dissolved organic carbon, UV254, and specific UV absorbance (SUVA) decrease. This study examined the relationship between DBP precursors and formation using TiO2 photocatalysis experiments, external AOP and non-AOP data, and predictive DBP models. The top-performing indicator, SUVA, generally correlated positively with trihalomethanes and haloacetic acids, but limited-energy photocatalysis yielded contrasting negative correlations. The accuracy of predicted DBP values from models based on bulk parameters was generally poor, regardless of use and extent of AOP treatment and type of source water. Though performance improved for scenarios bounded by conditions used in model development, only 0.5% of the model/dataset pairings satisfied all measured parameter boundary conditions, thereby introducing skepticism toward model usefulness. Study findings suggest that caution should be employed when using bulk indicators and/or models as a metric for AOP mitigation of DBP formation potential, particularly for limited-energy/chemical inputs. Copyright © 2014 Elsevier Ltd. All rights reserved.

Prediction of blast-induced air overpressure: a hybrid AI-based predictive model.

PubMed

Jahed Armaghani, Danial; Hajihassani, Mohsen; Marto, Aminaton; Shirani Faradonbeh, Roohollah; Mohamad, Edy Tonnizam

2015-11-01

Blast operations in the vicinity of residential areas usually produce significant environmental problems which may cause severe damage to the nearby areas. Blast-induced air overpressure (AOp) is one of the most important environmental impacts of blast operations which needs to be predicted to minimize the potential risk of damage. This paper presents an artificial neural network (ANN) optimized by the imperialist competitive algorithm (ICA) for the prediction of AOp induced by quarry blasting. For this purpose, 95 blasting operations were precisely monitored in a granite quarry site in Malaysia and AOp values were recorded in each operation. Furthermore, the most influential parameters on AOp, including the maximum charge per delay and the distance between the blast-face and monitoring point, were measured and used to train the ICA-ANN model. Based on the generalized predictor equation and considering the measured data from the granite quarry site, a new empirical equation was developed to predict AOp. For comparison purposes, conventional ANN models were developed and compared with the ICA-ANN results. The results demonstrated that the proposed ICA-ANN model is able to predict blast-induced AOp more accurately than other presented techniques.

Integrated Approaches to Testing and Assessment: OECD Activities on the Development and Use of Adverse Outcome Pathways and Case Studies.

PubMed

Sakuratani, Yuki; Horie, Masashi; Leinala, Eeva

2018-01-09

The Organisation for Economic Co-operation and Development (OECD) works with member countries and other stakeholders to improve and harmonize chemical assessment methods. In 2012, the OECD Adverse Outcome Pathways (AOPs) Development Programme started. The Programme has published six AOPs thus far and more than 60 AOPs are under various stages of development under the Programme. This article reviews recent OECD activities on the use of AOPs in developing Integrated Approaches to Testing and Assessments (IATAs). The guidance document for the use of AOPs in developing IATA, published in 2016, provides a framework for developing and using IATA and describes how IATA can be based on an AOP. The guidance document on the reporting of defined approaches to be used within IATA, also published in 2016, provides a set of principles for reporting defined approaches to testing and assessment to facilitate their evaluation. In the guidance documents, the AOP concept plays an important role for building IATA approaches in a science-based and transparent way. In 2015, the IATA Case Studies Project was launched to increase experience with the use of IATA and novel hazard methodologies by developing case studies, which constitute examples of predictions that are fit-for-regulatory use. This activity highlights the importance of international collaboration for harmonizing and improving chemical safety assessment methods. © 2018 Nordic Association for the Publication of BCPT (former Nordic Pharmacological Society).

International STakeholder NETwork (ISTNET): creating a developmental neurotoxicity (DNT) testing road map for regulatory purposes.

PubMed

Bal-Price, Anna; Crofton, Kevin M; Leist, Marcel; Allen, Sandra; Arand, Michael; Buetler, Timo; Delrue, Nathalie; FitzGerald, Rex E; Hartung, Thomas; Heinonen, Tuula; Hogberg, Helena; Bennekou, Susanne Hougaard; Lichtensteiger, Walter; Oggier, Daniela; Paparella, Martin; Axelstad, Marta; Piersma, Aldert; Rached, Eva; Schilter, Benoît; Schmuck, Gabriele; Stoppini, Luc; Tongiorgi, Enrico; Tiramani, Manuela; Monnet-Tschudi, Florianne; Wilks, Martin F; Ylikomi, Timo; Fritsche, Ellen

2015-02-01

A major problem in developmental neurotoxicity (DNT) risk assessment is the lack of toxicological hazard information for most compounds. Therefore, new approaches are being considered to provide adequate experimental data that allow regulatory decisions. This process requires a matching of regulatory needs on the one hand and the opportunities provided by new test systems and methods on the other hand. Alignment of academically and industrially driven assay development with regulatory needs in the field of DNT is a core mission of the International STakeholder NETwork (ISTNET) in DNT testing. The first meeting of ISTNET was held in Zurich on 23-24 January 2014 in order to explore the concept of adverse outcome pathway (AOP) to practical DNT testing. AOPs were considered promising tools to promote test systems development according to regulatory needs. Moreover, the AOP concept was identified as an important guiding principle to assemble predictive integrated testing strategies (ITSs) for DNT. The recommendations on a road map towards AOP-based DNT testing is considered a stepwise approach, operating initially with incomplete AOPs for compound grouping, and focussing on key events of neurodevelopment. Next steps to be considered in follow-up activities are the use of case studies to further apply the AOP concept in regulatory DNT testing, making use of AOP intersections (common key events) for economic development of screening assays, and addressing the transition from qualitative descriptions to quantitative network modelling.

Oxidative degradation of endotoxin by advanced oxidation process (O3/H2O2 & UV/H2O2).

PubMed

Oh, Byung-Taek; Seo, Young-Suk; Sudhakar, Dega; Choe, Ji-Hyun; Lee, Sang-Myeong; Park, Youn-Jong; Cho, Min

2014-08-30

The presence of endotoxin in water environments may pose a serious public health hazard. We investigated the effectiveness of advanced oxidative processes (AOP: O3/H2O2 and UV/H2O2) in the oxidative degradation of endotoxin. In addition, we measured the release of endotoxin from Escherichia coli following typical disinfection methods, such as chlorine, ozone alone and UV, and compared it with the use of AOPs. Finally, we tested the AOP-treated samples in their ability to induce tumor necrosis factor alpha (TNF-α) in mouse peritoneal macrophages. The production of hydroxyl radical in AOPs showed superior ability to degrade endotoxin in buffered solution, as well as water samples from Korean water treatment facilities, with the ozone/H2O2 being more efficient compared to UV/H2O2. In addition, the AOPs proved effective not only in eliminating E. coli in the samples, but also in endotoxin degradation, while the standard disinfection methods lead to the release of endotoxin following the bacteria destruction. Furthermore, in the experiments with macrophages, the AOPs-deactivated endotoxin lead to the smallest induction of TNF-α, which shows the loss of inflammation activity, compared to ozone treatment alone. In conclusion, these results suggest that AOPs offer an effective and mild method for endotoxin degradation in the water systems. Copyright © 2014 Elsevier B.V. All rights reserved.

Adverse Outcome Pathway (AOP) for a Mutagenic Mode of ...

EPA Pesticide Factsheets

AOPs provide a framework to describe a sequence of measureable key events (KEs), beginning with a molecular initiating event (MIE), followed by a series of identified KEs linked to one another by KE Relationships (KERs), all anchored by a specific adverse outcome (AO). Each KE/KER is supported by data and evaluated against criteria to assess biological plausibility, weight/strength of evidence, specificity, and confidence. AOPs offer an approach to using toxicological data and predictive modeling to actualize use of mode-of-action (MOA) for such purposes as read-across, integrated approaches to testing & assessment, and risk assessment. Different applications will depend partly on the scientific confidence underpinning each KE/KER and the overall AOP. An OECD program encourages development of AOPs, with a wiki that allows for public review & comment to foster collaborations and broaden understanding & application of AOPs. Developing an AOP for a mutagenic MOA for cancer as a case study in the OECD program lays a path towards determination of such an MOA and its use in chemical assessment programs. Aflatoxin B1 (AFB1), with ubiquitous exposure and a rich database, was selected for this case study. AFB1 has been determined to induce HCC via a DNA-reactive MOA in many species, including humans. The sequential KEs identified for AFB1 are as follows: pre-MIE: Hepatic metabolic activation; MIE: Formation of a pro-mutagenic DNA adduct (N7-AFB1-guanine or AFB1-FAPy); KE

Cycloartanes from Oxyanthus pallidus and derivatives with analgesic activities.

PubMed

Piegang, Basile Nganmegne; Tigoufack, Ignas Bertrand Nzedong; Ngnokam, David; Achounna, Angèle Sorel; Watcho, Pierre; Greffrath, Wolfgang; Treede, Rolf-Detlef; Nguelefack, Télesphore Benoît

2016-03-09

The leaves of Oxyanthus pallidus Hiern (Rubiaceae) are extensively used in the west region of Cameroon as analgesic. These leaves are rich in cycloartanes, a subclass of triterpenes known to possess analgesic and anti-inflammatory properties. The present study aimed at evaluating the analgesic properties of three cycloartanes isolated from Oxyanthus pallidus leaves as well as their aglycones and acetylated derivatives. Three cycloartanes OP3, OP5 and OP6 obtained by successive chromatography of the crude methanol extract of the leaves were hydrolysed to yield respective aglycone AOP1, AOP2, AOP3 and acetylated to HOP1, HOP2 and HOP3 respectively. Formalin-induced pain model was used to evaluate the acute anti-nociceptive properties of these cycloartanes (5 mg/kg, p.o) in mice and to determine the structure-activity relationship. Acute (24 h) and chronic (10 days) anti-hyperalgesic and anti-inflammatory activities of OP5 were evaluated at the doses of 2.5 and 5 mg/kg/day administered orally. OP6 was also evaluated in acute experiments. The antioxidant and hepato-protective activities of OP5 were evaluated at the end of the chronic treatment. The mixture and the individual isolated cycloartanes significantly inhibited both phases of formalin-induced pain with percentage inhibition ranging from 13 to 78%. Acid hydrolysis did not significantly affect their antinociceptive activities while acetylation significantly reduced the effects of these compounds during the second phase of pain. OP5 and OP6 induced acute anti-hyperalgesic activity in formalin-induced mechanical hyperalgesia but not an anti-inflammatory effect. Repeated administration of OP5 for 10 days did not induce any anti-hyperalgesic effect. The evaluation of in vivo antioxidant properties showed that OP5 significantly reduced malondialdehyde and increased superoxide dismutase levels in liver without significantly affecting other oxidative stress and hepatotoxic parameters. Chronic administration of OP5 did not cause gastric ulceration. Cycloartanes isolated from Oxyanthus pallidus possess analgesic effects but lack anti-inflammatory activities. This analgesic effect especially on inflammatory pain may be due to the presence of hydroxyl group in front of the plane. OP5 is devoid of ulcerogenic effect and possess antioxidant properties that might be of benefit to its analgesic properties.

Identification of mutagenic transformation products generated during oxidation of 3-methyl-4-nitrophenol solutions by orbitrap tandem mass spectrometry and quantitative structure-activity relationship analyses.

PubMed

Matsushita, Taku; Honda, Shiho; Kuriyama, Taisuke; Fujita, Yuki; Kondo, Takashi; Matsui, Yoshihiko; Shirasaki, Nobutaka; Takanashi, Hirokazu; Kameya, Takashi

2018-02-01

We used Ames assays to investigate the effects of ozonation (designated O 3 ), ozonation followed by chlorination (O 3 /Cl), an advanced oxidation process (AOP, UV/H 2 O 2 ), and AOP followed by chlorination (AOP/Cl) on the mutagenicity of solutions of 3-methyl-4-nitrophenol (3M4NP), a major environmental degradation product of the organophosphorus insecticide fenitrothion. Whereas O 3 did not induce mutagenicity, O 3 /Cl, AOP, and AOP/Cl converted 3M4NP into mutagenic transformation products (TPs). Using liquid chromatography-mass spectrometry, we detected a total of 138 peaks in the solutions subjected to O 3 /Cl, AOP, and AOP/Cl. To elucidate the TPs responsible for the observed mutagenicity, we performed simple regression analyses of the relationship between the area of each peak and the observed mutagenicity of samples withdrawn periodically during each oxidation process. The area of each of 10 peaks was found to be positively correlated (r 2  ≥ 0.8) with the observed mutagenicity, suggesting that the TPs corresponding to these peaks contributed to the mutagenicity. After taking into account the consistency of mutagenicity induction by the oxidation processes and analyzing the peaks by tandem mass spectrometry, we identified 3 TPs, corresponding to 6 peaks, as candidate mutagens. These TPs were assessed by means of 4 quantitative structure-activity relationship (QSAR) models, and all 3 were predicted to be mutagenic by at least one model. This result was consistent with our assumption that these TPs were mutagens. Ames assays of an authentic sample of one of the 3 TPs revealed that it did not contribute to the mutagenicity. This left 3-methoxy-4-nitrophenol and 2-[(E)-[(2,5-dihydroxyphenyl) methylidene]amino]-5-dihydroxybenzaldehyde on the list of mutagens suspected of contributing to the mutagenicity induced by AOP. No TPs were identified as candidate mutagens responsible for the mutagenicity induced by O 3 /Cl and AOP/Cl. Copyright © 2017 Elsevier Ltd. All rights reserved.

Synthesis and photocatalytic property of Zinc Oxide (ZnO) fine particle using flame spray pyrolysis method

NASA Astrophysics Data System (ADS)

Widiyandari, Hendri; Ayu Ketut Umiati, Ngurah; Dwi Herdianti, Rizki

2018-05-01

Advance oxidation process (AOP) using photocatalysis constitute a promising technology for the treatment of wastewaters containing non-easily removable organic compound. Zinc oxide (ZnO) is one of efficient photocatalyst materials. This research reported synthesis of ZnO fine particle from zinc nitrate hexahydrate using Flame Spray Pyrolysis (FSP) method. In this method, oxygen (O2) gas were used as oxidizer and LPG (liquid petroleum gas) were used as fuel. The effect of O2 gas flow rate during ZnO particle fabrication to the microstructure, optical and photocatalytic properties were systematically discussed. The photocatalytic activity of ZnO was tested for the degradation of amaranth dye with initial concentration of 10 ppm under irradiation of solar simulator. The rate of decrease in amaranth concentration was measured using UV-Visible spectrophotometer. The ZnO synthesized using FSP has a hexagonal crystalline structure. Scanning electron microscope images showed that ZnO has a spherical formed which was the mixture of solid and hollow particles. The optimum condition for amaranth degradation was shown by ZnO produced at a flow rate of 1.5 L/min which able to degrade amaranth dye up to 95,3 % at 75 minutes irradiation.

State of the art metrics for aspect oriented programming

NASA Astrophysics Data System (ADS)

Ghareb, Mazen Ismaeel; Allen, Gary

2018-04-01

The quality evaluation of software, e.g., defect measurement, gains significance with higher use of software applications. Metric measurements are considered as the primary indicator of imperfection prediction and software maintenance in various empirical studies of software products. However, there is no agreement on which metrics are compelling quality indicators for novel development approaches such as Aspect Oriented Programming (AOP). AOP intends to enhance programming quality, by providing new and novel constructs for the development of systems, for example, point cuts, advice and inter-type relationships. Hence, it is not evident if quality pointers for AOP can be derived from direct expansions of traditional OO measurements. Then again, investigations of AOP do regularly depend on established coupling measurements. Notwithstanding the late reception of AOP in empirical studies, coupling measurements have been adopted as useful markers of flaw inclination in this context. In this paper we will investigate the state of the art metrics for measurement of Aspect Oriented systems development.

Integrative data mining of high-throughput in vitro screens, in vivo data, and disease information to identify Adverse Outcome Pathway (AOP) signatures:ToxCast high-throughput screening data and Comparative Toxicogenomics Database (CTD) as a case study.

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework provides a systematic way to describe linkages between molecular and cellular processes and organism or population level effects. The current AOP assembly methods however, are inefficient. Our goal is to generate computationally-pr...

Adverse outcome pathway (AOP) development and evaluation ...

EPA Pesticide Factsheets

The Adverse Outcome Pathway provides a construct for assembling mechanistic information at different levels of biological organization in a form designed to support regulatory decision making. In particular, it frames the link between molecular and cellular events that can be measured in high throughput toxicity testing and the organism or population-level events that are commonly relevant in defining risk. Recognizing the importance of this emerging framework, the Organisation for Economic Co-operation and Development (OECD) launched a program to support the development, documentation and consideration of AOPs by the international community in 2012 (http://www.oecd.org/chemicalsafety/testing/adverse-outcome-pathways-molecular-screening-and-toxicogenomics.htm). In 2014, a handbook (https://aopkb.org/common/AOP_Handbook.pdf) was developed to guide users in the documentation and evaluation of AOPs and their entry into an official knowledgebase. The handbook draws on longstanding experience in consideration of mechanistic data (e.g., mode of action analysis) to inform risk assessment. To further assist users, a training program was developed by members of the OECD Extended Advisory Group to teach users the basic principles of AOP development and the best practices as outlined in the OECD AOP handbook. Training sessions began in early 2015, and this course will provide training for interested SOT scientists. Following this course, all participants will be familiar w

Informatics approaches in the Biological Characterization of ...

EPA Pesticide Factsheets

Adverse Outcome Pathways (AOPs) are a conceptual framework to characterize toxicity pathways by a series of mechanistic steps from a molecular initiating event to population outcomes. This framework helps to direct risk assessment research, for example by aiding in computational prioritization of chemicals, genes, and tissues relevant to an adverse health outcome. We have designed and implemented a computational workflow to access a wealth of public data relating genes, chemicals, diseases, pathways, and species, to provide a biological context for putative AOPs. We selected three AOP case studies: ER/Aromatase Antagonism Leading to Reproductive Dysfunction, AHR1 Activation Leading to Cardiotoxicity, and AChE Inhibition Leading to Acute Mortality, and deduced a taxonomic range of applicability for each AOP. We developed computational tools to automatically access and analyze the pathway activity of AOP-relevant protein orthologs, finding broad similarity among vertebrate species for the ER/Aromatase and AHR1 AOPs, and similarity extending to invertebrate animal species for AChE inhibition. Additionally, we used public gene expression data to find groups of highly co-expressed genes, and compared those groups across organisms. To interpret these findings at a higher level of biological organization, we created the AOPdb, a relational database that mines results from sources including NCBI, KEGG, Reactome, CTD, and OMIM. This multi-source database connects genes,

The chemistry side of AOP: implications for toxicity ...

EPA Pesticide Factsheets

An adverse outcome pathway (AOP) is a structured representation of the biological events that lead to adverse impacts following a molecular initiating event caused by chemical interaction with a macromolecule. AOPs have been proposed to facilitate toxicity extrapolation across species through understanding of species similarity in the sequence of molecular, cellular, organ and organismal level responses. However, AOPs are non-specific regarding the identity of the chemical initiators, and the range of structures for which an AOP is considered applicable has generally been poorly defined. Applicability domain has been widely understood in the field of QSAR as the response and chemical structure space in which the model makes predictions with a given reliability, and has been traditionally applied to define the similarity of query molecules within the training set. Three dimensional (3D) receptor modeling offers an approach to better define the applicability domain for selected AOPs through determination of the chemical space of the molecular initiating event. Universal 3D-QSAR models were developed for acetylcholinesterase inhibitors and estrogen receptor agonists and antagonists using a combination of fingerprint, molecular docking and structure-based pharmacophore approaches. The models were based on the critical molecular interactions within each receptor ligand binding domain, and included the key amino acid residues responsible for high binding affinity. T

Application of Adverse Outcome Pathways (AOPs) in Human ...

EPA Pesticide Factsheets

The adverse outcome pathway (AOP) framework was developed to help organize and disseminate existing knowledge concerning the means through which specific perturbations of biological pathways can lead to adverse outcomes considered relevant to risk-based regulatory decision-making. Because many fundamental molecular and cellular pathways are conserved across taxa, data from assays that screen chemicals for their ability to interact with specific biomolecular targets can often be credibly applied to a broad range of species, even if the apical outcomes of those perturbations may differ. Information concerning the different trajectories of adversity that molecular initiating events may take in different taxa, life stages, and sexes of organisms can be captured in the form of an AOP network. As an example, AOPs documenting divergent consequences of thyroid peroxidase (TPO) and deiodinase (DIO) inhibition in mammals, amphibians, and fish have been developed. These AOPs provide the foundation for using data from common in vitro assays for TPO or DIO activity to inform both human health and ecological risk assessments. They also provide the foundation for an integrated approach to testing and assessment, where available information and biological understanding can be integrated in order to formulate plausible and testable hypotheses which can be used to target in vivo testing on the endpoints of greatest concern. Application of this AOP knowledge in several different r

Application of adverse outcome pathways (AOPs) in human ...

EPA Pesticide Factsheets

The adverse outcome pathway (AOP) framework was developed to help organize and disseminate existing knowledge concerning the means through which specific perturbations of biological pathways can lead to adverse outcomes considered relevant to risk-based regulatory decision-making. Because many fundamental molecular and cellular pathways are conserved across taxa, data from assays that screen chemicals for their ability to interact with specific biomolecular targets can often be credibly applied to a broad range of species, even if the apical outcomes of those perturbations may differ. Information concerning the different trajectories of adversity that molecular initiating events may take in different taxa, life stages, and sexes of organisms can be captured in the form of an AOP network. As an example, AOPs documenting divergent consequences of thyroid peroxidase (TPO) and deiodinase (DIO) inhibition in mammals, amphibians, and fish have been developed. These AOPs provide the foundation for using data from common in vitro assays for TPO or DIO activity to inform both human health and ecological risk assessments. They also provide the foundation for an integrated approach to testing and assessment, where available information and biological understanding can be integrated in order to formulate plausible and testable hypotheses which can be used to target in vivo testing on the endpoints of greatest concern. Application of this AOP knowledge in several different r

Advancing the Adverse Outcome Pathway Framework - an ...

EPA Pesticide Factsheets

The ability of scientists to conduct whole organism toxicity tests to understand chemical safety has been significantly outpaced by the rapid synthesis of new chemicals. Therefore, to increase efficiencies in chemical risk assessment, scientists are turning to mechanistic-based studies, making greater use of in vitro and in silico methods, to screen for potential environmental and human health hazards. A framework that has gained traction for capturing available knowledge describing the linkage between mechanistic data and apical toxicity endpoints, required for regulatory assessments, is the adverse outcome pathway (AOP). A number of international activities have focused on AOP development and plausible applications to regulatory decision-making. These interactions have prompted dialog between research scientists and regulatory communities to consider how best to use the AOP framework in risk assessment. While expert-facilitated discussions have been instrumental in moving the science of AOPs forward, it was recognized that a survey of the broader scientific community would aid in identifying shortcomings and guiding future initiatives for the AOP framework. To that end, a ?‘Horizon Scanning’ exercise was conducted to solicit questions from the global scientific and regulatory communities concerning the challenges or limitations that must be addressed to realize the full potential of the AOP framework in research and regulatory decision making. The m

How Adverse Outcome Pathways Can Aid the Development and Use of Computational Prediction Models for Regulatory Toxicology

PubMed Central

Aladjov, Hristo; Ankley, Gerald; Byrne, Hugh J.; de Knecht, Joop; Heinzle, Elmar; Klambauer, Günter; Landesmann, Brigitte; Luijten, Mirjam; MacKay, Cameron; Maxwell, Gavin; Meek, M. E. (Bette); Paini, Alicia; Perkins, Edward; Sobanski, Tomasz; Villeneuve, Dan; Waters, Katrina M.; Whelan, Maurice

2017-01-01

Efforts are underway to transform regulatory toxicology and chemical safety assessment from a largely empirical science based on direct observation of apical toxicity outcomes in whole organism toxicity tests to a predictive one in which outcomes and risk are inferred from accumulated mechanistic understanding. The adverse outcome pathway (AOP) framework provides a systematic approach for organizing knowledge that may support such inference. Likewise, computational models of biological systems at various scales provide another means and platform to integrate current biological understanding to facilitate inference and extrapolation. We argue that the systematic organization of knowledge into AOP frameworks can inform and help direct the design and development of computational prediction models that can further enhance the utility of mechanistic and in silico data for chemical safety assessment. This concept was explored as part of a workshop on AOP-Informed Predictive Modeling Approaches for Regulatory Toxicology held September 24–25, 2015. Examples of AOP-informed model development and its application to the assessment of chemicals for skin sensitization and multiple modes of endocrine disruption are provided. The role of problem formulation, not only as a critical phase of risk assessment, but also as guide for both AOP and complementary model development is described. Finally, a proposal for actively engaging the modeling community in AOP-informed computational model development is made. The contents serve as a vision for how AOPs can be leveraged to facilitate development of computational prediction models needed to support the next generation of chemical safety assessment. PMID:27994170

Advanced Oxidation Process sanitization of hatching eggs reduces Salmonella in broiler chicks.

PubMed

Rehkopf, A C; Byrd, J A; Coufal, C D; Duong, T

2017-10-01

The microbial quality of eggs entering the hatchery is an important critical control point for biosecurity, pathogen reduction, and food safety programs in poultry production. Developing interventions to reduce Salmonella contamination of eggs is important to improving the microbial food safety of poultry and poultry products. The hydrogen peroxide (H2O2) and ultraviolet light (UV) Advanced Oxidation Process (AOP) has been previously demonstrated to be effective in reducing Salmonella on the surface of experimentally contaminated eggs. The objective of this study was to evaluate the effect of treating eggs with an egg-sanitizing apparatus using the H2O2/UV AOP on Salmonella contamination during incubation, hatching, and in broiler chicks during grow-out. Experimentally contaminated eggs were treated using the automated H2O2/UV AOP egg sanitizer and incubated for 21 d. AOP sanitization reduced Salmonella up to 7 log10 cfu egg-1 (P < 0.05) from the surface of experimentally contaminated eggs and reduced the number of Salmonella positive eggs by up to 75% (P < 0.05) when treated 1 h post-inoculation. AOP treatment also reduced the number of Salmonella-positive eggs during incubation. Additionally, Salmonella was recovered from more chicks hatched from untreated eggs than from eggs treated using the H2O2/UV AOP egg sanitizer (P < 0.05) through 14 d posthatch. These data suggest reduction of Salmonella contamination on the surface of eggs using the H2O2/UV AOP egg sanitizer prior to incubation may reduce the gastrointestinal colonization of chicks by Salmonella. © 2017 Poultry Science Association Inc.

Adverse Outcome Pathways can drive non-animal approaches for safety assessment

PubMed Central

Burden, Natalie; Sewell, Fiona; Andersen, Melvin E; Boobis, Alan; Chipman, J Kevin; Cronin, Mark T D; Hutchinson, Thomas H; Kimber, Ian; Whelan, Maurice

2015-01-01

Adverse Outcome Pathways (AOPs) provide an opportunity to develop new and more accurate safety assessment processes for drugs and other chemicals, and may ultimately play an important role in regulatory decision making. Not only can the development and application of AOPs pave the way for the development of improved evidence-based approaches for hazard and risk assessment, there is also the promise of a significant impact on animal welfare, with a reduced reliance on animal-based methods. The establishment of a useable and coherent knowledge framework under which AOPs will be developed and applied has been a first critical step towards realizing this opportunity. This article explores how the development of AOPs under this framework, and their application in practice, could benefit the science and practice of safety assessment, while in parallel stimulating a move away from traditional methods towards an increased acceptance of non-animal approaches. We discuss here the key areas where current, and future initiatives should be focused to enable the translation of AOPs into routine chemical safety assessment, and lasting 3Rs benefits. © 2015 The Authors. Journal of Applied Toxicology published by John Wiley & Sons Ltd. This article explores how the development and application of Adverse Outcome Pathways (AOPs) could benefit the science and practice of chemical safety assessment, with a particular focus on how their use in practice could reduce reliance on traditional animal toxicity tests. This includes discussion of the key areas where current and future initiatives should be focused to enable the translation of AOPs into routine chemical safety assessment, and lasting 3Rs benefits. PMID:25943792

Advanced On-Board Processor (AOP). [for future spacecraft applications

NASA Technical Reports Server (NTRS)

1973-01-01

Advanced On-board Processor the (AOP) uses large scale integration throughout and is the most advanced space qualified computer of its class in existence today. It was designed to satisfy most spacecraft requirements which are anticipated over the next several years. The AOP design utilizes custom metallized multigate arrays (CMMA) which have been designed specifically for this computer. This approach provides the most efficient use of circuits, reduces volume, weight, assembly costs and provides for a significant increase in reliability by the significant reduction in conventional circuit interconnections. The required 69 CMMA packages are assembled on a single multilayer printed circuit board which together with associated connectors constitutes the complete AOP. This approach also reduces conventional interconnections thus further reducing weight, volume and assembly costs.

Comparison of Infectious Agents Susceptibility to Photocatalytic Effects of Nanosized Titanium and Zinc Oxides: A Practical Approach

NASA Astrophysics Data System (ADS)

Bogdan, Janusz; Zarzyńska, Joanna; Pławińska-Czarnak, Joanna

2015-08-01

Nanotechnology contributes towards a more effective eradication of pathogens that have emerged in hospitals, veterinary clinics, and food processing plants and that are resistant to traditional drugs or disinfectants. Since new methods of pathogens eradication must be invented and implemented, nanotechnology seems to have become the response to that acute need. A remarkable achievement in this field of science was the creation of self-disinfecting surfaces that base on advanced oxidation processes (AOPs). Thus, the phenomenon of photocatalysis was practically applied. Among the AOPs that have been most studied in respect of their ability to eradicate viruses, prions, bacteria, yeasts, and molds, there are the processes of TiO2/UV and ZnO/UV. Titanium dioxide (TiO2) and zinc oxide (ZnO) act as photocatalysts, after they have been powdered to nanoparticles. Ultraviolet (UV) radiation is an agent that determines their excitation. Methods using photocatalytic properties of nanosized TiO2 and ZnO prove to be highly efficient in inactivation of infectious agents. Therefore, they are being applied on a growing scale. AOP-based disinfection is regarded as a very promising tool that might help overcome problems in food hygiene and public health protection. The susceptibility of infectious agents to photocatalylic processes can be generally arranged in the following order: viruses > prions > Gram-negative bacteria > Gram-positive bacteria > yeasts > molds.

How Adverse Outcome Pathways Can Aid the Development and Use of Computational Prediction Models for Regulatory Toxicology.

PubMed

Wittwehr, Clemens; Aladjov, Hristo; Ankley, Gerald; Byrne, Hugh J; de Knecht, Joop; Heinzle, Elmar; Klambauer, Günter; Landesmann, Brigitte; Luijten, Mirjam; MacKay, Cameron; Maxwell, Gavin; Meek, M E Bette; Paini, Alicia; Perkins, Edward; Sobanski, Tomasz; Villeneuve, Dan; Waters, Katrina M; Whelan, Maurice

2017-02-01

Efforts are underway to transform regulatory toxicology and chemical safety assessment from a largely empirical science based on direct observation of apical toxicity outcomes in whole organism toxicity tests to a predictive one in which outcomes and risk are inferred from accumulated mechanistic understanding. The adverse outcome pathway (AOP) framework provides a systematic approach for organizing knowledge that may support such inference. Likewise, computational models of biological systems at various scales provide another means and platform to integrate current biological understanding to facilitate inference and extrapolation. We argue that the systematic organization of knowledge into AOP frameworks can inform and help direct the design and development of computational prediction models that can further enhance the utility of mechanistic and in silico data for chemical safety assessment. This concept was explored as part of a workshop on AOP-Informed Predictive Modeling Approaches for Regulatory Toxicology held September 24-25, 2015. Examples of AOP-informed model development and its application to the assessment of chemicals for skin sensitization and multiple modes of endocrine disruption are provided. The role of problem formulation, not only as a critical phase of risk assessment, but also as guide for both AOP and complementary model development is described. Finally, a proposal for actively engaging the modeling community in AOP-informed computational model development is made. The contents serve as a vision for how AOPs can be leveraged to facilitate development of computational prediction models needed to support the next generation of chemical safety assessment. © The Author 2016. Published by Oxford University Press on behalf of the Society of Toxicology.

Relationship between intrapartum transperineal ultrasound measurement of angle of progression and head-perineum distance with correlation to conventional clinical parameters of labor progress and time to delivery.

PubMed

Chan, Ying Tze Viola; Ng, Vivian Kwun Sin; Yung, Wai Kuen; Lo, Tsz Kin; Leung, Wing Cheong; Lau, Wai Lam

2015-08-01

To assess whether angle of progression (AOP) and head-perineum distance (HPD) measured by intrapartum transperineal ultrasound (ITU) correlate with clinical fetal head station (station); and whether AOP versus HPD varies during uterine contraction and relaxation. In a subset of primiparous women, whether these ITU parameters correlate with time to normal spontaneous delivery (TD). We evaluated prospectively 100 primiparous and multiparous women at term in active labor. Transabdominal and transperineal ultrasound (sagittal and transverse plane) were used to measure fetal head position and ITU parameters, respectively. Digitally palpated station and cervical dilatation were also noted. The results were compared using regression and correlation coefficients. Station was moderately correlated with AOP (r = 0.579) and HPD (r = -0.497). AOP was highly correlated with HPD during uterine contraction (r = -0.703) and relaxation (r = -0.647). In the subgroup of primiparous women, natural log of TD has the highest correlation with HPD and AOP during uterine contraction (r = 0.742), making prediction of TD similar to that of using cervical dilatation. ITU parameters were moderately correlated with station. There was constant high correlation between AOP and HPD. Prediction of TD in primiparous women using ITU parameters was similar to that of using cervical dilatation.

Feasibility studies: UV/chlorine advanced oxidation treatment for the removal of emerging contaminants.

PubMed

Sichel, C; Garcia, C; Andre, K

2011-12-01

UV/chlorine (UV/HOCl and UV/ClO(2)) Advanced Oxidation Processes (AOPs) were assessed with varying process layout and compared to the state of the art UV/H(2)O(2) AOP. The process comparison focused on the economical and energy saving potential of the UV/chlorine AOP. Therefore the experiments were performed at technical scale (250 L/h continuous flow reactor) and at process energies, oxidant and model contaminant concentrations expected in full scale reference plants. As model compounds the emerging contaminants (ECs): desethylatrazine, sulfamethoxazole, carbamazepine, diclofenac, benzotriazole, tolyltriazole, iopamidole and 17α-ethinylestradiol (EE2) were degraded at initial compound concentrations of 1 μg/L in tap water and matrixes with increased organic load (46 mg/L DOC). UV/chlorine AOP organic by-product forming potential was assessed for trihalomethanes (THMs) and N-Nitrosodimethylamine (NDMA). A process design was evaluated which can considerably reduce process costs, energy consumption and by-product generation from UV/HOCl AOPs. Copyright © 2011 Elsevier Ltd. All rights reserved.

Structure-reactivity relationship of naphthenic acids in the photocatalytic degradation process.

PubMed

de Oliveira Livera, Diogo; Leshuk, Tim; Peru, Kerry M; Headley, John V; Gu, Frank

2018-06-01

Bitumen extraction in Canada's oil sands generates oil sands process-affected water (OSPW) as a toxic by-product. Naphthenic acids (NAs) contribute to the water's toxicity, and treatment methods may need to be implemented to enable safe discharge. Heterogeneous photocatalysis is a promising advanced oxidation process (AOP) for OSPW remediation, however, its successful implementation requires understanding of the complicated relationship between structure and reactivity of NAs. This work aimed to study the effect of various structural properties of model compounds on the photocatalytic degradation kinetics via high resolution mass spectrometry (HRMS), including diamondoid structures, heteroatomic species, and degree of unsaturation. The rate of photocatalytic treatment increased significantly with greater structural complexity, namely with carbon number, aromaticity and degree of cyclicity, properties that render particular NAs recalcitrant to biodegradation. It is hypothesized that a superoxide radical-mediated pathway explains these observations and offers additional benefits over traditional hydroxyl radical-based AOPs. Detailed structure-reactivity investigations of NAs in photocatalysis have not previously been undertaken, and the results described herein illustrate the potential benefit of combining photocatalysis and biodegradation as a complete OSPW remediation technology. Copyright © 2018 Elsevier Ltd. All rights reserved.

The adverse outcome pathway for skin sensitisation: Moving closer to replacing animal testing.

PubMed

Schultz, Terry W; Dimitrova, Gergana; Dimitrov, Sabcho; Mekenyan, Ovanes G

2016-10-01

This article outlines the work of the Organisation for Economic Co-operation and Development (OECD) that led to being jointly awarded the 2015 Lush Black Box Prize. The award-winning work centred on the development of 'The Adverse Outcome Pathway for Skin Sensitisation Initiated by Covalent Binding to Proteins'. This Adverse Outcome Pathway (AOP) has provided the mechanistic basis for the integration of skin sensitisation-related information. Recent developments in integrated approaches to testing and assessment, based on the AOP, are summarised. The impact of the AOP on regulatory policy and on the Three Rs are discussed. An overview of the next generation of the skin sensitisation AOP module in the OECD QSAR Toolbox, based on more-recent work at the Laboratory of Mathematical Chemistry, is also presented. 2016 FRAME.

Visual performance of four simultaneous-image multifocal contact lenses under dim and glare conditions.

PubMed

García-Lázaro, Santiago; Ferrer-Blasco, Teresa; Madrid-Costa, David; Albarrán-Diego, César; Montés-Micó, Robert

2015-01-01

To assess and compare the effects of four simultaneous-image multifocal contact lenses (SIMCLs), and those with distant-vision-only contact lenses on visual performance in early presbyopes, under dim conditions, including the effects of induced glare. In this double-masked crossover study design, 28 presbyopic subjects aged 40 to 46 years were included. All participants were fitted with the four different SIMCLs (Air Optix Aqua Multifocal [AOAM; Alcon], PureVision Multifocal [PM; Bausch & Lomb], Acuvue Oasys for Presbyopia [AOP; Johnson & Johnson Vision], and Biofinity Multifocal [BM; CooperVision]) and with monofocal contact lenses (Air Optix Aqua, Alcon). After 1 month of daily contact lens wearing, each subject's binocular distance visual acuity (BDVA) and binocular distance contrast sensitivity (BDCS) were measured using the Functional Visual Analyzer (Stereo Optical Co., Inc.) under mesopic conditions (3 candela [cd]/m) both with no glare and under the 2 levels of induced glare: 1.0 lux (glare 1) and 28 lux (glare 2). Among the SIMCLs, in terms of BDVA, AOAM and PM outperformed BM and AOP. All contact lenses performed better at level without glare, followed by Glare 1, and with the worst results obtained under glare 2. Binocular distance contrast sensitivity revealed statistically significant differences for 12 cycles per degree (cpd). Among the SIMCLs, post hoc multiple comparison testing revealed that AOAM and PM provided the best BDCS at the three luminance levels. In both cases, BDVA and BDCS at 12 cpd, monofocal contact lenses outperformed all SIMCL ones at all lighting conditions. Air Optix Aqua Multifocal and PM provided better visual performance than BM and AOP for distance vision with low addition and under dim conditions, but they all provide worse performance than monofocal contact lenses.

Development and application of the adverse outcome pathway framework for understanding and predicting chronic toxicity: I. Challenges and research needs in ecotoxicology.

PubMed

Groh, Ksenia J; Carvalho, Raquel N; Chipman, James K; Denslow, Nancy D; Halder, Marlies; Murphy, Cheryl A; Roelofs, Dick; Rolaki, Alexandra; Schirmer, Kristin; Watanabe, Karen H

2015-02-01

To elucidate the effects of chemicals on populations of different species in the environment, efficient testing and modeling approaches are needed that consider multiple stressors and allow reliable extrapolation of responses across species. An adverse outcome pathway (AOP) is a concept that provides a framework for organizing knowledge about the progression of toxicity events across scales of biological organization that lead to adverse outcomes relevant for risk assessment. In this paper, we focus on exploring how the AOP concept can be used to guide research aimed at improving both our understanding of chronic toxicity, including delayed toxicity as well as epigenetic and transgenerational effects of chemicals, and our ability to predict adverse outcomes. A better understanding of the influence of subtle toxicity on individual and population fitness would support a broader integration of sublethal endpoints into risk assessment frameworks. Detailed mechanistic knowledge would facilitate the development of alternative testing methods as well as help prioritize higher tier toxicity testing. We argue that targeted development of AOPs supports both of these aspects by promoting the elucidation of molecular mechanisms and their contribution to relevant toxicity outcomes across biological scales. We further discuss information requirements and challenges in application of AOPs for chemical- and site-specific risk assessment and for extrapolation across species. We provide recommendations for potential extension of the AOP framework to incorporate information on exposure, toxicokinetics and situation-specific ecological contexts, and discuss common interfaces that can be employed to couple AOPs with computational modeling approaches and with evolutionary life history theory. The extended AOP framework can serve as a venue for integration of knowledge derived from various sources, including empirical data as well as molecular, quantitative and evolutionary-based models describing species responses to toxicants. This will allow a more efficient application of AOP knowledge for quantitative chemical- and site-specific risk assessment as well as for extrapolation across species in the future. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

Ab initio optimization principle for the ground states of translationally invariant strongly correlated quantum lattice models.

PubMed

Ran, Shi-Ju

2016-05-01

In this work, a simple and fundamental numeric scheme dubbed as ab initio optimization principle (AOP) is proposed for the ground states of translational invariant strongly correlated quantum lattice models. The idea is to transform a nondeterministic-polynomial-hard ground-state simulation with infinite degrees of freedom into a single optimization problem of a local function with finite number of physical and ancillary degrees of freedom. This work contributes mainly in the following aspects: (1) AOP provides a simple and efficient scheme to simulate the ground state by solving a local optimization problem. Its solution contains two kinds of boundary states, one of which play the role of the entanglement bath that mimics the interactions between a supercell and the infinite environment, and the other gives the ground state in a tensor network (TN) form. (2) In the sense of TN, a novel decomposition named as tensor ring decomposition (TRD) is proposed to implement AOP. Instead of following the contraction-truncation scheme used by many existing TN-based algorithms, TRD solves the contraction of a uniform TN in an opposite way by encoding the contraction in a set of self-consistent equations that automatically reconstruct the whole TN, making the simulation simple and unified; (3) AOP inherits and develops the ideas of different well-established methods, including the density matrix renormalization group (DMRG), infinite time-evolving block decimation (iTEBD), network contractor dynamics, density matrix embedding theory, etc., providing a unified perspective that is previously missing in this fields. (4) AOP as well as TRD give novel implications to existing TN-based algorithms: A modified iTEBD is suggested and the two-dimensional (2D) AOP is argued to be an intrinsic 2D extension of DMRG that is based on infinite projected entangled pair state. This paper is focused on one-dimensional quantum models to present AOP. The benchmark is given on a transverse Ising chain and 2D classical Ising model, showing the remarkable efficiency and accuracy of the AOP.

Use of the NASA GEOS-5 SEAC4RS Meteorological and Aerosol Reanalysis for assessing simulated aerosol optical properties as a function of smoke age

NASA Astrophysics Data System (ADS)

Randles, C. A.; da Silva, A. M., Jr.; Colarco, P. R.; Darmenov, A.; Buchard, V.; Govindaraju, R.; Chen, G.; Hair, J. W.; Russell, P. B.; Shinozuka, Y.; Wagner, N.; Lack, D.

2014-12-01

The NASA Goddard Earth Observing System version 5 (GEOS-5) Earth system model, which includes an online aerosol module, provided chemical and weather forecasts during the SEAC4RS field campaign. For post-mission analysis, we have produced a high resolution (25 km) meteorological and aerosol reanalysis for the entire campaign period. In addition to the full meteorological observing system used for routine NWP, we assimilate 550 nm aerosol optical depth (AOD) derived from MODIS (both Aqua and Terra satellites), ground-based AERONET sun photometers, and the MISR instrument (over bright surfaces only). Daily biomass burning emissions of CO, CO2, SO2, and aerosols are derived from MODIS fire radiative power retrievals. We have also introduced novel smoke "age" tracers, which provide, for a given time, a snapshot histogram of the age of simulated smoke aerosol. Because GEOS-5 assimilates remotely sensed AOD data, it generally reproduces observed (column) AOD compared to, for example, the airborne 4-STAR instrument. Constraining AOD, however, does not imply a good representation of either the vertical profile or the aerosol microphysical properties (e.g., composition, absorption). We do find a reasonable vertical structure for aerosols is attained in the model, provided actual smoke injection heights are not much above the planetary boundary layer, as verified with observations from DIAL/HRSL aboard the DC8. The translation of the simulated aerosol microphysical properties to total column AOD, needed in the aerosol assimilation step, is based on prescribed mass extinction efficiencies that depend on wavelength, composition, and relative humidity. Here we also evaluate the performance of the simulated aerosol speciation by examining in situ retrievals of aerosol absorption/single scattering albedo and scattering growth factor (f(RH)) from the LARGE and AOP suite of instruments. Putting these comparisons in the context of smoke age as diagnosed by the model helps us to revise assumed aerosol optical properties for an improved representation of aerosol radiative forcing.

48 CFR 601.105-3 - Copies.

Code of Federal Regulations, 2010 CFR

2010-10-01

... the Department's Intranet system at http://aope.a.state.gov, or through the Internet from A/OPE's Acquisition Web site. The Internet address is: http://www.statebuy.state.gov/. [69 FR 19329, Apr. 13, 2004] ...

48 CFR 601.105-3 - Copies.

Code of Federal Regulations, 2014 CFR

2014-10-01

... the Department's Intranet system at http://aope.a.state.gov, or through the Internet from A/OPE's Acquisition Web site. The Internet address is: http://www.statebuy.state.gov/. [69 FR 19329, Apr. 13, 2004] ...

48 CFR 601.105-3 - Copies.

Code of Federal Regulations, 2013 CFR

2013-10-01

... the Department's Intranet system at http://aope.a.state.gov, or through the Internet from A/OPE's Acquisition Web site. The Internet address is: http://www.statebuy.state.gov/. [69 FR 19329, Apr. 13, 2004] ...

48 CFR 601.105-3 - Copies.

Code of Federal Regulations, 2012 CFR

2012-10-01

... the Department's Intranet system at http://aope.a.state.gov, or through the Internet from A/OPE's Acquisition Web site. The Internet address is: http://www.statebuy.state.gov/. [69 FR 19329, Apr. 13, 2004] ...

48 CFR 601.105-3 - Copies.

Code of Federal Regulations, 2011 CFR

2011-10-01

... the Department's Intranet system at http://aope.a.state.gov, or through the Internet from A/OPE's Acquisition Web site. The Internet address is: http://www.statebuy.state.gov/. [69 FR 19329, Apr. 13, 2004] ...

A catalog of putative adverse outcome pathways (AOPs) that ...

EPA Pesticide Factsheets

A number of putative AOPs for several distinct MIEs of thyroid disruption have been formulated for amphibian metamorphosis and fish swim bladder inflation. These have been entered into the AOP knowledgebase on the OECD WIKI. The EDSP has been actively advancing high-throughput screening for chemical activity toward estrogen, androgen and thyroid targets. However, it has been recently identified that coverage for thyroid-related targets is lagging behind estrogen and androgen assay coverage. As thyroid-related medium-high throughput assays are actively being developed for inclusion in the ToxCast chemical screening program, a parallel effort is underway to characterize putative adverse outcome pathways (AOPs) specific to these thyroid-related targets. This effort is intended to provide biological and ecological context that will enhance the utility of ToxCast high throughput screening data for hazard identification.

Agent oriented programming: An overview of the framework and summary of recent research

NASA Technical Reports Server (NTRS)

Shoham, Yoav

1993-01-01

This is a short overview of the agent-oriented programming (AOP) framework. AOP can be viewed as an specialization of object-oriented programming. The state of an agent consists of components called beliefs, choices, capabilities, commitments, and possibly others; for this reason the state of an agent is called its mental state. The mental state of agents is captured formally in an extension of standard epistemic logics: beside temporalizing the knowledge and belief operators, AOP introduces operators for commitment, choice and capability. Agents are controlled by agent programs, which include primitives for communicating with other agents. In the spirit of speech-act theory, each communication primitive is of a certain type: informing, requesting, offering, etc. This document describes these features in more detail and summarizes recent results and ongoing AOP-related work.

Birth weight and obstetric complications determine age at onset in first episode of psychosis.

PubMed

Rubio-Abadal, E; Ochoa, S; Barajas, A; Baños, I; Dolz, M; Sanchez, B; Del Cacho, N; Carlson, J; Huerta-Ramos, E; Usall, J

2015-06-01

Earlier age at onset of psychosis (AOP) has been associated with poor social adjustment and clinical outcome. Genetic and environmental factors such as obstetric complications, parental history of psychosis, advanced paternal age at time of birth, low birth weight and gestational age, and use of drugs have been described as bringing AOP forward. This study aims to evaluate the relationship between AOP and these factors in a sample of first episode of psychosis (FEP) patients. Clinical and sociodemographic data, age at FEP, age of parents at birth, parental history of psychosis, drug-use habits of the mother during pregnancy and of the patient before psychotic onset, and Lewis and Murray obstetric complication scale were obtained from 90 patients with FEP. Statistical analysis was performed by means of Pearson correlations, Chi-square tests, Student T-test analyses and a linear regression model using SPSS version 22. Pre-eclampsia, need for incubator at birth, use of forceps, parental history of psychosis, and low birth weight were associated with an earlier AOP. Use of forceps and birth weight are the variables which best predict AOP in FEP. Stimulant drugs, which were mostly used together with cannabis and cocaine, were the only substances associated with an earlier AOP. Our findings are consistent with previous study results and underline the role of the prenatal period in the development of psychosis and the importance of careful monitoring of pregnancy and delivery, especially in cases with familial history. Copyright © 2015 Elsevier Ltd. All rights reserved.

Developing confidence in adverse outcome pathway-based ...

EPA Pesticide Factsheets

An adverse outcome pathway (AOP) description linking inhibition of aromatase (cytochrome P450 [cyp] 19) to reproductive dysfunction was reviewed for scientific and technical quality and endorsed by the OECD (https://aopwiki.org/wiki/index.php/Aop:25). An intended application of the AOP framework is to support the use of mechanistic or pathway-based data to infer or predict chemical hazards and apical adverse outcomes. As part of this work, ToxCast high throughput screening data were used to identify a chemicals’ ability to inhibit aromatase activity in vitro. Twenty-four hour in vivo exposures, focused on effects on production and circulating concentrations of 17â-estradiol (E2), key events in the AOP, were conducted to verify in vivo activity. Based on these results, imazalil was selected as a case study chemical to test an AOP-based hazard prediction. A computational model of the fish hypothalamic-pituitary-gonadal-liver axis and a statistically-based model of oocyte growth dynamics were used to predict impacts of different concentrations of imazalil on multiple key events along the AOP, assuming continuous exposure for 21 d. Results of the model simulations were used to select test concentrations and design a fathead minnow reproduction study in which fish were exposed to 20, 60, or 200 µg imazalil/L for durations of 2.5, 10, or 21d. Within 60 h of exposure, female fathead minnows showed significant reductions in ex vivo production of E2, circulating E2 c

Correlation between clinical fetal head station and sonographic angle of progression during the second stage of labor.

PubMed

Perlman, Sharon; Kivilevitch, Zvi; Moran, Orit; Katorza, Eldad; Kees, Salim; Achiron, Reuven; Gilboa, Yinon

2017-08-04

To investigate the correlation between the angle of progression and the clinical fetal head station (FHS) during the second stage of labor, and to build reference range. A prospective, observational study was conducted. Women carrying singleton term pregnancies were enrolled during the second stage of labor. FHS was assessed manually by a senior obstetrician, while the angle of progression (AOP) was assessed by transperineal ultrasound (TPU). Both examiners were blinded to each others results. The correlation between the sonographic AOP and the clinical FHS was analyzed. Seventy patients comprised the study group. Clinical FHS demonstrated an excellent correlation with the sonographic measurement of AOP (Pearson's Correlation 0.642, p < 0.001). This correlation was best described by a cubic regression according to the formula: 123.800 + 10.290 × FHS -2.889 * FHS +0.910, (r 2  = 0.423, p < .001). After aggregation of the mean AOP per FHS, the relative predicted centiles values and standard deviation were calculated. The mean Z score between measured and predicted values of the AOP for a given FHS was 0.007 (range -0.13 to +0.006). Our results demonstrate a significant correlation between the clinical FHS and the TPU measured AOP. These standardized sonographic values may serve the obstetrician as a reliable, objective auxiliary tool for the evaluation of the FHS during the second stage of labor.

Putative adverse outcome pathways relevant to neurotoxicity

PubMed Central

Bal-Price, Anna; Crofton, Kevin M.; Sachana, Magdalini; Shafer, Timothy J.; Behl, Mamta; Forsby, Anna; Hargreaves, Alan; Landesmann, Brigitte; Lein, Pamela J.; Louisse, Jochem; Monnet-Tschudi, Florianne; Paini, Alicia; Rolaki, Alexandra; Schrattenholz, André; Suñol, Cristina; van Thriel, Christoph; Whelan, Maurice; Fritsche, Ellen

2016-01-01

The Adverse Outcome Pathway (AOP) framework provides a template that facilitates understanding of complex biological systems and the pathways of toxicity that result in adverse outcomes (AOs). The AOP starts with an molecular initiating event (MIE) in which a chemical interacts with a biological target(s), followed by a sequential series of KEs, which are cellular, anatomical, and/or functional changes in biological processes, that ultimately result in an AO manifest in individual organisms and populations. It has been developed as a tool for a knowledge-based safety assessment that relies on understanding mechanisms of toxicity, rather than simply observing its adverse outcome. A large number of cellular and molecular processes are known to be crucial to proper development and function of the central (CNS) and peripheral nervous systems (PNS). However, there are relatively few examples of well-documented pathways that include causally linked MIEs and KEs that result in adverse outcomes in the CNS or PNS. As a first step in applying the AOP framework to adverse health outcomes associated with exposure to exogenous neurotoxic substances, the EU Reference Laboratory for Alternatives to Animal Testing (EURL ECVAM) organized a workshop (March 2013, Ispra, Italy) to identify potential AOPs relevant to neurotoxic and developmental neurotoxic outcomes. Although the AOPs outlined during the workshop are not fully described, they could serve as a basis for further, more detailed AOP development and evaluation that could be useful to support human health risk assessment in a variety of ways. PMID:25605028

Dynamics of Chemical Degradation in Water Using Photocatalytic Reactions in an Ultraviolet Light Emitting Diode Reactor

DTIC Science & Technology

2017-09-14

one such study, AOPs were investigated for the removal of organophosphorus pesticides in wastewater by selecting and optimizing oxidation processes...micropollutants (primarily pharmaceuticals, personal care products, and pesticides ) in four 64 different river water sources (Colorado River, Passaic...the National Institutes of Health PubChem data repository (National Institutes of Health 2016). Additional chemical properties were also selected for

Development and Evaluation of an Airborne Separation Assurance System for Autonomous Aircraft Operations

NASA Technical Reports Server (NTRS)

Barhydt, Richard; Palmer, Michael T.; Eischeid, Todd M.

2004-01-01

NASA Langley Research Center is developing an Autonomous Operations Planner (AOP) that functions as an Airborne Separation Assurance System for autonomous flight operations. This development effort supports NASA s Distributed Air-Ground Traffic Management (DAG-TM) operational concept, designed to significantly increase capacity of the national airspace system, while maintaining safety. Autonomous aircraft pilots use the AOP to maintain traffic separation from other autonomous aircraft and managed aircraft flying under today's Instrument Flight Rules, while maintaining traffic flow management constraints assigned by Air Traffic Service Providers. AOP is designed to facilitate eventual implementation through careful modeling of its operational environment, interfaces with other aircraft systems and data links, and conformance with established flight deck conventions and human factors guidelines. AOP uses currently available or anticipated data exchanged over modeled Arinc 429 data buses and an Automatic Dependent Surveillance Broadcast 1090 MHz link. It provides pilots with conflict detection, prevention, and resolution functions and works with the Flight Management System to maintain assigned traffic flow management constraints. The AOP design has been enhanced over the course of several experiments conducted at NASA Langley and is being prepared for an upcoming Joint Air/Ground Simulation with NASA Ames Research Center.

Kinetics and pathways of ibuprofen degradation by the UV/chlorine advanced oxidation process.

PubMed

Xiang, Yingying; Fang, Jingyun; Shang, Chii

2016-03-01

The UV/chlorine advanced oxidation process (AOP), which forms reactive species such as hydroxyl radicals (HO) and reactive chlorine species (RCS) such as chlorine atoms (Cl) and Cl2(-), is being considered as an alternative to the UV/H2O2 AOP for the degradation of emerging contaminants. This study investigated the kinetics and pathways of the degradation of a recalcitrant pharmaceutical and personal care product (PPCP)-ibuprofen (IBP)-by the UV/chlorine AOP. The degradation of IBP followed the pseudo first-order kinetics. The first-order rate constant was 3.3 times higher in the UV/chlorine AOP than in the UV/H2O2 AOP for a given chemical molar dosage at pH 6. The first-order rate constant decreased from 3.1 × 10(-3) s(-1) to 5.5 × 10(-4) s(-1) with increasing pH from 6 to 9. Both HO and RCS contributed to the degradation, and the contribution of RCS increased from 22% to 30% with increasing pH from 6 to 9. The degradation was initiated by HO-induced hydroxylation and Cl-induced chlorine substitution, and sustained through decarboxylation, demethylation, chlorination and ring cleavage to form more stable products. Significant amounts of chlorinated intermediates/byproducts were formed from the UV/chlorine AOP, and four chlorinated products were newly identified. The yield of total organic chlorine (TOCl) was 31.6 μM after 90% degradation of 50 μM IBP under the experimental conditions. The known disinfection by-products (DBPs) comprised 17.4% of the TOCl. The effects of water matrix in filtered drinking water on the degradation were not significant, demonstrating the practicality of the UV/chlorine AOP for the control of some refractory PPCPs. However, the toxicity of the chlorinated products should be further assessed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Evaluation of advanced oxidation processes for water and wastewater treatment - A critical review.

PubMed

Miklos, David B; Remy, Christian; Jekel, Martin; Linden, Karl G; Drewes, Jörg E; Hübner, Uwe

2018-03-22

This study provides an overview of established processes as well as recent progress in emerging technologies for advanced oxidation processes (AOPs). In addition to a discussion of major reaction mechanisms and formation of by-products, data on energy efficiency were collected in an extensive analysis of studies reported in the peer-reviewed literature enabling a critical comparison of various established and emerging AOPs based on electrical energy per order (E EO ) values. Despite strong variations within reviewed E EO values, significant differences could be observed between three groups of AOPs: (1) O 3 (often considered as AOP-like process), O 3 /H 2 O 2 , O 3 /UV, UV/H 2 O 2 , UV/persulfate, UV/chlorine, and electron beam represent median E EO values of <1 kWh/m 3 , while median energy consumption by (2) photo-Fenton, plasma, and electrolytic AOPs were significantly higher (E EO values in the range of 1-100 kWh/m 3 ). (3) UV-based photocatalysis, ultrasound, and microwave-based AOPs are characterized by median values of >100 kWh/m 3 and were therefore considered as not (yet) energy efficient AOPs. Specific evaluation of 147 data points for the UV/H 2 O 2 process revealed strong effects of operational conditions on reported E EO values. Besides water type and quality, a major influence was observed for process capacity (lab-vs. pilot-vs. full-scale applications) and, in case of UV-based processes, of the lamp type. However, due to the contribution of other factors, correlation of E EO values with specific water quality parameters such as UV absorbance and dissolved organic carbon were not substantial. Also, correlations between E EO and compound reactivity with OH-radicals were not significant (photolytically active compounds were not considered). Based on these findings, recommendations regarding the use of the E EO concept, including the upscaling of laboratory results, were derived. Copyright © 2018 Elsevier Ltd. All rights reserved.

Extended depth of focus contact lenses vs. two commercial multifocals: Part 2. Visual performance after 1 week of lens wear.

PubMed

Bakaraju, Ravi C; Tilia, Daniel; Sha, Jennifer; Diec, Jennie; Chung, Jiyoon; Kho, Danny; Delaney, Shona; Munro, Anna; Thomas, Varghese

To compare the visual performance of prototype contact lenses designed via deliberate manipulation of higher-order spherical aberrations to extend-depth-of-focus with two commercial multifocals, after 1 week of lens wear. In a prospective, participant-masked, cross-over, randomized, 1-week dispensing clinical-trial, 43 presbyopes [age: 42-63 years] each wore AIROPTIX Aqua multifocal (AOMF), ACUVUE OASYS for presbyopia (AOP) and extended-depth-of-focus prototypes (EDOF) appropriate to their add requirements. Measurements comprised high-contrast-visual-acuity (HCVA) at 6m, 70cm, 50cm and 40cm; low-contrast-visual-acuity (LCVA) and contrast-sensitivity (CS) at 6m and stereopsis at 40cm. A self-administered questionnaire on a numeric-rating-scale (1-10) assessed subjective visual performance comprising clarity-of-vision and lack-of-ghosting at various distances during day/night-viewing conditions and overall-vision-satisfaction. EDOF was significantly better than AOMF and AOP for HCVA averaged across distances (p≤0.038); significantly worse than AOMF for LCVA (p=0.021) and significantly worse than AOMF for CS in medium and high add-groups (p=0.006). None of these differences were clinically significant (≤2 letters). EDOF was significantly better than AOMF and AOP for mean stereoacuity (36 and 13 seconds-of-arc, respectively: p≤0.05). For clarity-of-vision, EDOF was significantly better than AOP at all distances and AOMF at intermediate and near (p≤0.028). For lack-of-ghosting averaged across distances, EDOF was significantly better than AOP (p<0.001) but not AOMF (p=0.186). EDOF was significantly better than AOMF and AOP for overall-vision-satisfaction (p≤0.024). EDOF provides better intermediate and near vision performance than either AOMF or AOP with no difference for distance vision after 1 week of lens wear. Copyright © 2017 Spanish General Council of Optometry. Published by Elsevier España, S.L.U. All rights reserved.

Leveraging toxicogenomics data to build predictive biomarkers supporting AOP assessment

EPA Science Inventory

Chemicals induce liver cancer in rodents through well characterized adverse outcome pathways (AOPs) that include molecular initiating events (MIEs). In addition to genotoxicity, these include nongenotoxic mechanisms of cytotoxicity and receptor activation (aryl hydrocarbon recept...

Adverse outcome pathway (AOP) development II: Best practices

EPA Science Inventory

Organization of existing and emerging toxicological knowledge into adverse outcome pathway (AOP) descriptions can facilitate greater application of mechanistic data, including high throughput in vitro, high content omics and imaging, and biomarkers, in risk-based decision-making....

Autonomous Operations Planner: A Flexible Platform for Research in Flight-Deck Support for Airborne Self-Separation

NASA Technical Reports Server (NTRS)

Karr, David A.; Vivona, Robert A.; DePascale, Stephen M.; Wing, David J.

2012-01-01

The Autonomous Operations Planner (AOP), developed by NASA, is a flexible and powerful prototype of a flight-deck automation system to support self-separation of aircraft. The AOP incorporates a variety of algorithms to detect and resolve conflicts between the trajectories of its own aircraft and traffic aircraft while meeting route constraints such as required times of arrival and avoiding airspace hazards such as convective weather and restricted airspace. This integrated suite of algorithms provides flight crew support for strategic and tactical conflict resolutions and conflict-free trajectory planning while en route. The AOP has supported an extensive set of experiments covering various conditions and variations on the self-separation concept, yielding insight into the system s design and resolving various challenges encountered in the exploration of the concept. The design of the AOP will enable it to continue to evolve and support experimentation as the self-separation concept is refined.

Removal of polycyclic aromatic hydrocarbons in aqueous environment by chemical treatments: a review.

PubMed

Rubio-Clemente, Ainhoa; Torres-Palma, Ricardo A; Peñuela, Gustavo A

2014-04-15

Due to their carcinogenic, mutagenic and teratogenic potential, the removal of polycyclic aromatic hydrocarbons (PAHs) from aqueous environment using physical, biological and chemical processes has been studied by several researchers. This paper reviews the current state of knowledge concerning PAHs including their physico-chemical properties, input sources, occurrence, adverse effects and conventional and alternative chemical processes applied for their removal from water. The mechanisms and reactions involved in each treatment method are reported, and the effects of various variables on the PAH degradation rate as well as the extent of degradation are also discussed. Extensive literature analysis has shown that an effective way to perform the conversion and mineralization of this type of substances is the application of advanced oxidation processes (AOPs). Furthermore, combined processes, particularly AOPs coupled with biological treatments, seem to be one of the best solutions for the treatment of effluents containing PAHs. Copyright © 2013 Elsevier B.V. All rights reserved.

Design and in vivo evaluation of more efficient and selective deep brain stimulation electrodes

NASA Astrophysics Data System (ADS)

Howell, Bryan; Huynh, Brian; Grill, Warren M.

2015-08-01

Objective. Deep brain stimulation (DBS) is an effective treatment for movement disorders and a promising therapy for treating epilepsy and psychiatric disorders. Despite its clinical success, the efficiency and selectivity of DBS can be improved. Our objective was to design electrode geometries that increased the efficiency and selectivity of DBS. Approach. We coupled computational models of electrodes in brain tissue with cable models of axons of passage (AOPs), terminating axons (TAs), and local neurons (LNs); we used engineering optimization to design electrodes for stimulating these neural elements; and the model predictions were tested in vivo. Main results. Compared with the standard electrode used in the Medtronic Model 3387 and 3389 arrays, model-optimized electrodes consumed 45-84% less power. Similar gains in selectivity were evident with the optimized electrodes: 50% of parallel AOPs could be activated while reducing activation of perpendicular AOPs from 44 to 48% with the standard electrode to 0-14% with bipolar designs; 50% of perpendicular AOPs could be activated while reducing activation of parallel AOPs from 53 to 55% with the standard electrode to 1-5% with an array of cathodes; and, 50% of TAs could be activated while reducing activation of AOPs from 43 to 100% with the standard electrode to 2-15% with a distal anode. In vivo, both the geometry and polarity of the electrode had a profound impact on the efficiency and selectivity of stimulation. Significance. Model-based design is a powerful tool that can be used to improve the efficiency and selectivity of DBS electrodes.

Two Young MicroRNAs Originating from Target Duplication Mediate Nitrogen Starvation Adaptation via Regulation of Glucosinolate Synthesis in Arabidopsis thaliana1[W

PubMed Central

He, Hua; Liang, Gang; Li, Yang; Wang, Fang; Yu, Diqiu

2014-01-01

Nitrogen is an essential macronutrient required for plant growth and development. A number of genes respond to nitrogen starvation conditions. However, the functions of most of these nitrogen starvation-responsive genes are unclear. Our recent survey suggested that many microRNAs (miRNAs) are responsive to nitrogen starvation in Arabidopsis thaliana. Here, we identified a new miRNA (miR5090) from the complementary transcript of the MIR826 gene. Further investigation uncovered that both miRNA genes recently evolved from the inverse duplication of their common target gene, ALKENYL HYDROXALKYL PRODUCING2 (AOP2). Similar to miR826, miR5090 is induced by nitrogen starvation. By contrast, the AOP2 transcript level was negatively correlated with miR826 and miR5090 under nitrogen starvation. GUS-fused AOP2 expression suggested that AOP2 was posttranscriptionally suppressed by miR826 and miR5090. miRNA transgenic plants with significantly low AOP2 expression accumulated fewer Met-derived glucosinolates, phenocopying the aop2 mutants. Most glucosinolate synthesis-associated genes were repressed under nitrogen starvation conditions. Furthermore, miRNA transgenic plants with less glucosinolate displayed enhanced tolerance to nitrogen starvation, including high biomass, more lateral roots, increased chlorophyll, and decreased anthocyanin. Meanwhile, nitrogen starvation-responsive genes were up-regulated in transgenic plants, implying improved nitrogen uptake activity. Our study reveals a mechanism by which Arabidopsis thaliana regulates the synthesis of glucosinolates to adapt to environmental changes in nitrogen availability. PMID:24367020

Linking Adverse Outcome Pathways to Dynamic Energy Budgets: A Conceptual Model

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

Murphy, Cheryl; Nisbet, Roger; Antczak, Philipp

Ecological risk assessment quantifies the likelihood of undesirable impacts of stressors, primarily at high levels of biological organization. Data used to inform ecological risk assessments come primarily from tests on individual organisms or from suborganismal studies, indicating a disconnect between primary data and protection goals. We know how to relate individual responses to population dynamics using individual-based models, and there are emerging ideas on how to make connections to ecosystem services. However, there is no established methodology to connect effects seen at higher levels of biological organization with suborganismal dynamics, despite progress made in identifying Adverse Outcome Pathways (AOPs) thatmore » link molecular initiating events to ecologically relevant key events. This chapter is a product of a working group at the National Center for Mathematical and Biological Synthesis (NIMBioS) that assessed the feasibility of using dynamic energy budget (DEB) models of individual organisms as a “pivot” connecting suborganismal processes to higher level ecological processes. AOP models quantify explicit molecular, cellular or organ-level processes, but do not offer a route to linking sub-organismal damage to adverse effects on individual growth, reproduction, and survival, which can be propagated to the population level through individual-based models. DEB models describe these processes, but use abstract variables with undetermined connections to suborganismal biology. We propose linking DEB and quantitative AOP models by interpreting AOP key events as measures of damage-inducing processes in a DEB model. Here, we present a conceptual model for linking AOPs to DEB models and review existing modeling tools available for both AOP and DEB.« less

The application of advanced oxidation technologies to the treatment of effluents from the pulp and paper industry: a review.

PubMed

Hermosilla, Daphne; Merayo, Noemí; Gascó, Antonio; Blanco, Ángeles

2015-01-01

The paper industry is adopting zero liquid effluent technologies to reduce freshwater use and meet environmental regulations, which implies closure of water circuits and the progressive accumulation of pollutants that must be removed before water reuse and final wastewater discharge. The traditional water treatment technologies that are used in paper mills (such as dissolved air flotation or biological treatment) are not able to remove recalcitrant contaminants. Therefore, advanced water treatment technologies, such as advanced oxidation processes (AOPs), are being included in industrial wastewater treatment chains aiming to either improve water biodegradability or its final quality. A comprehensive review of the current state of the art regarding the use of AOPs for the treatment of the organic load of effluents from the paper industry is herein addressed considering mature and emerging treatments for a sustainable water use in this sector. Wastewater composition, which is highly dependent on the raw materials being used in the mills, the selected AOP itself, and its combination with other technologies, will determine the viability of the treatment. In general, all AOPs have been reported to achieve good organic removal efficiencies (COD removal >40%, and about an extra 20% if AOPs are combined with biological stages). Particularly, ozonation has been the most extensively reported and successfully implemented AOP at an industrial scale for effluent treatment or reuse within pulp and paper mills, although Fenton processes (photo-Fenton particularly) have actually addressed better oxidative results (COD removal ≈ 65-75%) at a lab scale, but still need further development at a large scale.

Adverse outcome pathway (AOP) development: Guiding principles and best practices

EPA Science Inventory

Adverse outcome pathways (AOPs) represent a conceptual framework that can support greater application of mechanistic data in regulatory decision-making. However, in order for the scientific community to collectively address the daunting challenge of describing relevant toxicologi...

Adverse outcome pathway (AOP) development I: Strategies and principles

EPA Science Inventory

An adverse outcome pathway (AOP) is a conceptual framework that organizes existing knowledge concerning biologically plausible, and empirically-supported, links between molecular-level perturbation of a biological system and an adverse outcome at a level of biological organizatio...

Computational Approaches for Identifying Adverse Outcome Pathways

EPA Science Inventory

Adverse Outcome Pathways (AOPs) provide a framework for organizing toxicity information to improve predictions of the potential adverse impact of environment stressors on humans or wildlife populations, but these benefits are currently limited by the small number of AOPs currentl...

Pulsed Ultraviolet Light Emitting Diodes for Advanced Oxidation of Tartrazine

DTIC Science & Technology

2015-03-26

a significantly lower amount of energy while lasting considerably longer than the conventional lamp . Recently, an experiment on AOP with a UV LED ...severe damage to these organs, resulting in death (OSHA, 2012). LEDs are promising alternatives for UV energy sources. Contrarily to mercury lamps ...Table 1 UV Lamp Properties Additionally, because LEDs interrupt the DNA of microorganisms without the introduction of added chemicals, there are

Adverse Outcome Pathway Network Analyses: Techniques and benchmarking the AOPwiki

EPA Science Inventory

Abstract: As the community of toxicological researchers, risk assessors, and risk managers adopt the adverse outcome pathway (AOP) paradigm for organizing toxicological knowledge, the number and diversity of adverse outcome pathways and AOP networks are continuing to grow. This ...

Pilot Preference, Compliance, and Performance With an Airborne Conflict Management Toolset

NASA Technical Reports Server (NTRS)

Doble, Nathan A.; Barhydt, Richard; Krishnamurthy, Karthik

2005-01-01

A human-in-the-loop experiment was conducted at the NASA Ames and Langley Research Centers, investigating the En Route Free Maneuvering component of a future air traffic management concept termed Distributed Air/Ground Traffic Management (DAG-TM). NASA Langley test subject pilots used the Autonomous Operations Planner (AOP) airborne toolset to detect and resolve traffic conflicts, interacting with subject pilots and air traffic controllers at NASA Ames. Experimental results are presented, focusing on conflict resolution maneuver choices, AOP resolution guidance acceptability, and performance metrics. Based on these results, suggestions are made to further improve the AOP interface and functionality.

How Adverse Outcome Pathways Can Aid the Development and Use of Computational Prediction Models for Regulatory Toxicology

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

Wittwehr, Clemens; Aladjov, Hristo; Ankley, Gerald

Efforts are underway to transform regulatory toxicology and chemical safety assessment from a largely empirical science based on direct observation of apical toxicity outcomes in whole organism toxicity tests to a predictive one in which outcomes and risk are inferred from accumulated mechanistic understanding. The adverse outcome pathway (AOP) framework has emerged as a systematic approach for organizing knowledge that supports such inference. We argue that this systematic organization of knowledge can inform and help direct the design and development of computational prediction models that can further enhance the utility of mechanistic and in silico data for chemical safety assessment.more » Examples of AOP-informed model development and its application to the assessment of chemicals for skin sensitization and multiple modes of endocrine disruption are provided. The role of problem formulation, not only as a critical phase of risk assessment, but also as guide for both AOP and complementary model development described. Finally, a proposal for actively engaging the modeling community in AOP-informed computational model development is made. The contents serve as a vision for how AOPs can be leveraged to facilitate development of computational prediction models needed to support the next generation of chemical safety assessment.« less

Defining a Computational Framework for the Assessment of ...

EPA Pesticide Factsheets

The Adverse Outcome Pathway (AOP) framework describes the effects of environmental stressors across multiple scales of biological organization and function. This includes an evaluation of the potential for each key event to occur across a broad range of species in order to determine the taxonomic applicability of each AOP. Computational tools are needed to facilitate this process. Recently, we developed a tool that uses sequence homology to evaluate the applicability of molecular initiating events across species (Lalone et al., Toxicol. Sci., 2016). To extend our ability to make computational predictions at higher levels of biological organization, we have created the AOPdb. This database links molecular targets identified associated with key events in the AOPwiki to publically available data (e.g. gene-protein, pathway, species orthology, ontology, chemical, disease) including ToxCast assay information. The AOPdb combines different data types in order to characterize the impacts of chemicals to human health and the environment and serves as a decision support tool for case study development in the area of taxonomic applicability. As a proof of concept, the AOPdb allows identification of relevant molecular targets, biological pathways, and chemical and disease associations across species for four AOPs from the AOP-Wiki (https://aopwiki.org): Estrogen receptor antagonism leading to reproductive dysfunction (Aop:30); Aromatase inhibition leading to reproductive d

Advancing the adverse outcome pathway framework and its ...

EPA Pesticide Factsheets

Regulatory agencies worldwide are confronted with the challenging task of assessing the risks of thousands of chemicals to protect both human health and the environment. Traditional toxicity testing largely relies on apical endpoints from whole animal studies, which, in addition to ethical concerns, is costly and time prohibitive. As a result, the utility of mechanism-based in silico, in vitro, and in vivo approaches to support chemical safety evaluations have increasingly been explored. An approach that has gained traction for capturing available knowledge describing the linkage between mechanistic data and apical toxicity endpoints, required for regulatory assessments, is the adverse outcome pathway (AOP) framework. A number of international workshops and expert meetings have been held over the past years focusing on the AOP framework and its applications to chemical risk assessment. Although, these interactions have illustrated the necessity of expert guidance in moving the science of AOPs and their applications forward, there is also the recognition that a broader survey of the scientific community could be useful in guiding future initiatives in the AOP arena. To that end, a Horizon Scanning exercise was conducted to solicit questions from the global scientific community concerning the challenges or limitations that must be addressed in order to realize the full potential of the AOP framework in research and regulatory decision making. Over a 4 month ques

Assessment of nitrification in groundwater filters for drinking water production by qPCR and activity measurement.

PubMed

de Vet, W W J M; Kleerebezem, R; van der Wielen, P W J J; Rietveld, L C; van Loosdrecht, M C M

2011-07-01

In groundwater treatment for drinking water production, the causes of nitrification problems and the effectiveness of process optimization in rapid sand filters are often not clear. To assess both issues, the performance of a full-scale groundwater filter with nitrification problems and another filter with complete nitrification and pretreatment by subsurface aeration was monitored over nine months. Quantitative real-time polymerase chain reaction (qPCR) targeting the amoA gene of bacteria and archaea and activity measurements of ammonia oxidation were used to regularly evaluate water and filter sand samples. Results demonstrated that subsurface aeration stimulated the growth of ammonia-oxidizing prokaryotes (AOP) in the aquifer. Cell balances, using qPCR counts of AOP for each filter, showed that the inoculated AOP numbers from the aquifer were marginal compared with AOP numbers detected in the filter. Excessive washout of AOP was not observed and did not cause the nitrification problems. Ammonia-oxidizing archaea grew in both filters, but only in low numbers compared to bacteria. The cell-specific nitrification rate in the sand and backwash water samples was high for the subsurface aerated filter, but systematically much lower for the filter with nitrification problems. From this, we conclude that incomplete nitrification was caused by nutrient limitation. Copyright © 2011 Elsevier Ltd. All rights reserved.

How adverse outcome pathways can aid the development and ...

EPA Pesticide Factsheets

Efforts are underway to transform regulatory toxicology and chemical safety assessment from a largely empirical science based on direct observation of apical toxicity outcomes in whole organism toxicity tests to a predictive one in which outcomes and risk are inferred from accumulated mechanistic understanding. The adverse outcome pathway (AOP) framework has emerged as a systematic approach for organizing knowledge that supports such inference. We argue that this systematic organization of knowledge can inform and help direct the design and development of computational prediction models that can further enhance the utility of mechanistic and in silico data for chemical safety assessment. Examples of AOP-informed model development and its application to the assessment of chemicals for skin sensitization and multiple modes of endocrine disruption are provided. The role of problem formulation, not only as a critical phase of risk assessment, but also as guide for both AOP and complementary model development described. Finally, a proposal for actively engaging the modeling community in AOP-informed computational model development is made. The contents serve as a vision for how AOPs can be leveraged to facilitate development of computational prediction models needed to support the next generation of chemical safety assessment. The present manuscript reports on expert opinion and case studies that came out of a European Commission, Joint Research Centre-sponsored work

Adverse Outcome Pathway (AOP) Network Development for ...

EPA Pesticide Factsheets

Adverse outcome pathways (AOPs) are descriptive biological sequences that start from a molecular initiating event (MIE) and end with an adverse health outcome. AOPs provide biological context for high throughput chemical testing and further prioritize environmental health risk research. According to the Organization for Economic Co-operation and Development guidelines, AOPs are pathways with one MIE anchored to an adverse outcome (AO) by key events (KEs) and key event relationships (KERs). However, this approach does not always capture the cumulative impacts of multiple MIEs on the AO. For example, hepatic lipid flux due to chemical-induced toxicity initiates from multiple ligand-activated receptors and signaling pathways that cascade across biology to converge upon a common fatty liver (FL, also known as steatosis) outcome. To capture this complexity, a top-down strategy was used to develop a FL AOP network (AOPnet). Literature was queried based on the terms steatosis, fatty liver, cirrhosis, and hepatocellular carcinoma. Search results were analyzed for physiological and pathophysiological organ level, cellular and molecular processes, as well as pathway intermediates, to identify potential KEs and MIEs that are key for hepatic lipid metabolism, maintenance, and dysregulation. The analysis identified four apical KE nodes (hepatic fatty acid uptake, de novo fatty acid and lipid synthesis, fatty acid oxidation, and lipid efflux) juxtaposed to the FL AO. The apic

The 1% and 1 cm perspective in deriving and validating AOP data products

NASA Astrophysics Data System (ADS)

Hooker, S. B.; Morrow, J. H.; Matsuoka, A.

2012-07-01

A next-generation in-water profiler designed to measure the apparent optical properties (AOPs) of seawater was developed and validated across a wide dynamic range of in-water properties. The new free-falling instrument, the Compact-Optical Profiling System (C-OPS), was based on a cluster of 19 state-of-the-art microradiometers spanning 320-780 nm and a new kite-shaped backplane design. The kite-shaped backplane includes tunable ballast, a hydrobaric buoyancy chamber, plus pitch and roll adjustments, to provide unprecedented stability and vertical resolution in near-surface waters. A unique data set was collected as part of the development activity and the first major field campaign that used the new instrument, the Malina expedition to the Beaufort Sea in the vicinity of the Mackenzie River outflow. The data were of sufficient resolution and quality to show that errors - more correctly, uncertainties - in the execution of data sampling protocols were measurable at the 1% and 1 cm level with C-OPS. A sensitivity analysis as a function of three water types established by the peak in the remote sensing reflectance spectrum, Rrs(λ), revealed which water types and which parts of the spectrum were the most sensitive to data acquisition uncertainties. Shallow riverine waters were the most sensitive water type, and the ultraviolet and near-infrared were the most sensitive parts of the spectrum. The sensitivity analysis also showed how the use of data products based on band ratios significantly mitigated the influence of data acquisition uncertainties. The unprecedented vertical resolution provided high quality data products at the spectral end members, which subsequently supported an alternative classification capability based on the spectral diffuse attenuation coefficient, Kd(λ). The Kd(320) and Kd(780) data showed how complex coastal systems can be distinguished two-dimensionally and how near-ice water masses are different from the open ocean. Finally, an algorithm for predicting the spectral absorption due to colored dissolved organic matter (CDOM), denoted aCDOM(λ), was developed using the Kd(320)/Kd(780) ratio, which was based on a linear relationship with respect to aCDOM(440), with over 99% of the variance explained. The robustness of the approach was established by expanding the use of the algorithm to include a geographically different coastal environment, the Southern Mid-Atlantic Bight, with no significant change in accuracy (approximately 98% of the variance explained). Alternative spectral end members reminiscent of next-generation (340 and 710 nm) as well as legacy satellite missions (412 and 670 nm) were also used to accurately derive aCDOM(440) from Kd(λ) ratios (94% or more of the variance explained).

An Integrative data mining approach to identifying Adverse Outcome Pathway (AOP) Signatures

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework is a tool for making biological connections and summarizing key information across different levels of biological organization to connect biological perturbations at the molecular level to adverse outcomes for an individual or populatio...

EMBRYONIC VASCULAR DISRUPTION ADVERSE OUTCOMES: LINKING HIGH THROUGHPUT SIGNALING SIGNATURES WITH FUNCTIONAL CONSEQUENCES

EPA Science Inventory

Embryonic vascular disruption is an important adverse outcome pathway (AOP) given the knowledge that chemical disruption of early cardiovascular system development leads to broad prenatal defects. High throughput screening (HTS) assays provide potential building blocks for AOP d...

AOP Knowledge Base/Wiki Tool Set

EPA Science Inventory

Utilizing ToxCast Data and Lifestage Physiologically-Based Pharmacokinetic (PBPK) models to Drive Adverse Outcome Pathways (AOPs)-Based Margin of Exposures (ABME) to Chemicals. Hisham A. El-Masri1, Nicole C. Klienstreur2, Linda Adams1, Tamara Tal1, Stephanie Padilla1, Kristin Is...

The Effect of AOP on Software Engineering, with Particular Attention to OIF and Event Quantification

NASA Technical Reports Server (NTRS)

Havelund, Klaus; Filman, Robert; Korsmeyer, David (Technical Monitor)

2003-01-01

We consider the impact of Aspect-Oriented Programming on Software Engineering, and, in particular, analyze two AOP systems, one of which does component wrapping and the other, quantification over events, for their software engineering effects.

Realizing the promise of AOPs: A stakeholder-driven roadmap to the future

EPA Science Inventory

The adverse outcome pathway (AOP) framework was developed to serve as a knowledge assembly and communication tool to facilitate translation of mechanistic (e.g., molecular, biochemical, histological) data into adverse apical outcomes meaningful to chemical risk assessment. Althou...

An “ADME Module” in the Adverse Outcome Pathway Knowledgebase

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework has generated intense interest for its utility to organize knowledge on the toxicity mechanisms, starting from a molecular initiating event (MIE) to an adverse outcome across various levels of biological organization. While the AOP fra...

Adverse Outcome Pathways: From Research to Regulation - Scientific Workshop Report

EPA Science Inventory

An adverse outcome pathway (AOP) organizes existing knowledge on chemical mode of action, starting with a molecular initiating event such as receptor binding, continuing through key events, and ending with an adverse outcome such as reproductive impairment. AOPs can help identify...

Use of Putative Adverse Outcome Pathways for Chemical Hazard Identification

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework provides a knowledge infrastructure for evaluating health effects of environmental chemicals. In this work we are examining proof-of-concept issues in the development and prospective application of AOPs in chemical safety. Key outputs i...

Quantitative Adverse Outcome Pathways and Their Application to Predictive Toxicology

EPA Science Inventory

A quantitative adverse outcome pathway (qAOP) consists of one or more biologically based, computational models describing key event relationships linking a molecular initiating event (MIE) to an adverse outcome. A qAOP provides quantitative, dose–response, and time-course p...

Establishing Adverse Outcome Pathways of Thyroid Hormone Disruption in an Amphibian Model

EPA Science Inventory

The Adverse Outcome Pathway (AOP) provides a framework for understanding the relevance of toxicology data in ecotoxicological hazard assessments. The AOP concept can be applied to many toxicological pathways including thyroid hormone disruption. Thyroid hormones play a critical r...

Development and application of the adverse outcome pathway framework for understanding and predicting chronic toxicity: II. A focus on growth impairment in fish.

PubMed

Groh, Ksenia J; Carvalho, Raquel N; Chipman, James K; Denslow, Nancy D; Halder, Marlies; Murphy, Cheryl A; Roelofs, Dick; Rolaki, Alexandra; Schirmer, Kristin; Watanabe, Karen H

2015-02-01

Adverse outcome pathways (AOPs) organize knowledge on the progression of toxicity through levels of biological organization. By determining the linkages between toxicity events at different levels, AOPs lay the foundation for mechanism-based alternative testing approaches to hazard assessment. Here, we focus on growth impairment in fish to illustrate the initial stages in the process of AOP development for chronic toxicity outcomes. Growth is an apical endpoint commonly assessed in chronic toxicity tests for which a replacement is desirable. Based on several criteria, we identified reduction in food intake to be a suitable key event for initiation of middle-out AOP development. To start exploring the upstream and downstream links of this key event, we developed three AOP case studies, for pyrethroids, selective serotonin reuptake inhibitors (SSRIs) and cadmium. Our analysis showed that the effect of pyrethroids and SSRIs on food intake is strongly linked to growth impairment, while cadmium causes a reduction in growth due to increased metabolic demands rather than changes in food intake. Locomotion impairment by pyrethroids is strongly linked to their effects on food intake and growth, while for SSRIs their direct influence on appetite may play a more important role. We further discuss which alternative tests could be used to inform on the predictive key events identified in the case studies. In conclusion, our work demonstrates how the AOP concept can be used in practice to assess critically the knowledge available for specific chronic toxicity cases and to identify existing knowledge gaps and potential alternative tests. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

Chemical exposure and infant leukaemia: development of an adverse outcome pathway (AOP) for aetiology and risk assessment research.

PubMed

Pelkonen, Olavi; Terron, Andrea; Hernandez, Antonio F; Menendez, Pablo; Bennekou, Susanne Hougaard

2017-08-01

Infant leukaemia (<1 year old) is a rare disease of an in utero origin at an early phase of foetal development. Rearrangements of the mixed-lineage leukaemia (MLL) gene producing abnormal fusion proteins are the most frequent genetic/molecular findings in infant B cell-acute lymphoblastic leukaemia. In small epidemiological studies, mother/foetus exposures to some chemicals including pesticides have been associated with infant leukaemia; however, the strength of evidence and power of these studies are weak at best. Experimental in vitro or in vivo models do not sufficiently recapitulate the human disease and regulatory toxicology studies are unlikely to capture this kind of hazard. Here, we develop an adverse outcome pathway (AOP) based substantially on an analogous disease-secondary acute leukaemia caused by the topoisomerase II (topo II) poison etoposide-and on cellular and animal models. The hallmark of the AOP is the formation of MLL gene rearrangements via topo II poisoning, leading to fusion genes and ultimately acute leukaemia by global (epi)genetic dysregulation. The AOP condenses molecular, pathological, regulatory and clinical knowledge in a pragmatic, transparent and weight of evidence-based framework. This facilitates the interpretation and integration of epidemiological studies in the process of risk assessment by defining the biologically plausible causative mechanism(s). The AOP identified important gaps in the knowledge relevant to aetiology and risk assessment, including the specific embryonic target cell during the short and spatially restricted period of susceptibility, and the role of (epi)genetic features modifying the initiation and progression of the disease. Furthermore, the suggested AOP informs on a potential Integrated Approach to Testing and Assessment to address the risk caused by environmental chemicals in the future.

Comparison of different advanced oxidation process to reduce toxicity and mineralisation of tannery wastewater.

PubMed

Schrank, S G; José, H J; Moreira, R F P M; Schröder, H Fr

2004-01-01

Many organic compounds contained in wastewater are resistant to conventional chemical and/or biological treatment. Because of this reason different degradation techniques are studied as an alternative to biological and classical physico-chemical processes. Advanced Oxidation Processes (AOPs) probably have developed to become the best options in the near future. AOP while making use of different reaction systems, are all characterised by the same chemical feature: production of OH radicals (*OH). The versatility of AOPs is also enhanced by the fact that they offer different possibilities for OH radical production, thus allowing them to conform to specific treatment requirements. The main problem with AOPs is their high cost. The application of solar technologies to these processes could help to diminish that problem by reducing the energy consumption required for generating UV radiation. In this work, different AOPs (O3, TiO2/UV, Fenton and H2O2/UV) were examined to treat tannery wastewater or as a pre-treatment step for improving the biodegradation of tannery wastewater, at different pH and dosage of the chemicals. Under certain circumstances retardation in biodegradation and/or an increase in toxicity may be observed within these treatment steps. Two different bioassays (Daphnia magna and Vibrio fischeri) have been used for testing the progress of toxicity during the treatment. In parallel other objectives were to analyse and identify organic compounds present in the untreated wastewater and arising degradation products in AOP treated wastewater samples. For this purpose substance specific techniques, e.g., gas chromatography-mass spectrometry (GC-MS) in positive electron impact (El(+)) mode and atmospheric pressure ionisation (API) in combination with flow injection analysis (FIA) or liquid chromatography-mass and tandem mass spectrometry (LC-MS or LC-MS-MS) were performed.

Adverse Outcome Pathways for Regulatory Applications: Examination of Four Case Studies With Different Degrees of Completeness and Scientific Confidence.

PubMed

Perkins, Edward J; Antczak, Philipp; Burgoon, Lyle; Falciani, Francesco; Garcia-Reyero, Natàlia; Gutsell, Steve; Hodges, Geoff; Kienzler, Aude; Knapen, Dries; McBride, Mary; Willett, Catherine

2015-11-01

Adverse outcome pathways (AOPs) offer a pathway-based toxicological framework to support hazard assessment and regulatory decision-making. However, little has been discussed about the scientific confidence needed, or how complete a pathway should be, before use in a specific regulatory application. Here we review four case studies to explore the degree of scientific confidence and extent of completeness (in terms of causal events) that is required for an AOP to be useful for a specific purpose in a regulatory application: (i) Membrane disruption (Narcosis) leading to respiratory failure (low confidence), (ii) Hepatocellular proliferation leading to cancer (partial pathway, moderate confidence), (iii) Covalent binding to proteins leading to skin sensitization (high confidence), and (iv) Aromatase inhibition leading to reproductive dysfunction in fish (high confidence). Partially complete AOPs with unknown molecular initiating events, such as 'Hepatocellular proliferation leading to cancer', were found to be valuable. We demonstrate that scientific confidence in these pathways can be increased though the use of unconventional information (eg, computational identification of potential initiators). AOPs at all levels of confidence can contribute to specific uses. A significant statistical or quantitative relationship between events and/or the adverse outcome relationships is a common characteristic of AOPs, both incomplete and complete, that have specific regulatory uses. For AOPs to be useful in a regulatory context they must be at least as useful as the tools that regulators currently possess, or the techniques currently employed by regulators. Published by Oxford University Press on behalf of the Society of Toxicology 2015. This work is written by US Government employees and is in the public domain in the US.

Fish early life stage: Developing AOPs to support targeted reduction and replacement

EPA Science Inventory

There is an interest in developing alternatives to the fish early-life stage (FELS) test (OECD test guideline 210), for predicting adverse chronic toxicity outcomes (e.g., impacts on growth and survival). Development and characterization of adverse outcome pathways (AOPs) related...

AOP-driven Predictive Models for Carcinogenicity: an exercise in interoperable data application.

EPA Science Inventory

Traditional methods and data sources for risk assessment are resource-intensive, retrospective, and not a feasible approach to address the tremendous regulatory burden of unclassified chemicals. As a result, the adverse outcome pathway (AOP) concept was developed to facilitate a ...

Proteomics for Adverse Outcome Pathway Discovery using Human Kidney Cells?

EPA Science Inventory

An Adverse Outcome Pathway (AOP) is a conceptual framework that applies molecular-based data for use in risk assessment and regulatory decision support. AOP development is based on effects data of chemicals on biological processes (i.e., molecular initiating events, key intermedi...

Constructing, Quantifying, and Validating an Adverse Outcome Pathway for Vascular Developmental Toxicity

EPA Science Inventory

Constructing, Quantifying, and Validating an Adverse Outcome Pathway for Vascular Developmental Toxicity The adverse outcome pathway (AOP) for embryonic vascular disruption1 leading to a range of adverse prenatal outcomes was recently entered into the AOP wiki and accepted as par...

Use of Adverse Outcome Pathways to Inform Decisions on Chemical Innovation, Regulation & Stewardship

EPA Science Inventory

An invited group of scientists participated in a SETAC Pellston WorkshopTM, “Advancing the Adverse Outcome Pathway (AOP) Concept – An International Horizon Scanning Approach,” in April 2017. The workshop addressed key challenges or limitations of AOP constructs...

Tipping the Balance: Hepatotoxicity and the Four Apical Key Events of Hepatic Steatosis

EPA Science Inventory

Adverse outcome pathways (AOPs) are descriptive biological sequences that start from a molecular initiating event (MIE) and end with an adverse health outcome. AOPs provide biological context for high throughput chemical testing and further prioritize environmental health risk r...

Prediction of time to delivery by transperineal ultrasound in second stage of labor.

PubMed

Yonetani, N; Yamamoto, R; Murata, M; Nakajima, E; Taguchi, T; Ishii, K; Mitsuda, N

2017-02-01

To investigate whether the transperineal sonographic (TPS) parameters angle of progression (AoP) and midline angle (MLA) can predict the time remaining in the second stage of labor. We evaluated prospectively women with a singleton pregnancy in cephalic presentation at term between October 2013 and September 2014. TPS volumes were obtained immediately after confirmation by digital vaginal examination of a fully dilated cervix. AoP and MLA were measured offline by analyzing the ultrasound volumes. Progression of labor was evaluated every hour during the second stage. The associations of AoP and MLA with the interval between TPS assessment and delivery were evaluated using multivariable Cox proportional hazards analyses in nulliparous and parous women separately. A total of 557 women were evaluated. An AoP ≥ 160° (adjusted hazard ratio (aHR), 2.52 (95% CI, 1.98-3.19)) and MLA ≤ 10° (aHR, 1.79 (95% CI, 1.35-2.34)) in nulliparous women and an AoP ≥ 150° (aHR, 1.86 (95% CI, 1.34-2.57)) and MLA ≤ 20° (aHR, 1.69 (95% CI, 1.21-2.34)) in parous women were significantly associated with the remaining time in labor. The positive/negative likelihood ratios of AoP, MLA, clinical station (fetal head descent as observed by digital examination) and clinical rotation (fetal head rotation as observed by digital examination) at these cut-off points were 3.6/0.6, 2.0/0.6, 1.6/0.6 and 1.6/0.8, respectively, in nulliparous women, and 2.4/0.6, 1.3/0.7, 7.6/0.5 and 5.2/0.7, respectively, in parous women. TPS assessment of AoP and MLA in the second stage of labor was useful for predicting the time remaining in labor and had higher predictive value than did digital vaginal examination in nulliparous women. Copyright © 2016 ISUOG. Published by John Wiley & Sons Ltd. Copyright © 2016 ISUOG. Published by John Wiley & Sons Ltd.

Use of a Pro-Fibrogenic Mechanisms-Based Predictive Toxicological Approach for Tiered Testing and Decision Analysis of Carbonaceous Nanomaterials

PubMed Central

Wang, Xiang; Duch, Matthew C.; Mansukhani, Nikhita; Ji, Zhaoxia; Liao, Yu-Pei; Wang, Meiying; Zhang, Haiyuan; Sun, Bingbing; Chang, Chong Hyun; Li, Ruibin; Lin, Sijie; Meng, Huan; Xia, Tian; Hersam, Mark C.; Nel, André E.

2015-01-01

Engineered carbonaceous nanomaterials (ECNs), including single-wall carbon nanotubes (SWCNTs), multi-wall carbon nanotubes (MWCNTs), graphene and graphene oxide (GO), are potentially hazardous to the lung. With incremental experience in the use of predictive toxicological approaches, seeking to relate ECN physicochemical properties to adverse outcome pathways (AOPs), it is logical to explore the existence of a common AOP that allows comparative analysis of broad ECN categories. We established an ECN library comprised of three different types of SWCNTs, graphene and graphene oxide (two sizes) for comparative analysis according to a cell-based AOP that also plays a role in the pathogenesis of pulmonary fibrosis. SWCNTs synthesized by Hipco, arc discharge and Co-Mo catalyst (CoMoCAT®) methods were obtained in their as-prepared (AP) state, following which they were further purified (PD) or coated with Pluronic (PF108) or bovine serum albumin (BSA) to improve dispersal and colloidal stability. Graphene oxide (GO) was prepared as two sizes, GO-small (S) and GO-large (L), while the graphene samples were coated with BSA and PF108 to enable dispersion in aqueous solution. In vitro screening showed that AP- and PD-SWCNTs, irrespective of the method of synthesis, as well as graphene (BSA) and GO (S and L) could trigger interleukin 1β (IL-1β) and transforming growth factor (TGF-β1) production in myeloid (THP-1) and epithelial (BEAS-2B) cell lines, respectively. Oropharyngeal aspiration in mice confirmed that AP-Hipco tubes, graphene (BSA), GO-S and GO-L could induce IL-1β and TGF-β1 production in the lung in parallel with lung fibrosis. Notably, GO-L was the most pro-fibrogenic material based on rapid kinetics of pulmonary injury. In contrast, PF108-dispersed SWCNTs and -graphene failed to exert fibrogenic effects. Collectively, these data indicate that the dispersal state and surface reactivity of ECNs play key roles in triggering a pro-fibrogenic AOP, which could prove helpful for hazard ranking and a proposed tiered testing approach for large ECN categories. PMID:25646681

Defining Adverse Outcome Pathways for Effects of the Fungicide Propiconazole of Fish Reproduction

EPA Science Inventory

Adverse outcome pathways (AOPs) are used to describe the linkage of chemical interactions in terms of molecular initiating events to whole organism responses suitable for risk assessment. This study was conducted to develop AOPs for the model fungicide propiconazole relative to r...

Identifying Key Events in AOPs for Embryonic Disruption using Computational Toxicology (European Teratology Society - AOP symp.)

EPA Science Inventory

Addressing safety aspects of drugs and environmental chemicals relies extensively on animal testing; however, the quantity of chemicals needing assessment and challenges of species extrapolation require alternative approaches to traditional animal studies. Newer in vitro and in s...

The potential of AOP networks for reproductive and developmental toxicity assay development

EPA Science Inventory

Historically, the prediction of reproductive and early developmental toxicity has largely relied on the use of animals. The Adverse Outcome Pathway (AOP) framework forms a basis for the development of new non-animal test methods. It also provides biological context for mechanisti...

AOP Wiki: A new tool for developing and documenting adverse outcome pathways

EPA Science Inventory

An initial version of an IT system to support OECD AOP activities recently was completed through collaborative efforts and contributions of the European Commission's Joint Research Centre (EU JRC), the Office of Research and Development (ORD) of the United States Environmental Pr...

AOP Wiki Version 2.0

EPA Science Inventory

Version 2.0 of the AOP-Wiki was released on December 4, 2016. This was a major upgrade and should provide a better user experience. It fixes a number of bugs with the previous version, provides a more streamlined user interface, and sets the stage for providing more programmatic...

Removal of Emerging Contaminants and Estrogenic Activity from Wastewater Treatment Plant Effluent with UV/Chlorine and UV/H2O2 Advanced Oxidation Treatment at Pilot Scale

PubMed Central

Kuch, Bertram; Lange, Claudia; Richter, Philipp; Kugele, Amélie; Minke, Ralf

2018-01-01

Effluent of a municipal wastewater treatment plant (WWTP) was treated on-site with the UV/chlorine (UV/HOCl) advanced oxidation process (AOP) using a pilot plant equipped with a medium pressure UV lamp with an adjustable performance of up to 1 kW. Results obtained from parallel experiments with the same pilot plant, where the state of the art UV/H2O2 AOP was applied, were compared regarding the removal of emerging contaminants (EC) and the formation of adsorbable organohalogens (AOX). Furthermore, the total estrogenic activity was measured in samples treated with the UV/chlorine AOP. At an energy consumption of 0.4 kWh/m3 (0.4 kW, 1 m3/h) and in a range of oxidant concentrations from 1 to 6 mg/L, the UV/chlorine AOP had a significantly higher EC removal yield than the UV/H2O2 AOP. With free available chlorine concentrations (FAC) in the UV chamber influent of at least 5 mg/L (11 mg/L of dosed Cl2), the total estrogenic activity could be reduced by at least 97%. To achieve a certain concentration of FAC in the UV chamber influent, double to triple the amount of dosed Cl2 was needed, resulting in AOX concentrations of up to 520 µg/L. PMID:29735959

UV-H2O2 based AOP and its integration with biological activated carbon treatment for DBP reduction in drinking water.

PubMed

Toor, Ramn; Mohseni, Madjid

2007-02-01

The presence of disinfection byproducts (DBPs) such as trihalomethanes (THMs) and haloacetic acids (HAAs) in drinking water is of great concern due to their adverse effects on human health. Emerging regulation limiting the concentration of DBPs in drinking water has increased demands for technologies and processes which reduce the formation of DBPs in drinking water. In this study, UV-H2O2 based advance oxidation process (AOP) was used to treat raw surface water. Experiments were conducted using low pressure mercury vapor UV lamps in collimated beam and flow-through annular photoreactors. The effect of UV fluence (0-3500 mJ cm(-2)) and hydrogen peroxide concentration (0-23 mg l(-1)) in reducing the concentration of THMs and HAAs was examined. The UV-H2O2 AOP was then coupled with a downstream biological activated carbon (BAC) treatment to assess the synergetic benefits of combining the two treatments. It was observed that UV-H2O2 AOP was only effective at reducing DBPs at UV fluences of more than 1000 mJ cm(-2) and initial H2O2 concentrations of about or greater than 23 mg l(-1). However, the combined AOP-BAC treatment showed significant reductions of 43%, 52%, and 59% relative to untreated raw water for DBPs, TOC, and UV254, respectively.

Influence of Ammonium Ions, Organic Load and Flow Rate on the UV/Chlorine AOP Applied to Effluent of a Wastewater Treatment Plant at Pilot Scale.

PubMed

Rott, Eduard; Kuch, Bertram; Lange, Claudia; Richter, Philipp; Minke, Ralf

2018-06-16

This work investigates the influence of ammonium ions and the organic load (chemical oxygen demand (COD)) on the UV/chlorine AOP regarding the maintenance of free available chlorine (FAC) and elimination of 16 emerging contaminants (ECs) from wastewater treatment plant effluent (WWTE) at pilot scale (UV chamber at 0.4 kW). COD inhibited the FAC maintenance in the UV chamber influent at a ratio of 0.16 mg FAC per mg COD ( k HOCl⁻COD = 182 M −1 s −1 ). An increase in ammonium ion concentration led to a stoichiometric decrease of the FAC concentration in the UV chamber influent. Especially in cold seasons due to insufficient nitrification, the ammonium ion concentration in WWTE can become so high that it becomes impossible to achieve sufficiently high FAC concentrations in the UV chamber influent. For all ECs, the elimination effect by the UV/combined Cl₂ AOP (UV/CC) was not significantly higher than that by sole UV treatment. Accordingly, the UV/chlorine AOP is very sensitive and loses its effectiveness drastically as soon as there is no FAC but only CC in the UV chamber influent. Therefore, within the electrical energy consumption range tested (0.13⁻1 kWh/m³), a stable EC elimination performance of the UV/chlorine AOP cannot be maintained throughout the year.

Removal of Emerging Contaminants and Estrogenic Activity from Wastewater Treatment Plant Effluent with UV/Chlorine and UV/H₂O₂ Advanced Oxidation Treatment at Pilot Scale.

PubMed

Rott, Eduard; Kuch, Bertram; Lange, Claudia; Richter, Philipp; Kugele, Amélie; Minke, Ralf

2018-05-07

Effluent of a municipal wastewater treatment plant (WWTP) was treated on-site with the UV/chlorine (UV/HOCl) advanced oxidation process (AOP) using a pilot plant equipped with a medium pressure UV lamp with an adjustable performance of up to 1 kW. Results obtained from parallel experiments with the same pilot plant, where the state of the art UV/H₂O₂ AOP was applied, were compared regarding the removal of emerging contaminants (EC) and the formation of adsorbable organohalogens (AOX). Furthermore, the total estrogenic activity was measured in samples treated with the UV/chlorine AOP. At an energy consumption of 0.4 kWh/m³ (0.4 kW, 1 m³/h) and in a range of oxidant concentrations from 1 to 6 mg/L, the UV/chlorine AOP had a significantly higher EC removal yield than the UV/H₂O₂ AOP. With free available chlorine concentrations (FAC) in the UV chamber influent of at least 5 mg/L (11 mg/L of dosed Cl₂), the total estrogenic activity could be reduced by at least 97%. To achieve a certain concentration of FAC in the UV chamber influent, double to triple the amount of dosed Cl₂ was needed, resulting in AOX concentrations of up to 520 µg/L.

Iohexol degradation in wastewater and urine by UV-based Advanced Oxidation Processes (AOPs): Process modeling and by-products identification.

PubMed

Giannakis, Stefanos; Jovic, Milica; Gasilova, Natalia; Pastor Gelabert, Miquel; Schindelholz, Simon; Furbringer, Jean-Marie; Girault, Hubert; Pulgarin, César

2017-06-15

In this work, an Iodinated Contrast Medium (ICM), Iohexol, was subjected to treatment by 3 Advanced Oxidation Processes (AOPs) (UV, UV/H 2 O 2 , UV/H 2 O 2 /Fe 2+ ). Water, wastewater and urine were spiked with Iohexol, in order to investigate the treatment efficiency of AOPs. A tri-level approach has been deployed to assess the UV-based AOPs efficacy. The treatment was heavily influenced by the UV transmittance and the organics content of the matrix, as dilution and acidification improved the degradation but iron/H 2 O 2 increase only moderately. Furthermore, optimization of the treatment conditions, as well as modeling of the degradation was performed, by step-wise constructed quadratic or product models, and determination of the optimal operational regions was achieved through desirability functions. Finally, global chemical parameters (COD, TOC and UV-Vis absorbance) were followed in parallel with specific analyses to elucidate the degradation process of Iohexol by UV-based AOPs. Through HPLC/MS analysis the degradation pathway and the effects the operational parameters were monitored, thus attributing the pathways the respective modifications. The addition of iron in the UV/H 2 O 2 process inflicted additional pathways beneficial for both Iohexol and organics removal from the matrix. Copyright © 2016 Elsevier Ltd. All rights reserved.

OCoc- from Ocean Colour to Organic Carbon

NASA Astrophysics Data System (ADS)

Heim, B.; Overduin, P. P.; Schirrmeister, L.; Doerffer, R.

2009-04-01

Enhanced permafrost warming and increased arctic river discharges have heightened concern about the input of terrigenous matter into Arctic coastal waters. Especially, large parts of the Central and Eastern Siberian coastline are characterized by highly erosive sedimentary ice-rich material. The ‘OCoc-from Ocean Colour to Organic Carbon' project (IPY-project 1176), funded by the German Research Foundation (DFG), is an Ocean Colour study joined with the Arctic Circum-polar Coastal Observatory Network Acco-Net (ACCO-Net: IPY-project 90) originating from the Arctic Coastal Dynamics ACD project . OCoc uses Ocean Colour satellite data for synoptic monitoring of the input of organic matter - from both fluvial and coastal sources - into the Arctic coastal waters. Initial results from the German-Russian Expedition Lena08 along the southeastern Laptev Sea Coast (Arctic Siberia, Russia) in August 2008 are presented. Ocean Colour MERIS Reduced Resolution (RR)-LIB data of the Laptev Sea Coast from August 2008 have been processed towards L2 parameters using Beam-Visat4.2© and the MERIS case2 regional processor for coastal application (C2R). C2R uses neural network procedures for the retrieval of water leaving reflectances and neural network procedures to derive the inherent optical properties (IOPs) from the water leaving reflectances. C2R output parameters are IOPs (absorption and backscattering coefficients), apparent optical properties (AOPs) (water leaving radiance reflectance, attenuation coefficient ‘k'), optical parameters such as the first attenuation depth (‘Z90') and calculated concentrations of chlorophyll, total suspended matter, and yellow substance absorption. Initial comparisons with Lena08-Expedition data (Secchi depths, cDOM) and water transparency data from former arctic cruises show that the MERIS-C2R optical parameters 'total absorption' and the first attenuation depth, 'Z90', seem adequately to represent true conditions. High attenuation values are the tracers for the organic-rich terrigenous input. The synoptic information of MERIS Ocean Colour products will provide valuable spatial and dynamical information on the Organic Carbon and sediment fluxes from the Siberian permafrost coast.

Discovering and annotating fish early life-stage (FELS) adverse outcome pathways: Putting the research strategy into practice

EPA Science Inventory

In May 2012, a HESI-sponsored expert workshop yielded a proposed research strategy for systematically discovering, characterizing, and annotating fish early life-stage (FELS) adverse outcome pathways (AOPs) as well as prioritizing AOP development in light of current restrictions ...

Quantitative AOP-based predictions for two aromatase inhibitors evaluating the influence of bioaccumulation on prediction accuracy

EPA Science Inventory

The adverse outcome pathway (AOP) framework can be used to support the use of mechanistic toxicology data as a basis for risk assessment. For certain risk contexts this includes defining, quantitative linkages between the molecular initiating event (MIE) and subsequent key events...

Can Erythrocytes Transmit Oxidative Stress Beyond the Lungs? An Adverse Outcome Pathway for the Cardiovascular Effects of Air Pollution.

EPA Science Inventory

Adverse outcome pathways (AOPs) are systems biology roadmaps with potential utility in xenobiotic exposure risk assessment. AOPs connect molecular initiating events (MIEs) to population-level adverse outcomes (AOs) via cellular, organ, and organism key events (KE) and KE relatio...

Practical approaches to adverse outcome pathway development and weight‐of‐evidence evaluation as illustrated by ecotoxicological case studies

EPA Science Inventory

Adverse Outcome Pathways (AOPs) describe toxicant effects as a sequential chain of causally linked events beginning with a molecular perturbation and culminating in an adverse outcome at an individual or population level. Strategies for developing AOPs are still evolving and dep...

DESTRUCTION OF PAHS AND PCBS IN WATER USING SULFATE RADICAL-BASED CATALYTIC ADVANCED OXIDATION PROCESSES

EPA Science Inventory

A new class of advanced oxidation processes (AOPs) based on sulfate radicals is being tested for the degradation of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in aqueous solution. These AOPs are based on the generation of sulfate radicals through...

Modeling a molecular initiating event to population effects: A case study of aromatase inhibition in fathead minnows

EPA Science Inventory

An adverse outcome pathway (AOP) conceptually links a molecular initiating event with measureable key events at higher levels of biological organization that ultimately result in an adverse outcome. Development of an AOP requires experimental data and scientific expertise to ide...

Integration of chemical-specific exposure and pharmacokinetic information with the chemical-agnostic AOP framework to support high throughput risk assessment

EPA Science Inventory

Application of the Adverse Outcome Pathway (AOP) framework and high throughput toxicity testing in chemical-specific risk assessment requires reconciliation of chemical concentrations sufficient to trigger a molecular initiating event measured in vitro and at the relevant target ...

Abstract of operations - boats automated reporting system 1.0 : installation and maintenance guide version 1.0 January 1995

DOT National Transportation Integrated Search

1995-01-01

The AOPS Boats system was developed to assist you in compiling your quarterly AOPS data and sending it to Headquarters. An additional component was designed solely to field use to help the station track certification dates by training activities on l...

A Workflow to Investigate Exposure and Pharmacokinetic Influences on High-Throughput in Vitro Chemical Screening Based on Adverse Outcome Pathways

EPA Science Inventory

Background: Adverse outcome pathways (AOPs) link adverse effects in individuals or populations to a molecular initiating event (MIE) that can be quantified using in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires incorporation of knowled...

Use of 2D chemical structure and bioactivity profiles to generate chemical categories within an Adverse Outcome Pathway network

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework has emerged to capitalise on the vast quantity of mechanistic data generated by alternative techniques, as well as advances in systems biology, cheminformatics, and bioinformatics. AOPs provide a scaffold onto which mechanistic data can...

Quantitative AOP linking aromatase inhibition to impaired reproduction: A case study in predictive ecotoxicology

EPA Science Inventory

The adverse outcome pathway (AOP) framework is intended to help support greater use of mechanistic toxicology data as a basis for risk assessment and/or regulatory decision-making. While there have been clear advances in the ability to rapidly generate mechanistically-oriented da...

THE ADVERSE OUTCOME PATHWAY (AOP) FRAMEWORK: A FRAMEWORK FOR ORGANIZING BIOLOGICAL KNOWLEDGE LEADING TO HEALTH RISKS.

EPA Science Inventory

An Adverse Outcome Pathway (AOP) represents the organization of current and newly acquired knowledge of biological pathways. These pathways contain a series of nodes (Key Events, KEs) that when sufficiently altered influence the next node on the pathway, beginning from an Molecul...

Tiered Approaches to Incorporate the Adverse Outcome Pathway Framework into Chemical-Specific Risk-Based Decision Making

EPA Science Inventory

The concept of Adverse Outcome Pathways (AOPs) arose as a means of addressing the challenges associated with establishing relationships between high-throughout (HT) in vitro dose response data and in vivo biological outcomes. However, AOP development has also been met with challe...

Effects of chlorpyrifos and TCP on human kidney cells using toxicity testing and proteomics

EPA Science Inventory

An Adverse Outcome Pathway (AOP) is a conceptual framework to apply molecular pathway-based data for use in risk assessment and regulatory decision support. The development of AOPs requires data on the effects of chemicals on biological processes (i.e., molecular initiating event...

PUTATIVE ADVERSE OUTCOME PATHWAY FOR INHIBITON OF BRAIN AROMATASE IN FISH LEADING TO REPRODUCTIVE IMPAIRMENT

EPA Science Inventory

The adverse outcome pathway (AOP) provides a framework for organizing knowledge to define links between a molecular initiating event (MIE) and an adverse outcome (AO) occurring at a higher level of biological organization, such as the individual or population. The AOP framework p...

Gas Phase Probe Molecules for Assessing In vitro Metabolism to Infer an In vivo Response

EPA Science Inventory

Efficient and accurate in vitro high-throughput screening (HTS) methods use cellular and molecular based adverse outcome pathways (AOPs) as central elements for exposure assessment and chemical prioritization. However, not all AOPs are based on human or animal systems biology, bu...

Development of computationally predicted Adverse Outcome Pathway (AOP) networks through data mining and integration of publicly available in vivo, in vitro, phenotype, and biological pathway data

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework is increasingly being adopted as a tool for organizing and summarizing the mechanistic information connecting molecular perturbations by environmental stressors with adverse outcomes relevant for ecological and human health outcomes. Ho...

Differentiating high priority pathway-based toxicity from non-specific effects in high throughput toxicity data: A foundation for prioritizing AOP development.

EPA Science Inventory

The ToxCast chemical screening approach enables the rapid assessment of large numbers of chemicals for biological effects, primarily at the molecular level. Adverse outcome pathways (AOPs) offer a means to link biomolecular effects with potential adverse outcomes at the level of...

Evaluating a Skin Sensitization Model and Examining Common Assumptions of Skin Sensitizers (ASCCT meeting)

EPA Science Inventory

Skin sensitization is an adverse outcome that has been well studied over many decades. It was summarized using the adverse outcome pathway (AOP) framework as part of the OECD work programme (OECD, 2012). Currently there is a strong focus on how AOPs can be applied for different r...

Developing confidence in adverse outcome pathway-based toxicity predictions effects of the fungicide imazalil on fathead minnow reproduction

EPA Science Inventory

An adverse outcome pathway (AOP) description linking inhibition of aromatase (cytochrome P450 [cyp] 19) to reproductive dysfunction was reviewed for scientific and technical quality and endorsed by the OECD (https://aopwiki.org/wiki/index.php/Aop:25). An intended application of t...

Developing confidence in adverse outcome pathway-based toxicity predictions effects of the fungicide imazalil on fathead minnow reproduction (Poster)

EPA Science Inventory

An adverse outcome pathway (AOP) description linking inhibition of aromatase (cytochrome P450 [cyp] 19) to reproductive dysfunction was reviewed for scientific and technical quality and endorsed by the OECD. An intended application of the AOP framework is to support the use of me...

A comparison of the environmental impact of different AOPs: risk indexes.

PubMed

Giménez, Jaime; Bayarri, Bernardí; González, Óscar; Malato, Sixto; Peral, José; Esplugas, Santiago

2014-12-31

Today, environmental impact associated with pollution treatment is a matter of great concern. A method is proposed for evaluating environmental risk associated with Advanced Oxidation Processes (AOPs) applied to wastewater treatment. The method is based on the type of pollution (wastewater, solids, air or soil) and on materials and energy consumption. An Environmental Risk Index (E), constructed from numerical criteria provided, is presented for environmental comparison of processes and/or operations. The Operation Environmental Risk Index (EOi) for each of the unit operations involved in the process and the Aspects Environmental Risk Index (EAj) for process conditions were also estimated. Relative indexes were calculated to evaluate the risk of each operation (E/NOP) or aspect (E/NAS) involved in the process, and the percentage of the maximum achievable for each operation and aspect was found. A practical application of the method is presented for two AOPs: photo-Fenton and heterogeneous photocatalysis with suspended TiO2 in Solarbox. The results report the environmental risks associated with each process, so that AOPs tested and the operations involved with them can be compared.

Prescription stimulant use is associated with earlier onset of psychosis.

PubMed

Moran, Lauren V; Masters, Grace A; Pingali, Samira; Cohen, Bruce M; Liebson, Elizabeth; Rajarethinam, R P; Ongur, Dost

2015-12-01

A childhood history of attention deficit hyperactivity disorder (ADHD) is common in psychotic disorders, yet prescription stimulants may interact adversely with the physiology of these disorders. Specifically, exposure to stimulants leads to long-term increases in dopamine release. We therefore hypothesized that individuals with psychotic disorders previously exposed to prescription stimulants will have an earlier onset of psychosis. Age of onset of psychosis (AOP) was compared in individuals with and without prior exposure to prescription stimulants while controlling for potential confounding factors. In a sample of 205 patients recruited from an inpatient psychiatric unit, 40% (n = 82) reported use of stimulants prior to the onset of psychosis. Most participants were prescribed stimulants during childhood or adolescence for a diagnosis of ADHD. AOP was significantly earlier in those exposed to stimulants (20.5 vs. 24.6 years stimulants vs. no stimulants, p < 0.001). After controlling for gender, IQ, educational attainment, lifetime history of a cannabis use disorder or other drugs of abuse, and family history of a first-degree relative with psychosis, the association between stimulant exposure and earlier AOP remained significant. There was a significant gender × stimulant interaction with a greater reduction in AOP for females, whereas the smaller effect of stimulant use on AOP in males did not reach statistical significance. In conclusion, individuals with psychotic disorders exposed to prescription stimulants had an earlier onset of psychosis, and this relationship did not appear to be mediated by IQ or cannabis. Copyright © 2015 Elsevier Ltd. All rights reserved.

Developing confidence in adverse outcome pathway-based ...

EPA Pesticide Factsheets

An adverse outcome pathway (AOP) description linking inhibition of aromatase (cytochrome P450 [cyp] 19) to reproductive dysfunction was reviewed for scientific and technical quality and endorsed by the OECD. An intended application of the AOP framework is to support the use of mechanistic or pathway-based data to infer or predict chemical hazards and apical adverse outcomes. As part of this work, ToxCast high throughput screening data were used to identify a chemicals’ ability to inhibit aromatase activity in vitro. Twenty-four hour in vivo exposures, focused on effects on production and circulating concentrations of 17β-estradiol (E2), key events in the AOP, were conducted to verify in vivo activity. Based on these results, imazalil was selected as a case study chemical to test an AOP-based hazard prediction. A computational model of the fish hypothalamic-pituitary-gonadal-liver axis and a statistically-based model of oocyte growth dynamics were used to predict impacts of different concentrations of imazalil on multiple key events along the AOP, assuming continuous exposure for 21 d. Results of the model simulations were used to select test concentrations and design a fathead minnow reproduction study in which fish were exposed to 20, 60, or 200 µg imazalil/L for durations of 2.5, 10, or 21d. Within 60 h of exposure, female fathead minnows showed significant reductions in ex vivo production of E2, circulating E2 concentrations, and significant increases in

Transformations of dissolved organic matter induced by UV photolysis, Hydroxyl radicals, chlorine radicals, and sulfate radicals in aqueous-phase UV-Based advanced oxidation processes.

PubMed

Varanasi, Lathika; Coscarelli, Erica; Khaksari, Maryam; Mazzoleni, Lynn R; Minakata, Daisuke

2018-05-15

Considering the increasing identification of trace organic contaminants in natural aquatic environments, the removal of trace organic contaminants from water or wastewater discharge is an urgent task. Ultraviolet (UV) and UV-based advanced oxidation processes (AOPs), such as UV/hydrogen peroxide (UV/H 2 O 2 ), UV/free chlorine and UV/persulfate, are attractive and promising approaches for the removal of these contaminants due to the high reactivity of active radical species produced in these UV-AOPs with a wide variety of organic contaminants. However, the removal efficiency of trace contaminants is greatly affected by the presence of background dissolved organic matter (DOM). In this study, we use ultrahigh resolution mass spectrometry to evaluate the transformation of a standard Suwanee River fulvic acid DOM isolate in UV photolysis and UV-AOPs. The use of probe compounds allows for the determination of the steady-state concentrations of active radical species in each UV-AOP. The changes in the H/C and O/C elemental ratios, double bond equivalents, and the low-molecular-weight transformation product concentrations of organic acids reveal that different DOM transformation patterns are induced by each UV-AOP. By comparison with the known reactivities of each radical species with specific organic compounds, we mechanistically and systematically elucidate the molecular-level DOM transformation pathways induced by hydroxyl, chlorine, and sulfate radicals in UV-AOPs. We find that there is a distinct transformation in the aliphatic components of DOM due to HO• in UV/H 2 O 2 and UV/free chlorine. Cl• induced transformation of olefinic species is also observed in the UV/free chlorine system. Transformation of aromatic and olefinic moieties by SO 4 •- are the predominant pathways in the UV/persulfate system. Copyright © 2018 Elsevier Ltd. All rights reserved.

NEON Airborne Remote Sensing of Terrestrial Ecosystems

NASA Astrophysics Data System (ADS)

Kampe, T. U.; Leisso, N.; Krause, K.; Karpowicz, B. M.

2012-12-01

The National Ecological Observatory Network (NEON) is the continental-scale research platform that will collect information on ecosystems across the United States to advance our understanding and ability to forecast environmental change at the continental scale. One of NEON's observing systems, the Airborne Observation Platform (AOP), will fly an instrument suite consisting of a high-fidelity visible-to-shortwave infrared imaging spectrometer, a full waveform small footprint LiDAR, and a high-resolution digital camera on a low-altitude aircraft platform. NEON AOP is focused on acquiring data on several terrestrial Essential Climate Variables including bioclimate, biodiversity, biogeochemistry, and land use products. These variables are collected throughout a network of 60 sites across the Continental United States, Alaska, Hawaii and Puerto Rico via ground-based and airborne measurements. Airborne remote sensing plays a critical role by providing measurements at the scale of individual shrubs and larger plants over hundreds of square kilometers. The NEON AOP plays the role of bridging the spatial scales from that of individual organisms and stands to the scale of satellite-based remote sensing. NEON is building 3 airborne systems to facilitate the routine coverage of NEON sites and provide the capacity to respond to investigator requests for specific projects. The first NEON imaging spectrometer, a next-generation VSWIR instrument, was recently delivered to NEON by JPL. This instrument has been integrated with a small-footprint waveform LiDAR on the first NEON airborne platform (AOP-1). A series of AOP-1 test flights were conducted during the first year of NEON's construction phase. The goal of these flights was to test out instrument functionality and performance, exercise remote sensing collection protocols, and provide provisional data for algorithm and data product validation. These test flights focused the following questions: What is the optimal remote sensing data collection protocol to meet NEON science requirements? How do aircraft altitude, spatial sampling, spatial resolution, and LiDAR instrument configuration affect data retrievals? What are appropriate algorithms to derive ECVs from AOP data? What methodology should be followed to validate AOP remote sensing products and how should ground truth data be collected? Early test flights were focused on radiometric and geometric calibration as well as processing from raw data to Level-1 products. Subsequent flights were conducted focusing on collecting vegetation chemistry and structure measurements. These test flights that were conducted during 2012 have proved to be extremely valuable for verifying instrument functionality and performance, exercising remote sensing collection protocols, and providing data for algorithm and science product validation. Results from these early flights are presented, including the radiometric and geometric calibration of the AOP instruments. These 2012 flight campaigns are just the first of a series of test flights that will take place over the next several years as part of the NEON observatory construction. Lessons learned from these early campaigns will inform both airborne and ground data collection methodologies for future campaigns as well as guide the AOP sampling strategy before NEON enters full science operations.

Ultrasound-assisted advanced oxidation processes for water decontamination.

PubMed

Ince, Nilsun H

2018-01-01

The study reflects a part of my experience in sonochemistry and ultrasound-assisted advanced oxidation processes (AOPs) acquired during the last fifteen years with my research team. The data discussed were selected from studies with azo dyes, endocrine disrupting compounds and analgesic/anti-inflammatory pharmaceuticals, which are all classified as "hazardous" or "emerging" contaminants. The research focused on their treatability by ultrasound (US) and AOPs with emphasis on the mineralization of organic carbon. Some of the highlights as pointed out in the manuscript are: i) ultrasound is capable of partially or completely oxidizing the above contaminant groups if the operating conditions are properly selected and optimized, but incapable of mineralizing them; ii) the mechanism of degradation in homogeneous solutions is OH-mediated oxidation in the bulk solution or at the bubble-liquid interface, depending on the molecular properties of the contaminant, the applied frequency and pH; iii) US-assisted AOPs such as ozonation, UV/peroxide, Fenton and UV/Fenton are substantially more effective than ultrasound alone, particularly for the mineralization process; iv) catalytic processes involving TiO 2 , alumina and zero-valent iron and assisted by ultrasound are promising options not only for the destruction of the parent compounds, but also for the mineralization of their oxidation byproducts. The degradation reactions in heterogeneous solutions take place mostly at the catalyst surface despite the high-water solubility of the compounds; v) sonolytic modification of the above catalysts to reduce their particle size (to nano-levels) or to decorate the surface with metallic nanoparticles increases the catalytic activity under sonolysis, photolysis and both, and improves the stability of the catalyst. Copyright © 2017 Elsevier B.V. All rights reserved.

Adverse Outcome Pathway (AOP) for a Mutagenic Mode of Action for Cancer: AFB1 and Hepatocellular Carcinoma (HCC)

EPA Science Inventory

AOPs provide a framework to describe a sequence of measureable key events (KEs), beginning with a molecular initiating event (MIE), followed by a series of identified KEs linked to one another by KE Relationships (KERs), all anchored by a specific adverse outcome (AO). Each KE/KE...

Case Study: AOP, Alliance Organizing Project. Strong Neighborhoods, Strong Schools. The Indicators Project on Education Organizing.

ERIC Educational Resources Information Center

Gold, Eva; Pickron-Davis, Marcine; Brown, Chris

This report describes Philadelphia, Pennsylvania's, Alliance Organizing Project (AOP), which organized parents and families of Philadelphia's public school students to become full partners in Philadelphia school reform. It is one of five case studies in the Indicators Project on Education Organizing, which identified eight indicators of the impact…

A workflow to investigate exposure and pharmacokinetic influences on high-throughput in vitro chemical screening based on adverse outcome pathways, OpenTox USA 2015 Poster

EPA Science Inventory

Adverse outcome pathways (AOP) link known population outcomes to a molecular initiating event (MIE) that can be quantified using high-throughput in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires consideration of exposure and absorption,...

A Network of AOPs for reduced thyroid hormone synthesis derived from inhibition of Thyroperoxidase - A common Molecular Initiating Event Leading to Species-Specific Indices of Adversity.

EPA Science Inventory

This collection of 3 AOPs describe varying outcomes of adversity dependent upon species in response to inhibition of thyroperoxidase (TPO) during development. Chemical inhibition of TPO, the molecular-initiating event (MIE), results in decreased thyroid hormone (TH) synthesis, a...

Probe molecules (PrM) approach in adverse outcome pathway (AOP) based high throughput screening (HTS): in vivo discovery for developing in vitro target methods

EPA Science Inventory

Efficient and accurate adverse outcome pathway (AOP) based high-throughput screening (HTS) methods use a systems biology based approach to computationally model in vitro cellular and molecular data for rapid chemical prioritization; however, not all HTS assays are grounded by rel...

Comprehensive study on effects of water matrices on removal of pharmaceuticals by three different kinds of advanced oxidation processes.

PubMed

Tokumura, Masahiro; Sugawara, Asato; Raknuzzaman, Mohammad; Habibullah-Al-Mamun, Md; Masunaga, Shigeki

2016-09-01

Simple semi-theoretical models were developed to estimate the performance of three different kinds of advanced oxidation processes (AOPs) in the degradation of pharmaceuticals. The AOPs included the photo-Fenton process as an example of a liquid-liquid reaction, the TiO2 photocatalytic oxidation process as a solid-liquid reaction, and the combined ozone and hydrogen peroxide oxidation process as a gas-liquid reaction; the effects of the aqueous matrices (CESs: co-existing substances) of actual wastewater on the removal of pharmaceuticals (carbamazepine and diclofenac) was taken into account. By comparing the characteristic parameters of the models, obtained from the experiments using pure water and actual wastewater, the effects of CESs on the respective removal mechanisms could be separately and quantitatively evaluated. As a general tendency, the AOPs proceeded less effectively (were inhibited) in the matrices containing CESs, as observed with the use of a lower initial concentration of pharmaceuticals. The inhibition mechanisms differed for the three types of AOPs. In the photo-Fenton process, the Fenton reaction was improved by the incorporation of CESs, while the photo-reduction reaction was significantly inhibited. In the TiO2 photocatalytic oxidation process, competition between the pharmaceuticals and CESs for adsorption on the catalyst surface was a less significant inhibitory factor than the scavenger effects of the CESs. The combined ozone and hydrogen peroxide oxidation process was most strongly inhibited by CESs among the AOPs investigated in this study. Copyright © 2016 Elsevier Ltd. All rights reserved.

Oxidation of winery wastewater by sulphate radicals: catalytic and solar photocatalytic activations.

PubMed

Rodríguez-Chueca, Jorge; Amor, Carlos; Mota, Joana; Lucas, Marco S; Peres, José A

2017-10-01

The treatment of winery effluents through sulphate radical-based advanced oxidation processes (SR-AOPs) driven by solar radiation is reported in this study. Photolytic and catalytic activations of peroxymonosulphate (PMS) and persulphate (KPS and SPS) at different pH values (4.5 and 7) were studied in the degradation of organic matter. Portugal is one of the largest wine producers in Europe. The wine making activities generate huge volume of effluents characterized by a variable volume and organic load, being their seasonal nature one of the most important drawbacks. Recently, SR-AOPs are gradually attracting attention as in situ chemical oxidation technologies, instead of hydroxyl radical AOPs (HR-AOPs). The studied concentrations are suitable to obtain notable values of organic matter degradation, with TOC removal around 50%. In general terms, no notable differences were observed between treatments at pH values 4.5 and 7. Photolytic activation of SPS with solar radiation treatments obtained the highest efficiency (28 and 40% of TOC removal with 1 and 50 mM, respectively, at pH 4.5) in comparison to KPS and PMS. The addition of a transition metal as catalyst, such as Fe(II) or Co(II), increased considerably the TOC removal efficiency higher than 50%, but not in all cases. For instance, the combination KPS or PMS with Co(II) at pH 4.5 did not allow to obtain better results than photolytic activation of these persulphate salts. In summary, the use of SR-AOPs could be a serious alternative as tertiary treatment for winery wastewaters.

Utilizing ToxCast Data and Lifestage Physiologically-Based Pharmacokinetic (PBPK) models to Drive Adverse Outcome Pathways (AOPs)-Based Margin of Exposures (ABME) to Chemicals.

EPA Science Inventory

Utilizing ToxCast Data and Lifestage Physiologically-Based Pharmacokinetic (PBPK) models to Drive Adverse Outcome Pathways (AOPs)-Based Margin of Exposures (ABME) to Chemicals. Hisham A. El-Masri1, Nicole C. Klienstreur2, Linda Adams1, Tamara Tal1, Stephanie Padilla1, Kristin I...

20170312 - Adverse Outcome Pathway (AOP) framework for ...

EPA Pesticide Factsheets

Vascular development commences with de novo assembly of a primary capillary plexus (vasculogenesis) followed by its expansion (angiogenesis) and maturation (angio-adaptation) into a hierarchical system of arteries and veins. These processes are tightly regulated by genetic signals and environmental factors linked to morphogenesis and microphysiology. Gestational exposure to some chemicals disrupts vascular development leading to adverse outcomes. To broadly assess consequences of gestational toxicant exposure on vascular development, an Adverse Outcome Pathway (AOP) framework was constructed that integrates data from ToxCast high-throughput screening (HTS) assays with pathway-level information from the literature and public databases. The AOP-based model resolved the ToxCast library (1065 compounds) into a matrix based on several dozen molecular functions critical for developmental angiogenesis. A sample of 38 ToxCast chemicals selected across the matrix tested model performance. Putative vascular disrupting chemical (pVDC) bioactivity was assessed by multiple laboratories utilizing diverse angiogenesis assays, including: transgenic zebrafish, complex human cell co-cultures, engineered microscale systems, and human-synthetic models. The ToxCast pVDC signature predicted vascular disruption in a manner that was chemical-specific and assay-dependent. An AOP for developmental vascular toxicity was constructed that focuses on inhibition of VEGF receptor (VEGFR2). Thi

Adverse Outcome Pathway (AOP) framework for embryonic ...

EPA Pesticide Factsheets

Vascular development commences with de novo assembly of a primary capillary plexus (vasculogenesis) followed by its expansion (angiogenesis) and maturation (angio-adaptation) into a hierarchical system of arteries and veins. These processes are tightly regulated by genetic signals and environmental factors linked to morphogenesis and microphysiology. Gestational exposure to some chemicals disrupts vascular development leading to adverse outcomes. To broadly assess consequences of gestational toxicant exposure on vascular development, an Adverse Outcome Pathway (AOP) framework was constructed that integrates data from ToxCast high-throughput screening (HTS) assays with pathway-level information from the literature and public databases. The AOP-based model resolved the ToxCast library (1065 compounds) into a matrix based on several dozen molecular functions critical for developmental angiogenesis. A sample of 38 ToxCast chemicals selected across the matrix tested model performance. Putative vascular disrupting chemical (pVDC) bioactivity was assessed by multiple laboratories utilizing diverse angiogenesis assays, including: transgenic zebrafish, complex human cell co-cultures, engineered microscale systems, and human-synthetic models. The ToxCast pVDC signature predicted vascular disruption in a manner that was chemical-specific and assay-dependent. An AOP for developmental vascular toxicity was constructed that focuses on inhibition of VEGF receptor (VEGFR2). Thi

Use of Non-Apical Assay Data in an Integrated Approach to Testing and Assessment of Chemical Mixtures in the Environment: the Advent of Adverse Outcome Pathway Footprinting

EPA Science Inventory

This speaker abstract is part of a session proposal for the 2018 Society of Toxicology annual meeting. I am proposing to speak about the use of new approach methods and data, such as AOPs, in mixtures risk assessment. I have developed an innovative approach called AOP footprint...

Application of the adverse outcome pathway (AOP) concept to structure the available in vivo and in vitro mechanistic data for allergic sensitization to food proteins.

PubMed

van Bilsen, Jolanda H M; Sienkiewicz-Szłapka, Edyta; Lozano-Ojalvo, Daniel; Willemsen, Linette E M; Antunes, Celia M; Molina, Elena; Smit, Joost J; Wróblewska, Barbara; Wichers, Harry J; Knol, Edward F; Ladics, Gregory S; Pieters, Raymond H H; Denery-Papini, Sandra; Vissers, Yvonne M; Bavaro, Simona L; Larré, Colette; Verhoeckx, Kitty C M; Roggen, Erwin L

2017-01-01

The introduction of whole new foods in a population may lead to sensitization and food allergy. This constitutes a potential public health problem and a challenge to risk assessors and managers as the existing understanding of the pathophysiological processes and the currently available biological tools for prediction of the risk for food allergy development and the severity of the reaction are not sufficient. There is a substantial body of in vivo and in vitro data describing molecular and cellular events potentially involved in food sensitization. However, these events have not been organized in a sequence of related events that is plausible to result in sensitization, and useful to challenge current hypotheses. The aim of this manuscript was to collect and structure the current mechanistic understanding of sensitization induction to food proteins by applying the concept of adverse outcome pathway (AOP). The proposed AOP for food sensitization is based on information on molecular and cellular mechanisms and pathways evidenced to be involved in sensitization by food and food proteins and uses the AOPs for chemical skin sensitization and respiratory sensitization induction as templates. Available mechanistic data on protein respiratory sensitization were included to fill out gaps in the understanding of how proteins may affect cells, cell-cell interactions and tissue homeostasis. Analysis revealed several key events (KE) and biomarkers that may have potential use in testing and assessment of proteins for their sensitizing potential. The application of the AOP concept to structure mechanistic in vivo and in vitro knowledge has made it possible to identify a number of methods, each addressing a specific KE, that provide information about the food allergenic potential of new proteins. When applied in the context of an integrated strategy these methods may reduce, if not replace, current animal testing approaches. The proposed AOP will be shared at the www.aopwiki.org platform to expand the mechanistic data, improve the confidence in each of the proposed KE and key event relations (KERs), and allow for the identification of new, or refinement of established KE and KERs.

A method to calculate Stokes parameters and angle of polarization of skylight from polarized CIMEL sun/sky radiometers

NASA Astrophysics Data System (ADS)

Li, L.; Li, Z.; Li, K.; Blarel, L.; Wendisch, M.

2014-12-01

The polarized CIMEL sun/sky radiometers have been routinely operated within the Sun/sky-radiometer Observation NETwork (SONET) in China and some sites of the AErosol RObotic NETwork (AERONET) around the world. However, the polarization measurements are not yet widely used due to in a certain degree the lack of Stokes parameters derived directly from these polarization measurements. Meanwhile, it have been shown that retrievals of several microphysical properties of aerosol particles can be significantly improved by using degree of linear polarization (DoLP) measurements of polarized CIMEL sun/sky radiometers (CE318-DP). The Stokes parameters Q and U, as well as angle of polarization (AoP) contain additional information about linear polarization and its orientation. A method to calculate Stokes parameters Q, U, and AoP from CE318-DP polarized skylight measurements is introduced in this study. A new polarized almucantar geometry based on CE318-DP is measured to illustrate abundant variation features of these parameters. The polarization parameters calculated in this study are consistent with previous results of DoLP and I, and also comparable to vector radiative transfer simulations.

A new algorithm for detection of apnea in infants in neonatal intensive care units

NASA Astrophysics Data System (ADS)

Lee, Hoshik; Vergales, Brooke; Paget-Brown, Alix; Rusin, Craig; Moorman, Randall; Kattwinkel, John; Delos, John

2011-03-01

Apnea is a very common problem for premature infants: apnea of prematurity (AOP) occurs in >50% of babies whose birth weight is less than 1500 g, and AOP is found in almost all babies who are < 1000 g at birth. Current respiration detectors often fail to detect apnea, and also give many false alarms. We have created a new algorithm for detection of apnea. Respiration is monitored by continuous measurement of chest impedance (CI). However, the pulsing of the heart also causes fluctuations in CI. We developed a new adaptive filtering system to remove heart activity from CI, thereby giving much more reliable measurements of respiration. The new approach is to rescale the impedance measurement to heartbeat-time, sampling 30 times per interbeat interval. We take the Fourier transform of the rescaled signal, bandstop filter at 1 per beat to remove fluctuations due to heartbeats, and then take the inverse transform. The filtered signal retains all properties except the impedance changes due to cardiac filling and emptying. We convert the variance of CI into an estimated likelihood of apnea. This work is supported by NICHD 5RCZHD064488.

Mussel-inspired approach to constructing robust cobalt-embedded N-doped carbon nanosheet toward enhanced sulphate radical-based oxidation

NASA Astrophysics Data System (ADS)

Zeng, Tao; Zhang, Haiyan; He, Zhiqiao; Chen, Jianmeng; Song, Shuang

2016-09-01

Heterogeneous sulphate radical based advanced oxidation processes (SR-AOPs) have lately been raised as a promising candidate for water treatment. Despite the progress made, either the stability or the performance of the current catalysts is still far from satisfactory for practical applications. Herein, using polydopamine-cobalt ion complex that inspired by mussel proteins as medium, we facilely fabricate a robust SR-AOPs catalyst with cobalt nanoparticles (NPs) embedded in nitrogen-doped reduced graphene oxide matrix (NRGO@Co). The NRGO scaffold with high porosity and surface area not only stabilizes the NPs but also greatly facilitates the accessibility and adsorption of substrates to the active sites. With the synergistic effect arising from the NRGO and Co NPs, the NRGO@Co hybrid catalyst exhibits enhanced catalytic activity for activation of peroxymonosulfate (PMS) to degrade organic pollutants in water. Furthermore, taking advantage of the favorable magnetic properties, the catalyst can be easily recycled and reused for at least 4 runs with negligible loss of activity. Coupled with systematic investigation in terms of influential factors, mineralization, and radicals identification, make the catalyst hold significant potential for application in remediation of organic pollutants in water.

Potential risks from UV/H2O2 oxidation and UV photocatalysis: A review of toxic, assimilable, and sensory-unpleasant transformation products.

PubMed

Wang, Wen-Long; Wu, Qian-Yuan; Huang, Nan; Xu, Zi-Bin; Lee, Min-Yong; Hu, Hong-Ying

2018-05-15

UV based advanced oxidation processes (UV-AOPs) that efficiently eliminate organic pollutants during water treatment have been the subject of numerous investigations. Most organic pollutants are not completely mineralized during UV-AOPs but are partially oxidized into transformation products (TPs), thereby adding complexity to the treated water and posing risks to humans, ecological systems, and the environment. While the degradation kinetics and mechanisms of pollutants have been widely documented, there is little information about the risks associated with TPs. In this review, we have collated recent knowledge about the harmful TPs that are generated in UV/H 2 O 2 and UV photocatalysis, two UV-AOPs that have been studied extensively. Toxic and assimilable TPs were ubiquitously observed in more than 80% of UV-AOPs of organic pollutants, of which the toxicity and assimilability levels changed with variations in the reaction conditions, such as the UV fluence and oxidant dosage. Previous studies and modeling assessments showed that toxic and assimilable TPs may be generated during hydroxylation, dealkylation, decarboxylation, and deamination. Among various reactions, TPs generated from dealkylation and decarboxylation were generally less and more toxic than the parent pollutants, respectively; TPs generated from decarboxylation and deamination were generally less and more assimilable than the parent pollutants, respectively. There is also potential concern about the sensory-unpleasant TPs generated by oxidations and subsequent metabolism of microorganisms. In this overview, we stress the need to include both the concentrations of organic pollutants and the evaluations of the risks from TPs for the quality assessments of the water treated by UV-AOPs. Copyright © 2018 Elsevier Ltd. All rights reserved.

Estimating Whether Replacing Time in Active Outdoor Play and Sedentary Video Games With Active Video Games Influences Youth's Mental Health.

PubMed

Janssen, Ian

2016-11-01

The primary objective was to use isotemporal substitution models to estimate whether replacing time spent in sedentary video games (SVGs) and active outdoor play (AOP) with active video games (AVGs) would be associated with changes in youth's mental health. A representative sample of 20,122 Canadian youth in Grades 6-10 was studied. The exposure variables were average hours/day spent playing AVGs, SVGs, and AOP. The outcomes consisted of a negative and internalizing mental health indicator (emotional problems), a positive and internalizing mental health indicator (life satisfaction), and a positive and externalizing mental health indicator (prosocial behavior). Isotemporal substitution models estimated the extent to which replacing time spent in SVGs and AOP with an equivalent amount of time in AVGs had on the mental health indicators. Replacing 1 hour/day of SVGs with 1 hour/day of AVGs was associated with a 6% (95% confidence interval: 3%-9%) reduced probability of high emotional problems, a 4% (2%-7%) increased probability of high life satisfaction, and a 13% (9%-16%) increased probability of high prosocial behavior. Replacing 1 hour/day of AOP with 1 hour/day of AVGs was associated with a 7% (3%-11%) increased probability of high emotional problems, a 3% (1%-5%) reduced probability of high life satisfaction, and a 6% (2%-9%) reduced probability of high prosocial behavior. Replacing SVGs with AVGs was associated with more preferable mental health indicators. Conversely, replacing AOP with AVGs was associated with more deleterious mental health indicators. Copyright © 2016 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Differentiating Pathway-Specific From Nonspecific Effects in High-Throughput Toxicity Data: A Foundation for Prioritizing Adverse Outcome Pathway Development.

PubMed

Fay, Kellie A; Villeneuve, Daniel L; Swintek, Joe; Edwards, Stephen W; Nelms, Mark D; Blackwell, Brett R; Ankley, Gerald T

2018-06-01

The U.S. Environmental Protection Agency's ToxCast program has screened thousands of chemicals for biological activity, primarily using high-throughput in vitro bioassays. Adverse outcome pathways (AOPs) offer a means to link pathway-specific biological activities with potential apical effects relevant to risk assessors. Thus, efforts are underway to develop AOPs relevant to pathway-specific perturbations detected in ToxCast assays. Previous work identified a "cytotoxic burst" (CTB) phenomenon wherein large numbers of the ToxCast assays begin to respond at or near test chemical concentrations that elicit cytotoxicity, and a statistical approach to defining the bounds of the CTB was developed. To focus AOP development on the molecular targets corresponding to ToxCast assays indicating pathway-specific effects, we conducted a meta-analysis to identify which assays most frequently respond at concentrations below the CTB. A preliminary list of potentially important, target-specific assays was determined by ranking assays by the fraction of chemical hits below the CTB compared with the number of chemicals tested. Additional priority assays were identified using a diagnostic-odds-ratio approach which gives greater ranking to assays with high specificity but low responsivity. Combined, the two prioritization methods identified several novel targets (e.g., peripheral benzodiazepine and progesterone receptors) to prioritize for AOP development, and affirmed the importance of a number of existing AOPs aligned with ToxCast targets (e.g., thyroperoxidase, estrogen receptor, aromatase). The prioritization approaches did not appear to be influenced by inter-assay differences in chemical bioavailability. Furthermore, the outcomes were robust based on a variety of different parameters used to define the CTB.

Risk Assessment in the 21st Century | Science Inventory | US ...

EPA Pesticide Factsheets

For the past ~50 years, risk assessment depended almost exclusively on animal testing for hazard identification and dose-response assessment. Originally sound and effective, with increasing dependence on chemical tools and the number of chemicals in commerce, this traditional approach is no longer adequate. This presentation provides an update on current progress in achieving the goals outlined in the NAS report on Toxicology Testing in the 21st Century, highlighting many of the advances lead by the EPA. Topics covered include the evolution of the mode of action framework into a chemically agnostic, adverse outcome pathway (AOP), a systems-based data framework that facilitates integration of modifiable factors (e.g., genetic variation, life stages), and an understanding of networks, and mixtures. Further, the EDSP pivot is used to illustrate how AOPs drive development of predictive models for risk assessment based on assembly of high throughput assays representing AOP key elements. The birth of computational exposure science, capable of large-scale predictive exposure models, is reviewed. Although still in its infancy, development of non-targeted analysis to begin addressing exposome also is presented. Finally, the systems-based AEP is described that integrates exposure, toxicokinetics and AOPs into a comprehensive framework. For the past ~50 years, risk assessment depended almost exclusively on animal testing for hazard identification and dose-response as

Developing and applying the adverse outcome pathway ...

EPA Pesticide Factsheets

To support a paradigm shift in regulatory toxicology testing and risk assessment, the Adverse Outcome Pathway (AOP) concept has recently been proposed. This concept is similar to that for Mode of Action (MOA), describing a sequence of measurable key events triggered by a molecular initiating event in which a stressor interacts with a biological target. The resulting cascade of key events includes molecular, cellular, structural and functional changes in biological systems, resulting in a measurable adverse outcome. Thereby, an AOP ideally provides information relevant to chemical structure-activity relationships as a basis to predict effects for structurally similar compounds. AOPs could potentially also form the basis for qualitative and quantitative predictive modeling of the human adverse outcome resulting from molecular initiating or other key events for which higher-throughput testing methods are available or can be developed.A variety of cellular and molecular processes are known to be critical to normal function of the central (CNS) and peripheral nervous systems (PNS). Because of the biological and functional complexity of the CNS and PNS, it has been challenging to establish causative links and quantitative relationships between key events that comprise the pathways leading from chemical exposure to an adverse outcome in the nervous system. Following introduction of principles of the description and assessment of MOA and AOPs, examples of adverse out

Differentiating high priority pathway-based toxicity from non ...

EPA Pesticide Factsheets

The ToxCast chemical screening approach enables the rapid assessment of large numbers of chemicals for biological effects, primarily at the molecular level. Adverse outcome pathways (AOPs) offer a means to link biomolecular effects with potential adverse outcomes at the level of the individual or population, thus enhancing the utility of the ToxCast effort for hazard assessment. Thus, efforts are underway to develop AOPs relevant to the pathway perturbations detected in ToxCast assays. However, activity (?‘hits’) determined for chemical-assay pairs may reflect target-specific activity relevant to a molecular initiating event of an AOP, or more generalized cell stress and cytotoxicity-mediated effects. Previous work identified a ?‘cytotoxic burst’ phenomenon wherein large numbers of assays begin to respond at or near concentrations that elicit cytotoxicity. The concentration range at which the “burst” occurs is definable, statistically. Consequently, in order to focus AOP development on the ToxCast assay targetswhich are most sensitive and relevant to pathway-specific effects, we conducted a meta-analysis to identify which assays were frequently responding at concentrations well below the cytotoxic burst. Assays were ranked by the fraction of chemical hits below the burst concentration range compared to the number of chemicals tested, resulting in a preliminary list of potentially important, target-specific assays. After eliminating cytotoxicity a

Cross-species assay validation using the AOP “deiodinase ...

EPA Pesticide Factsheets

High throughput screening assays able to detect chemical interactions with specific biological targets are increasingly being used to identify chemicals that could be hazardous to humans or wildlife. Most of these assays examine interaction with mammalian proteins. The present work demonstrates that mammalian-based assays designed to screen for interactions of chemicals with deiodinase, an enzyme important to thyroid hormone signaling provides results that are generally consistent with those obtained when a fish-specific deiodinase assay was employed. This gives confidence, that in most cases, a mammalian-based screening assay should detect chemicals that could act as thyroid disrupting chemicals (through this particular mode of action) in fish as well as mammals. Thus, this work helps support implementation of more efficient and cost effective approaches to chemical safety assessment.Abstract: The Adverse Outcome Pathway (AOP) concept is increasingly being recognized as a promising conceptual framework for describing toxicity pathways, which contains information that is sufficient to predict an adverse outcome of regulatory importance. Previously, we assessed the feasibility of developing an alternative, mechanistically informative testing strategy to replace the chronic Fish Early-Life Stage test (FELS, OECD TG 210), using an AOP-based approach. We developed an AOP encompassing deiodinase (DIO) inhibition resulting in decreased T3 concentrations leading to im

'Getting back to normal': the added value of an art-based programme in promoting 'recovery' for common but chronic mental health problems.

PubMed

Makin, Sally; Gask, Linda

2012-03-01

OBJECTIVES. The aim of this project was to explore the added value of participation in an Arts on Prescription (AoP) programme to aid the process of recovery in people with common but chronic mental health problems that have already undergone a psychological 'talking'-based therapy. METHODS. The study utilized qualitative in-depth interviews with 15 clients with persistent anxiety and depression who had attended an 'AoP' service and had previously received psychological therapy. RESULTS and discussion. Attending AoP aided the process of recovery, which was perceived by participants as 'returning to normality' through enjoying life again, returning to previous activities, setting goals and stopping dwelling on the past. Most were positive about the benefits they had previously gained from talking therapies. However, these alone were not perceived as having been sufficient to achieve recovery. The AoP offered some specific opportunities in this regard, mediated by the therapeutic and effect of absorption in an activity, the specific creative potential of art, and the social aspects of attending the programme. CONCLUSIONS. For some people who experience persistent or relapsing common mental health problems, participation in an arts-based programme provides 'added value' in aiding recovery in ways not facilitated by talking therapies alone.

Theoretical insight into reaction mechanisms of 2,4-dinitroanisole with hydroxyl radicals for advanced oxidation processes.

PubMed

Zhou, Yang; Liu, Xiaoqiang; Jiang, Weidong; Shu, Yuanjie

2018-01-24

The detailed degradation mechanism of an insensitive explosive, 2,4-dinitroanisole (DNAN), in advanced oxidation processes (AOPs) was investigated computationally at the M06-2X/6-311 + G(d,p)/SMD level of theory. Results obtained show that the addition-elimination reaction is the dominant mechanism. The phenol products formed can continue to be oxidized to benzoquinone radicals that are often detected by experiments and may be the initial reactants of ring-opening reactions. The H-abstraction reaction is an unavoidable competing mechanism; the intermediate generated can also undergo the process of addition-elimination reaction. The nitro departure reaction involves not only hydroxyl radical (•OH), but also other active substances (such as •H). More importantly, we found that AOP technology can easily degrade DNAN, similar to TNT and DNT. Thus, this method is worth trying in experiments. The conclusions of this work provide theoretical support for such experimental research. Graphical abstract Possible pathways of degradation by •OH radicals in advanced oxidation processes (AOPs) of the typical insensitive explosive 2,4-dinitroanisole (DNAN) were investigated by density functional theory (DFT) methods. Based on the Gibbs free energy barriers and intermediates, the dominant reaction mechanism was determined. The conclusions will be helpful in utilizing AOP technology to remove DNAN pollution.

Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA).

PubMed

Tollefsen, Knut Erik; Scholz, Stefan; Cronin, Mark T; Edwards, Stephen W; de Knecht, Joop; Crofton, Kevin; Garcia-Reyero, Natalia; Hartung, Thomas; Worth, Andrew; Patlewicz, Grace

2014-12-01

Chemical regulation is challenged by the large number of chemicals requiring assessment for potential human health and environmental impacts. Current approaches are too resource intensive in terms of time, money and animal use to evaluate all chemicals under development or already on the market. The need for timely and robust decision making demands that regulatory toxicity testing becomes more cost-effective and efficient. One way to realize this goal is by being more strategic in directing testing resources; focusing on chemicals of highest concern, limiting testing to the most probable hazards, or targeting the most vulnerable species. Hypothesis driven Integrated Approaches to Testing and Assessment (IATA) have been proposed as practical solutions to such strategic testing. In parallel, the development of the Adverse Outcome Pathway (AOP) framework, which provides information on the causal links between a molecular initiating event (MIE), intermediate key events (KEs) and an adverse outcome (AO) of regulatory concern, offers the biological context to facilitate development of IATA for regulatory decision making. This manuscript summarizes discussions at the Workshop entitled "Advancing AOPs for Integrated Toxicology and Regulatory Applications" with particular focus on the role AOPs play in informing the development of IATA for different regulatory purposes. Copyright © 2014 Elsevier Inc. All rights reserved.

Solar physics in Potsdam. (German Title: Sonnenphysik in Potsdam)

NASA Astrophysics Data System (ADS)

Staude, Jürgen

Solar research initiated the establishment of the Astrophysical Observatory Potsdam (AOP) in 1874. The present contribution outlines the development of solar physics in Potsdam from the early history of the AOP to this day. The main topics are the work of Karl Schwarzschild, the investigations related to the general theory of relativity, the foundation of the Einstein tower, Walter Grotrian's founding of modern coronal physics, and the investigations of sunspot magnetic fields.

Giardia duodenalis: Number and Fluorescence Reduction Caused by the Advanced Oxidation Process (H2O2/UV)

PubMed Central

Guimarães, José Roberto; Franco, Regina Maura Bueno; Guadagnini, Regiane Aparecida; dos Santos, Luciana Urbano

2014-01-01

This study evaluated the effect of peroxidation assisted by ultraviolet radiation (H2O2/UV), which is an advanced oxidation process (AOP), on Giardia duodenalis cysts. The cysts were inoculated in synthetic and surface water using a concentration of 12 g H2O2 L−1 and a UV dose (λ = 254 nm) of 5,480 mJcm−2. The aqueous solutions were concentrated using membrane filtration, and the organisms were observed using a direct immunofluorescence assay (IFA). The AOP was effective in reducing the number of G. duodenalis cysts in synthetic and surface water and was most effective in reducing the fluorescence of the cyst walls that were present in the surface water. The AOP showed a higher deleterious potential for G. duodenalis cysts than either peroxidation (H2O2) or photolysis (UV) processes alone. PMID:27379301

Automated 3D ultrasound measurement of the angle of progression in labor.

PubMed

Montaguti, Elisa; Rizzo, Nicola; Pilu, Gianluigi; Youssef, Aly

2018-01-01

To assess the feasibility and reliability of an automated technique for the assessment of the angle of progression (AoP) in labor by using three-dimensional (3D) ultrasound. AoP was assessed by using 3D transperineal ultrasound by two operators in 52 women in active labor to evaluate intra- and interobserver reproducibility. Furthermore, intermethod agreement between automated and manual techniques on 3D images, and between automated technique on 3D vs 2D images were evaluated. Automated measurements were feasible in all cases. Automated measurements were considered acceptable in 141 (90.4%) out of the 156 on the first assessments and in all 156 after repeating measurements for unacceptable evaluations. The automated technique on 3D images demonstrated good intra- and interobserver reproducibility. The 3D-automated technique showed a very good agreement with the 3D manual technique. Notably, AoP calculated with the 3D automated technique were significantly wider in comparison with those measured manually on 3D images (133 ± 17° vs 118 ± 21°, p = 0.013). The assessment of the angle of progression through 3D ultrasound is highly reproducible. However, automated software leads to a systematic overestimation of AoP in comparison with the standard manual technique thus hindering its use in clinical practice in its present form.

Risk Assessment in the 21st Century - Conference Abstract ...

EPA Pesticide Factsheets

For the past ~50 years, risk assessment depended almost exclusively on animal testing for hazard identification and dose-response assessment. Originally sound and effective, with increasing dependence on chemical tools and the number of chemicals in commerce, this traditional approach is no longer sufficient. This presentation provides an update on current progress in achieving the goals outlined in the NAS reports: “Toxicology Testing in the 21st Century”, “Exposure Science in the 21st Century”, and most recently, “Using 21st Century Science to Improve Risk-Related Evaluations.” The presentation highlights many of the advances lead by the EPA. Topics covered include the evolution of the mode of action concept into the chemically agnostic, adverse outcome pathway (AOP), a systems-based data framework that facilitates integration of modifiable factors (e.g., genetic variation, life stages), and an understanding of networks, and mixtures. Further, the EDSP pivot is used to illustrate how AOPs drive development of predictive models for risk assessment based on assembly of high throughput assays representing AOP key elements. The birth of computational exposure science, capable of large-scale predictive exposure models, is reviewed. Although still in its infancy, development of non-targeted analysis to begin addressing the exposome is presented, as is the systems-based AEP that integrates exposure, toxicokinetics and AOPs into a comprehensive framework

Reverse Osmosis Shifts Chloramine Speciation Causing Re-Formation of NDMA during Potable Reuse of Wastewater.

PubMed

McCurry, Daniel L; Ishida, Kenneth P; Oelker, Gregg L; Mitch, William A

2017-08-01

UV-based advanced oxidation processes (AOPs) effectively degrade N-nitrosodimethylamine (NDMA) passing through reverse osmosis (RO) units within advanced treatment trains for the potable reuse of municipal wastewater. However, certain utilities have observed the re-formation of NDMA after the AOP from reactions between residual chloramines and NDMA precursors in the AOP product water. Using kinetic modeling and bench-scale RO experiments, we demonstrate that the low pH in the RO permeate (∼5.5) coupled with the effective rejection of NH 4 + promotes conversion of the residual monochloramine (NH 2 Cl) in the permeate to dichloramine (NHCl 2 ) via the reaction: 2 NH 2 Cl + H + ↔ NHCl 2 + NH 4 + . Dichloramine is the chloramine species known to react with NDMA precursors to form NDMA. After UV/AOP, utilities generally use lime or other techniques to increase the pH of the finished water to prevent distribution system corrosion. Modeling indicated that, while the increase in pH halts dichloramine formation, it converts amine-based NDMA precursors to their more reactive, neutral forms. With modeling, and experiments at both bench-scale and field-scale, we demonstrate that reducing the time interval between RO treatment and final pH adjustment can significantly reduce NDMA re-formation by minimizing the amount of dichloramine formed prior to reaching the final target pH.

Handling Trajectory Uncertainties for Airborne Conflict Management

NASA Technical Reports Server (NTRS)

Barhydt, Richard; Doble, Nathan A.; Karr, David; Palmer, Michael T.

2005-01-01

Airborne conflict management is an enabling capability for NASA's Distributed Air-Ground Traffic Management (DAG-TM) concept. DAGTM has the goal of significantly increasing capacity within the National Airspace System, while maintaining or improving safety. Under DAG-TM, autonomous aircraft maintain separation from each other and from managed aircraft unequipped for autonomous flight. NASA Langley Research Center has developed the Autonomous Operations Planner (AOP), an onboard decision support system that provides airborne conflict management (ACM) and strategic flight planning support for autonomous aircraft pilots. The AOP performs conflict detection, prevention, and resolution from nearby traffic aircraft and area hazards. Traffic trajectory information is assumed to be provided by Automatic Dependent Surveillance Broadcast (ADS-B). Reliable trajectory prediction is a key capability for providing effective ACM functions. Trajectory uncertainties due to environmental effects, differences in aircraft systems and performance, and unknown intent information lead to prediction errors that can adversely affect AOP performance. To accommodate these uncertainties, the AOP has been enhanced to create cross-track, vertical, and along-track buffers along the predicted trajectories of both ownship and traffic aircraft. These buffers will be structured based on prediction errors noted from previous simulations such as a recent Joint Experiment between NASA Ames and Langley Research Centers and from other outside studies. Currently defined ADS-B parameters related to navigation capability, trajectory type, and path conformance will be used to support the algorithms that generate the buffers.

Micropollutant degradation, bacterial inactivation and regrowth risk in wastewater effluents: Influence of the secondary (pre)treatment on the efficiency of Advanced Oxidation Processes.

PubMed

Giannakis, Stefanos; Voumard, Margaux; Grandjean, Dominique; Magnet, Anoys; De Alencastro, Luiz Felippe; Pulgarin, César

2016-10-01

In this work, disinfection by 5 Advanced Oxidation Processes was preceded by 3 different secondary treatment systems present in the wastewater treatment plant of Vidy, Lausanne (Switzerland). 5 AOPs after two biological treatment methods (conventional activated sludge and moving bed bioreactor) and a physiochemical process (coagulation-flocculation) were tested in laboratory scale. The dependence among AOPs efficiency and secondary (pre)treatment was estimated by following the bacterial concentration i) before secondary treatment, ii) after the different secondary treatment methods and iii) after the various AOPs. Disinfection and post-treatment bacterial regrowth were the evaluation indicators. The order of efficiency was Moving Bed Bioreactor > Activated Sludge > Coagulation-Flocculation > Primary Treatment. As far as the different AOPs are concerned, the disinfection kinetics were: UVC/H2O2 > UVC and solar photo-Fenton > Fenton or solar light. The contextualization and parallel study of microorganisms with the micropollutants of the effluents revealed that higher exposure times were necessary for complete degradation compared to microorganisms for the UV-based processes and inversed for the Fenton-related ones. Nevertheless, in the Fenton-related systems, the nominal 80% removal of micropollutants deriving from the Swiss legislation, often took place before the elimination of bacterial regrowth risk. Copyright © 2016 Elsevier Ltd. All rights reserved.

PUTATIVE ADVERSE OUTCOME PATHWAY FOR INHIBITON ...

EPA Pesticide Factsheets

The adverse outcome pathway (AOP) provides a framework for organizing knowledge to define links between a molecular initiating event (MIE) and an adverse outcome (AO) occurring at a higher level of biological organization, such as the individual or population. The AOP framework proceeds from a general (e.g., not chemical specific) molecular mode of action, designated as a MIE, through stepwise changes in biological status, defined as key events (KEs), to a final AO that can be used in risk assessment. Because aromatase-inhibiting pharmaceuticals are widely used to treat breast cancer patients, we explored the unintended consequences that might occur in fish exposed to these chemicals through wastewater discharge into the aquatic environment. Unlike mammals, fish have two isoforms of aromatase, one that predominates in the ovary (cyp19a1a) and a second (cyp19a1b) that prevails in the brain. Aromatase activity in fish brain can be 100 to 1000 times that in mammals and is associated with reproduction. We have developed a putative AOP for inhibition of brain aromatase in fish leading to reproductive dysfunction based on review of relevant literature and reproductive experiments with the marine fish cunner (Tautogolabrus adspersus) exposed to aromatase-inhibiting pharmaceuticals in the laboratory. The first KE in this AOP is a decrease in brain aromatase activity due to exposure to an aromatase inhibitor. KEs then progress through subsequent steps including decreas

INVESTIGATING ALTERNATIVES TO THE FISH EARLY-LIFE STAGE TEST: A STRATEGY FOR DISCOVERING AND ANNOTATING ADVERSE OUTCOME PATHWAYS FOR EARLY FISH DEVELOPMENT

PubMed Central

Villeneuve, Daniel; Volz, David C; Embry, Michelle R; Ankley, Gerald T; Belanger, Scott E; Léonard, Marc; Schirmer, Kristin; Tanguay, Robert; Truong, Lisa; Wehmas, Leah

2014-01-01

The fish early-life stage (FELS) test (Organisation for Economic Co-operation and Development [OECD] test guideline 210) is the primary test used internationally to estimate chronic fish toxicity in support of ecological risk assessments and chemical management programs. As part of an ongoing effort to develop efficient and cost-effective alternatives to the FELS test, there is a need to identify and describe potential adverse outcome pathways (AOPs) relevant to FELS toxicity. To support this endeavor, the authors outline and illustrate an overall strategy for the discovery and annotation of FELS AOPs. Key events represented by major developmental landmarks were organized into a preliminary conceptual model of fish development. Using swim bladder inflation as an example, a weight-of-evidence–based approach was used to support linkage of key molecular initiating events to adverse phenotypic outcomes and reduced young-of-year survival. Based on an iterative approach, the feasibility of using key events as the foundation for expanding a network of plausible linkages and AOP knowledge was explored and, in the process, important knowledge gaps were identified. Given the scope and scale of the task, prioritization of AOP development was recommended and key research objectives were defined relative to factors such as current animal-use restrictions in the European Union and increased demands for fish toxicity data in chemical management programs globally. The example and strategy described are intended to guide collective efforts to define FELS-related AOPs and develop resource-efficient predictive assays that address the toxicological domain of the OECD 210 test. Environ Toxicol Chem 2014;33:158–169. © 2013 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution, and reproduction in any medium, provided the original work is properly cited. PMID:24115264

Air Force Dynamic Mechanical Analysis of NATO Round Robin Propellant Testing for Development of AOP-4717

DTIC Science & Technology

2015-09-23

Round Robin Propellant Testing for Development of AOP-4717 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S...area code) N/A Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std. 239.18 0 Air Force Dynamic Mechanical Analysis of NATO Round Robin ...the clamps are tight at the coldest temperature. • Long tests such as the frequency sweep sequences prescribed in this round robin may be

Pretreatment of whole blood using hydrogen peroxide and UV irradiation. Design of the advanced oxidation process.

PubMed

Bragg, Stefanie A; Armstrong, Kristie C; Xue, Zi-Ling

2012-08-15

A new process to pretreat blood samples has been developed. This process combines the Advanced Oxidation Process (AOP) treatment (using H(2)O(2) and UV irradiation) with acid deactivation of the enzyme catalase in blood. A four-cell reactor has been designed and built in house. The effect of pH on the AOP process has been investigated. The kinetics of the pretreatment process shows that at high C(H(2)O(2),t=0), the reaction is zeroth order with respect to C(H(2)O(2)) and first order with respect to C(blood). The rate limiting process is photon flux from the UV lamp. Degradation of whole blood has been compared with that of pure hemoglobin samples. The AOP pretreatment of the blood samples has led to the subsequent determination of chromium and zinc concentrations in the samples using electrochemical methods. Copyright © 2012 Elsevier B.V. All rights reserved.

Extraction and Characterization of Highly Gelling Low Methoxy Pectin from Cashew Apple Pomace

PubMed Central

Yapo, Beda M.; Koffi, Kouassi L.

2013-01-01

Investigation on the pectic substances of cashew (Anacardium occidentale L.) apple under different acid-extraction conditions (pH 1.0, 1.5, and 2.0) showed that more than 10%–25% of A. occidentale pectins (AOP) could be extracted, depending on the extractant strength. The extracted AOP contained high amounts of galacturonic acid (GalA: 69.9%–84.5%) with some neutral sugars of which rhamnose (Rha: 1.3%–2.5%), arabinose (Ara: 2.6%–5.4%), and galactose (Gal: 4.7%–8.6%) were the main constituents. The degree of methoxylation (DM) was in the range of 28%–46% and was only slightly affected by the extractant strength, thereby indicating isolation of naturally low methoxy pectins (LMP). In terms of gelling capability, AOP yielded firmer Ca2+-mediated LMP gels than commercial citrus LMP with comparable DM. Cashew apple pomace, therefore, appears to be a potentially viable source for possible production of “non-chemically or enzymatically-tailored” LMP. PMID:28234301

Advanced oxidation process-mediated removal of pharmaceuticals from water: A review.

PubMed

Kanakaraju, Devagi; Glass, Beverley D; Oelgemöller, Michael

2018-08-01

Pharmaceuticals, which are frequently detected in natural and wastewater bodies as well as drinking water have attracted considerable attention, because they do not readily biodegrade and may persist and remain toxic. As a result, pharmaceutical residues pose on-going and potential health and environmental risks. To tackle these emerging contaminants, advanced oxidation processes (AOPs) such as photo-Fenton, sonolysis, electrochemical oxidation, radiation and ozonation etc. have been applied to remove pharmaceuticals. These processes utilize the high reactivity of hydroxyl radicals to progressively oxidize organic compounds to innocuous products. This review provides an overview of the findings from recent studies, which have applied AOPs to degrade pharmaceutical compounds. Included is a discussion that links various factors of TiO 2 -mediated photocatalytic treatment to its effectiveness in degrading pharmaceutical residues. This review furthermore highlights the success of AOPs in the removal of pharmaceuticals from different water matrices and recommendations for future studies are outlined. Copyright © 2018 Elsevier Ltd. All rights reserved.

An automated technique to identify potential inappropriate traditional Chinese medicine (TCM) prescriptions.

PubMed

Yang, Hsuan-Chia; Iqbal, Usman; Nguyen, Phung Anh; Lin, Shen-Hsien; Huang, Chih-Wei; Jian, Wen-Shan; Li, Yu-Chuan

2016-04-01

Medication errors such as potential inappropriate prescriptions would induce serious adverse drug events to patients. Information technology has the ability to prevent medication errors; however, the pharmacology of traditional Chinese medicine (TCM) is not as clear as in western medicine. The aim of this study was to apply the appropriateness of prescription (AOP) model to identify potential inappropriate TCM prescriptions. We used the association rule of mining techniques to analyze 14.5 million prescriptions from the Taiwan National Health Insurance Research Database. The disease and TCM (DTCM) and traditional Chinese medicine-traditional Chinese medicine (TCMM) associations are computed by their co-occurrence, and the associations' strength was measured as Q-values, which often referred to as interestingness or life values. By considering the number of Q-values, the AOP model was applied to identify the inappropriate prescriptions. Afterwards, three traditional Chinese physicians evaluated 1920 prescriptions and validated the detected outcomes from the AOP model. Out of 1920 prescriptions, 97.1% of positive predictive value and 19.5% of negative predictive value were shown by the system as compared with those by experts. The sensitivity analysis indicated that the negative predictive value could improve up to 27.5% when the model's threshold changed to 0.4. We successfully applied the AOP model to automatically identify potential inappropriate TCM prescriptions. This model could be a potential TCM clinical decision support system in order to improve drug safety and quality of care. Copyright © 2016 John Wiley & Sons, Ltd.

Photolysis of Mono- and Dichloramines in UV/Hydrogen Peroxide: Effects on 1,4-Dioxane Removal and Relevance in Water Reuse.

PubMed

Patton, Samuel; Romano, Mariano; Naddeo, Vincenzo; Ishida, Kenneth P; Liu, Haizhou

2018-06-05

Growing demands and increasing scarcity of fresh water resources necessitate potable water reuse, which has been implemented with the aid of UV-based advanced oxidation processes (UV/AOPs) that remove potentially hazardous trace organic contaminants from reclaimed water. During the potable reuse treatment process, chloramines are added to prevent membrane fouling that are carried over to the UV/AOP, where hydrogen peroxide (H 2 O 2 ) is commonly added. However, the impact of chloramines on the photolysis of H 2 O 2 and the overall performance of the UV/AOP remains unknown. This study investigated the impacts of the photochemistry of monochloramine (NH 2 Cl) and dichloramine (NHCl 2 ) associated with the photolysis of H 2 O 2 on the degradation of 1,4-dioxane (1,4-D), a trace organic contaminant ubiquitous in recycled water. Results indicated that NH 2 Cl and NHCl 2 alone functioned as oxidants upon UV photolysis, which produced HO • and Cl 2 •- as the two primary oxidative radicals. The speciation of chloramines did not have a significant impact on the degradation kinetics. The inclusion of monochloramine in UV/H 2 O 2 greatly decreased 1,4-D removal efficiency. HO • was the major radical in the mixed H 2 O 2 /chloramine system. Results from this study suggest that recognizing the existence of chloramines in UV/H 2 O 2 systems is important for predicting UV/AOP performance in the treatment train of potable reuse.

Hydrodynamic cavitation in combination with the ozone, hydrogen peroxide and the UV-based advanced oxidation processes for the removal of natural organic matter from drinking water.

PubMed

Čehovin, Matej; Medic, Alojz; Scheideler, Jens; Mielcke, Jörg; Ried, Achim; Kompare, Boris; Žgajnar Gotvajn, Andreja

2017-07-01

Natural organic matter in drinking water is causing concern especially due to the formation of disinfection by-products (DBPs) by chlorine, as these are proven to have adverse health effects on consumers. In this research, humic acid was used as a source of dissolved organic carbon (DOC) in drinking water (up to 3mgL -1 ). The efficiency of DOC removal was studied by applying O 3 , H 2 O 2 /O 3 , H 2 O 2 /UV and O 3 /UV advanced oxidation processes (AOPs) alone and combined with hybrid hydrodynamic cavitation (HC), generated by an orifice plate, as this technology recently shows promising potential for the treatment of water, containing recalcitrant organic substances. It was observed that the combined treatment by HC could significantly affect the performance of the applied AOPs, with as little as 3-9 passes through the cavitation generators. For O 3 and H 2 O 2 dosages up to 2 and 4mgL -1 , respectively, and UV dosage up to 300mJcm -2 , HC enhanced DOC removal by 5-15% in all combinations, except for O 3 /UV AOPs. Overall, the potential benefits of HC for DOC removal were emphasized for low ratio between applied oxidants to DOC and high UV absorbance of the sample. Investigated DBPs formation potentials require special attention for H 2 O 2 /UV AOPs and combinations with HC. Copyright © 2017 Elsevier B.V. All rights reserved.

Doxapram Treatment for Apnea of Prematurity: A Systematic Review.

PubMed

Vliegenthart, Roseanne J S; Ten Hove, Christine H; Onland, Wes; van Kaam, Anton H L C

2017-01-01

Apnea of prematurity (AOP) is a common complication of preterm birth, for which caffeine is the first treatment of choice. In case of persistent AOP, doxapram has been advocated as an additional therapy. To identify and appraise all existing evidence regarding efficacy and safety of doxapram use for AOP in infants born before 34 weeks of gestational age. All studies reporting on doxapram use for AOP were identified by searching electronic databases, references from relevant studies, and abstracts from the Societies for Pediatric Research. Two reviewers independently assessed study eligibility and quality, and extracted data on study design, patient characteristics, efficacy and safety outcomes. The randomized controlled trials showed less apnea during doxapram treatment when compared to placebo, but no difference in treatment effect when compared to theophylline. No serious adverse effects were reported. We identified 28 observational studies consisting mainly of cohort studies and case series (n = 1,994). There was considerable heterogeneity in study design and quality. Most studies reported a positive effect of doxapram on apnea rate. A few studies reported on long-term outcomes with conflicting results. A range of possible doxapram-related short-term adverse effects were reported, sometimes associated with the use of higher doses. Based on the limited number of studies and level of evidence, no firm conclusions on the efficacy and safety of doxapram in preterm infants can be drawn. For this reason, routine use cannot be recommended. A large multicenter randomized controlled trial is urgently needed to provide more conclusive evidence. © 2016 The Author(s) Published by S. Karger AG, Basel.

Overview of the PCDD/Fs degradation potential and formation risk in the application of advanced oxidation processes (AOPs) to wastewater treatment.

PubMed

Vallejo, Marta; Fresnedo San Román, M; Ortiz, Inmaculada; Irabien, Angel

2015-01-01

Polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) are a family of unintentionally produced persistent organic pollutants (POPs) that have received considerable public and scientific attention due to the toxicity of some of their congeners, more specifically those with chlorine substitution in the 2,3,7,8 positions. The environmental management and control of PCDD/Fs is addressed at a global level through the Stockholm Convention that establishes that POPs should be destroyed or irreversibly transformed in order to reduce or eliminate their release to the environment. Several technologies, including advanced oxidation processes (AOPs) such as photolysis, photocatalysis and Fenton oxidation, have been considered as effective methods for destroying PCDD/Fs in polluted waters. Nevertheless, during the remediation of wastewaters it is critical that the treatment technologies applied do not lead to the formation of by-products that are themselves POPs, especially if PCDD/Fs precursors or chlorine are present in the reaction medium. Despite the high effectiveness of AOPs in the oxidation of major contaminants, scarce references deal with the monitoring of PCDD/Fs in the course of the oxidation process, revealing that a detailed assessment of non-combustion technologies with respect to PCDD/Fs formation is still lacking. This study reports a review of the state of the art related to the potential remediation and/or formation of PCDD/Fs as a result of the application of AOPs for the treatment of polluted waters, warning on the correct selection of the operating conditions. Copyright © 2014 Elsevier Ltd. All rights reserved.

Developing and applying the adverse outcome pathway concept for understanding and predicting neurotoxicity

PubMed Central

Bal-Price, Anna; Lein, Pamela J.; Keil, Kimberly P.; Sethi, Sunjay; Shafer, Timothy; Barenys, Marta; Fritsche, Ellen; Sachana, Magdalini; Meek, M.E. (Bette)

2016-01-01

The Adverse Outcome Pathway (AOP) concept has recently been proposed to support a paradigm shift in regulatory toxicology testing and risk assessment. This concept is similar to the Mode of Action (MOA), in that it describes a sequence of measurable key events triggered by a molecular initiating event in which a stressor interacts with a biological target. The resulting cascade of key events includes molecular, cellular, structural and functional changes in biological systems, resulting in a measurable adverse outcome. Thereby, an AOP ideally provides information relevant to chemical structure-activity relationships as a basis for predicting effects of structurally similar compounds. AOPs could potentially also form the basis for qualitative and quantitative predictive modeling of the human adverse outcome resulting from molecular initiating or other key events for which higher-throughput testing methods are available or can be developed. A variety of cellular and molecular processes are known to be critical for normal function of the central (CNS) and peripheral nervous systems (PNS). Because of the biological and functional complexity of the CNS and PNS, it has been challenging to establish causative links and quantitative relationships between key events that comprise the pathways leading from chemical exposure to an adverse outcome in the nervous system. Following introduction of the principles of MOA and AOPs, examples of potential or putative adverse outcome pathways specific for developmental or adult neurotoxicity are summarized and aspects of their assessment considered. Their possible application in developing mechanistically informed Integrated Approaches to Testing and Assessment (IATA) is also discussed. PMID:27212452

Pathway-based predictive approaches for non-animal assessment of acute inhalation toxicity.

PubMed

Clippinger, Amy J; Allen, David; Behrsing, Holger; BéruBé, Kelly A; Bolger, Michael B; Casey, Warren; DeLorme, Michael; Gaça, Marianna; Gehen, Sean C; Glover, Kyle; Hayden, Patrick; Hinderliter, Paul; Hotchkiss, Jon A; Iskandar, Anita; Keyser, Brian; Luettich, Karsta; Ma-Hock, Lan; Maione, Anna G; Makena, Patrudu; Melbourne, Jodie; Milchak, Lawrence; Ng, Sheung P; Paini, Alicia; Page, Kathryn; Patlewicz, Grace; Prieto, Pilar; Raabe, Hans; Reinke, Emily N; Roper, Clive; Rose, Jane; Sharma, Monita; Spoo, Wayne; Thorne, Peter S; Wilson, Daniel M; Jarabek, Annie M

2018-06-20

New approaches are needed to assess the effects of inhaled substances on human health. These approaches will be based on mechanisms of toxicity, an understanding of dosimetry, and the use of in silico modeling and in vitro test methods. In order to accelerate wider implementation of such approaches, development of adverse outcome pathways (AOPs) can help identify and address gaps in our understanding of relevant parameters for model input and mechanisms, and optimize non-animal approaches that can be used to investigate key events of toxicity. This paper describes the AOPs and the toolbox of in vitro and in silico models that can be used to assess the key events leading to toxicity following inhalation exposure. Because the optimal testing strategy will vary depending on the substance of interest, here we present a decision tree approach to identify an appropriate non-animal integrated testing strategy that incorporates consideration of a substance's physicochemical properties, relevant mechanisms of toxicity, and available in silico models and in vitro test methods. This decision tree can facilitate standardization of the testing approaches. Case study examples are presented to provide a basis for proof-of-concept testing to illustrate the utility of non-animal approaches to inform hazard identification and risk assessment of humans exposed to inhaled substances. Copyright © 2018 The Author(s). Published by Elsevier Ltd.. All rights reserved.

Microwave enhanced oxidation treatment of organic fertilizers.

PubMed

More, Abhilasha; Srinivasan, Asha; Liao, Ping Huang; Lo, Kwang Victor

2017-08-01

Liquid organic fertilizers (LOFs) are relatively easier to degrade than those of solid organic fertilizers, and the nutrients are readily available for plant uptake. Microwave enhanced advanced oxidation treatment (MW/H 2 O 2 -AOP) was used to convert solid organic fertilizers (insoluble blood meal, bone meal, feather meal, sunflower ash and a mixture) into LOF. After the MW/H 2 O 2 -AOP treatment, high soluble nitrogen (11-29%), soluble phosphorus (64%) and potassium (92%), as well as low total suspended solids content could be obtained. The resulting LOF would make the nutrients more bioavailable, and would provide some of them for the plant uptake immediately. Temperature and hydrogen peroxide dosage were found to be significant factors affecting nitrogen release from blood meal and feather meal, while temperature and pH were found to be significant factors for solubilizing phosphorus and potassium from bone meal and ash, respectively. The MW/H 2 O 2 -AOP reduced suspended solids, and released nutrients into solution; therefore, it was an effective treatment method to make LOFs. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Digital all-sky polarization imaging of partly cloudy skies.

PubMed

Pust, Nathan J; Shaw, Joseph A

2008-12-01

Clouds reduce the degree of linear polarization (DOLP) of skylight relative to that of a clear sky. Even thin subvisual clouds in the "twilight zone" between clouds and aerosols produce a drop in skylight DOLP long before clouds become visible in the sky. In contrast, the angle of polarization (AOP) of light scattered by a cloud in a partly cloudy sky remains the same as in the clear sky for most cases. In unique instances, though, select clouds display AOP signatures that are oriented 90 degrees from the clear-sky AOP. For these clouds, scattered light oriented parallel to the scattering plane dominates the perpendicularly polarized Rayleigh-scattered light between the instrument and the cloud. For liquid clouds, this effect may assist cloud particle size identification because it occurs only over a relatively limited range of particle radii that will scatter parallel polarized light. Images are shown from a digital all-sky-polarization imager to illustrate these effects. Images are also shown that provide validation of previously published theories for weak (approximately 2%) polarization parallel to the scattering plane for a 22 degrees halo.

Solar energy for wastewater treatment: review of international technologies and their applicability in Brazil.

PubMed

Marcelino, R B P; Queiroz, M T A; Amorim, C C; Leão, M M D; Brites-Nóbrega, F F

2015-01-01

Several studies have reported the adverse effects of recalcitrant compounds and emerging contaminants present in industrial effluents, which are not degradable by ordinary biological treatment. Many of these compounds are likely to accumulate in living organisms through the lipid layer. At concentrations above the limits of biological tolerance, these compounds can be harmful to the ecosystem and may even reach humans through food chain biomagnification. In this regard, advanced oxidation processes (AOPs) represent an effective alternative for the removal of the pollutants. This study focused on the AOP involving the use of ultraviolet radiation in homogeneous and heterogeneous systems. Based on the literature review, comparisons between natural and artificial light were established, approaching photoreactors constructive and operational characteristics. We concluded that the high availability of solar power in Brazil would make the implementation of the AOP using natural solar radiation for the decontamination of effluents feasible, thereby contributing to clean production and biodiversity conservation. This will serve as an important tool for the enforcement of environmental responsibility among public and private institutions.

Artery of Percheron: an unusual stroke presentation.

PubMed

Pitts-Tucker, Toby; Small, Jeremy

2018-03-28

An 86-year-old woman was admitted with multiple episodes of transient loss of consciousness. She was initially treated for seizures, and stroke was not considered likely. MRI on the same day of admission showed acute bilateral medial thalamic infarcts in keeping with the Artery of Percheron (AOP) territory infarcts. Investigation for polycythaemia and thrombocytosis showed JAK2 positive myeloproliferative neoplasm.A diagnosis of AOP infarction is often missed or delayed because it is rare and presents with variable neurological symptoms. Initial imaging in the form of CT is often negative, and some report that initial MRI findings may also be normal.An awareness of a wide range of differential diagnoses alongside a multi-modality imaging approach is required to reach a diagnosis.Although there are several other case reports of AOP infarction in the literature, this is the first to present with transient symptoms initially mistaken for seizure activity. © BMJ Publishing Group Ltd (unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Comparison of various advanced oxidation processes used in remediation of industrial wastewater laden with recalcitrant pollutants

NASA Astrophysics Data System (ADS)

Krishnan, S.; Rawindran, H.; Sinnathambi, C. M.; Lim, J. W.

2017-06-01

Due to the scarcity of water, it has become a necessity to improve the quality of wastewater that is discharged into the environment. Conventional wastewater treatment can be either a physical, chemical, and/or biological processes, or in some cases a combination of these operations. The main purpose of wastewater treatment is to eliminate nutrients, solids, and organic compounds from effluents. Current wastewater treatment technologies are deemed ineffective in the complete removal of pollutants, particularly organic matter. In many cases, these organic compounds are resistant to conventional treatment methods, thus creating the necessity for tertiary treatment. Advanced oxidation process (AOP), constitutes as a promising treatment technology for the management of wastewater. AOPs are characterised by a common chemical feature, where they utilize the highly reactive hydroxyl radicals for achieving complete mineralization of the organic pollutants into carbon dioxide and water. This paper delineates advanced oxidation processes currently used for the remediation of water and wastewater. It also provides the cost estimation of installing and running an AOP system. The costs are separated into three categories: capital, operational, and operating & maintenance.

Assessing the impact of nano- and micro-scale zerovalent iron particles on soil microbial activities: particle reactivity interferes with assay conditions and interpretation of genuine microbial effects.

PubMed

Cullen, Laurence G; Tilston, Emma L; Mitchell, Geoff R; Collins, Chris D; Shaw, Liz J

2011-03-01

The effects of nano-scale and micro-scale zerovalent iron (nZVI and mZVI) particles on general (dehydrogenase and hydrolase) and specific (ammonia oxidation potential, AOP) activities mediated by the microbial community in an uncontaminated soil were examined. nZVI (diameter 12.5 nm; 10 mg g⁻¹ soil) apparently inhibited AOP and nZVI and mZVI apparently stimulated dehydrogenase activity but had minimal influence on hydrolase activity. Sterile experiments revealed that the apparent inhibition of AOP could not be interpreted as such due to the confounding action of the particles, whereas, the nZVI-enhanced dehydrogenase activity could represent the genuine response of a stimulated microbial population or an artifact of ZVI reactivity. Overall, there was no evidence for negative effects of nZVI or mZVI on the processes studied. When examining the impact of redox active particles such as ZVI on microbial oxidation-reduction reactions, potential confounding effects of the test particles on assay conditions should be considered. Copyright © 2010 Elsevier Ltd. All rights reserved.

Identifying Candidate Chemical-Disease Linkages ...

EPA Pesticide Factsheets

Presentation at meeting on Environmental and Epigenetic Determinants of IBD in New York, NY on identifying candidate chemical-disease linkages by using AOPs to identify molecular initiating events and using relevant high throughput assays to screen for candidate chemicals. This hazard information is combined with exposure models to inform risk assessment. Presentation at meeting on Environmental and Epigenetic Determinants of IBD in New York, NY on identifying candidate chemical-disease linkages by using AOPs to identify molecular initiating events and using relevant high throughput assays to screen for candidate chemicals. This hazard information is combined with exposure models to inform risk assessment.

Gene expression in Pseudomonas aeruginosa exposed to hydroxyl-radicals.

PubMed

Aharoni, Noa; Mamane, Hadas; Biran, Dvora; Lakretz, Anat; Ron, Eliora Z

2018-05-01

Recent studies have shown the efficiency of hydroxyl radicals generated via ultraviolet (UV)-based advanced oxidation processes (AOPs) combined with hydrogen peroxide (UV/H 2 O 2 ) as a treatment process in water. The effects of AOP treatments on bacterial gene expression was examined using Pseudomonas aeruginosa strain PAO1 as a model-organism bacterium. Many bacterial genes are not expressed all the time, but their expression is regulated. The regulation is at the beginning of the gene, in a genetic region called "promoter" and affects the level of transcription (synthesis of messenger RNA) and translation (synthesis of protein). The level of expression of the regulated genes can change as a function of environmental conditions, and they can be expressed more (induced, upregulated) or less (downregulated). Exposure of strain PAO1 to UV/H 2 O 2 treatment resulted in a major change in gene expression, including elevated expression of several genes. One interesting gene is PA3237, which was significantly upregulated under UV/H 2 O 2 as compared to UV or H 2 O 2 treatments alone. The induction of this gene is probably due to formation of radicals, as it is abolished in the presence of the radical scavenger tert-butanol (TBA) and is seen even when the bacteria are added after the treatment (post-treatment exposure). Upregulation of the PA3237 promoter could also be detected using a reporter gene, suggesting the use of such genetic constructs to develop biosensors for monitoring AOPs in water-treatment plants. Currently biosensors for AOPs do not exist, consequently impairing the ability to monitor these processes on-line according to radical exposure in natural waters. Copyright © 2018 Elsevier Ltd. All rights reserved.

Defining and Modeling Known Adverse Outcome Pathways: Domoic Acid and Neuronal Signaling as a Case Study

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

Watanabe, Karen H.; Andersen, Melvin E.; Basu, Nil

2011-01-01

An adverse outcome pathway (AOP) is a sequence of key events from a molecular-level initiating event and an ensuing cascade of steps to an adverse outcome with population level significance. To implement a predictive strategy for ecotoxicology, the multiscale nature of an AOP requires computational models to link salient processes (e.g., in chemical uptake, toxicokinetics, toxicodynamics, and population dynamics). A case study with domoic acid was used to demonstrate strategies and enable generic recommendations for developing computational models in an effort to move toward a toxicity testing paradigm focused on toxicity pathway perturbations applicable to ecological risk assessment. Domoic acid,more » an algal toxin with adverse effects on both wildlife and humans, is a potent agonist for kainate receptors (ionotropic glutamate receptors whose activation leads to the influx of Na+ and Ca2+). Increased Ca2+ concentrations result in neuronal excitotoxicity and cell death primarily in the hippocampus, which produces seizures, impairs learning and memory, and alters behavior in some species. Altered neuronal Ca2+ is a key process in domoic acid toxicity which can be evaluated in vitro. Further, results of these assays would be amenable to mechanistic modeling for identifying domoic acid concentrations and Ca2+ perturbations that are normal, adaptive, or clearly toxic. In vitro assays with outputs amenable to measurement in exposed populations can link in vitro to in vivo conditions, and toxicokinetic information will aid in linking in vitro results to the individual organism. Development of an AOP required an iterative process with three important outcomes: (1) a critically reviewed, stressor-specific AOP; (2) identification of key processes suitable for evaluation with in vitro assays; and (3) strategies for model development.« less

The "postcode lottery" for the surgical correction of gynaecomastia in NHS England.

PubMed

Stevens, Roger J G; Stevens, Samantha G; Rusby, Jennifer E

2015-10-01

Action On Plastic Surgery (AOPS) criteria for funding of gynaecomastia surgery are: the patient should be post-pubertal, have a BMI ≤ 25 kg/m(2), endocrine and drug causes and breast cancer should be excluded and the patient should demonstrate psychological distress. We evaluated how NHS funding for gynaecomastia surgery varies between Clinical Commissioning Groups (CCGs) in England and whether there is a "postcode lottery". The gynaecomastia surgery policies for 211 CCGs in NHS England were reviewed against the AOPS criteria and grouped according to their funding policies: group 1 (if criteria met, funding approved); group 2, (if criteria met, prior approval required); group 3 (no criteria, individual funding request only) and group 4 (no funding). Policies were available for all CCGs. Fifty-nine (28.0%) CCGs were in group 1, 87 (41.2%) in group 2, 44 (20.9%) in group 3 and 21 (10.0%) in group 4. Of those in groups 1 and 2, five (3.4%) CCGs used all six AOPS criteria. Approximately 70% CCGs with criteria (in groups 1 and 2) stipulated that the patient should be post-pubertal, have a BMI ≤ 25 kg/m(2) and endocrine and drug causes should be excluded. Breast cancer should be excluded in 51.4% and the patient should show psychological distress in 13.7% CCGs. Of those in groups 1 and 2, 118 (80.8%) CCGs specified additional criteria. CCGs do not use the AOPS criteria uniformly and restrict surgery according to their own criteria. Overall, there is a "postcode lottery" for gynaecomastia surgery within NHS England. Copyright © 2015 IJS Publishing Group Limited. Published by Elsevier Ltd. All rights reserved.

The Role of Omics in the Application of Adverse Outcome Pathways for Chemical Risk Assessment.

PubMed

Brockmeier, Erica K; Hodges, Geoff; Hutchinson, Thomas H; Butler, Emma; Hecker, Markus; Tollefsen, Knut Erik; Garcia-Reyero, Natalia; Kille, Peter; Becker, Dörthe; Chipman, Kevin; Colbourne, John; Collette, Timothy W; Cossins, Andrew; Cronin, Mark; Graystock, Peter; Gutsell, Steve; Knapen, Dries; Katsiadaki, Ioanna; Lange, Anke; Marshall, Stuart; Owen, Stewart F; Perkins, Edward J; Plaistow, Stewart; Schroeder, Anthony; Taylor, Daisy; Viant, Mark; Ankley, Gerald; Falciani, Francesco

2017-08-01

In conjunction with the second International Environmental Omics Symposium (iEOS) conference, held at the University of Liverpool (United Kingdom) in September 2014, a workshop was held to bring together experts in toxicology and regulatory science from academia, government and industry. The purpose of the workshop was to review the specific roles that high-content omics datasets (eg, transcriptomics, metabolomics, lipidomics, and proteomics) can hold within the adverse outcome pathway (AOP) framework for supporting ecological and human health risk assessments. In light of the growing number of examples of the application of omics data in the context of ecological risk assessment, we considered how omics datasets might continue to support the AOP framework. In particular, the role of omics in identifying potential AOP molecular initiating events and providing supportive evidence of key events at different levels of biological organization and across taxonomic groups was discussed. Areas with potential for short and medium-term breakthroughs were also discussed, such as providing mechanistic evidence to support chemical read-across, providing weight of evidence information for mode of action assignment, understanding biological networks, and developing robust extrapolations of species-sensitivity. Key challenges that need to be addressed were considered, including the need for a cohesive approach towards experimental design, the lack of a mutually agreed framework to quantitatively link genes and pathways to key events, and the need for better interpretation of chemically induced changes at the molecular level. This article was developed to provide an overview of ecological risk assessment process and a perspective on how high content molecular-level datasets can support the future of assessment procedures through the AOP framework. © The Author 2017. Published by Oxford University Press on behalf of the Society of Toxicology.

Light-Assisted Advanced Oxidation Processes for the Elimination of Chemical and Microbiological Pollution of Wastewaters in Developed and Developing Countries.

PubMed

Giannakis, Stefanos; Rtimi, Sami; Pulgarin, Cesar

2017-06-26

In this work, the issue of hospital and urban wastewater treatment is studied in two different contexts, in Switzerland and in developing countries (Ivory Coast and Colombia). For this purpose, the treatment of municipal wastewater effluents is studied, simulating the developed countries' context, while cheap and sustainable solutions are proposed for the developing countries, to form a barrier between effluents and receiving water bodies. In order to propose proper methods for each case, the characteristics of the matrices and the targets are described here in detail. In both contexts, the use of Advanced Oxidation Processes (AOPs) is implemented, focusing on UV-based and solar-supported ones, in the respective target areas. A list of emerging contaminants and bacteria are firstly studied to provide operational and engineering details on their removal by AOPs. Fundamental mechanistic insights are also provided on the degradation of the effluent wastewater organic matter. The use of viruses and yeasts as potential model pathogens is also accounted for, treated by the photo-Fenton process. In addition, two pharmaceutically active compound (PhAC) models of hospital and/or industrial origin are studied in wastewater and urine, treated by all accounted AOPs, as a proposed method to effectively control concentrated point-source pollution from hospital wastewaters. Their elimination was modeled and the degradation pathway was elucidated by the use of state-of-the-art analytical techniques. In conclusion, the use of light-supported AOPs was proven to be effective in degrading the respective target and further insights were provided by each application, which could facilitate their divulgation and potential application in the field.

The Role of Omics in the Application of Adverse Outcome Pathways for Chemical Risk Assessment

PubMed Central

Brockmeier, Erica K.; Hodges, Geoff; Hutchinson, Thomas H.; Butler, Emma; Hecker, Markus; Tollefsen, Knut Erik; Garcia-Reyero, Natalia; Kille, Peter; Becker, Dörthe; Chipman, Kevin; Colbourne, John; Collette, Timothy W.; Cossins, Andrew; Cronin, Mark; Graystock, Peter; Gutsell, Steve; Knapen, Dries; Katsiadaki, Ioanna; Lange, Anke; Marshall, Stuart; Owen, Stewart F.; Perkins, Edward J.; Plaistow, Stewart; Schroeder, Anthony; Taylor, Daisy; Viant, Mark; Ankley, Gerald; Falciani, Francesco

2017-01-01

Abstract In conjunction with the second International Environmental Omics Symposium (iEOS) conference, held at the University of Liverpool (United Kingdom) in September 2014, a workshop was held to bring together experts in toxicology and regulatory science from academia, government and industry. The purpose of the workshop was to review the specific roles that high-content omics datasets (eg, transcriptomics, metabolomics, lipidomics, and proteomics) can hold within the adverse outcome pathway (AOP) framework for supporting ecological and human health risk assessments. In light of the growing number of examples of the application of omics data in the context of ecological risk assessment, we considered how omics datasets might continue to support the AOP framework. In particular, the role of omics in identifying potential AOP molecular initiating events and providing supportive evidence of key events at different levels of biological organization and across taxonomic groups was discussed. Areas with potential for short and medium-term breakthroughs were also discussed, such as providing mechanistic evidence to support chemical read-across, providing weight of evidence information for mode of action assignment, understanding biological networks, and developing robust extrapolations of species-sensitivity. Key challenges that need to be addressed were considered, including the need for a cohesive approach towards experimental design, the lack of a mutually agreed framework to quantitatively link genes and pathways to key events, and the need for better interpretation of chemically induced changes at the molecular level. This article was developed to provide an overview of ecological risk assessment process and a perspective on how high content molecular-level datasets can support the future of assessment procedures through the AOP framework. PMID:28525648

Persistent anterograde amnesia due to the artery of Percheron occlusion: a case report.

PubMed

Ince, Birsen; Asan, Furkan

2018-04-01

Bilateral thalamic infarction involving the artery of Percheron (AOP) can cause diagnostic difficulties due to the varying clinical presentations. AOP infarcts presented with isolated memory impairment are not common and the factors affecting the persistence of memory disorders are still unknown. A 41-year-old male patient was hospitalized with acute unconsciousness. MRI disclosed bilateral paramedian thalamic infarction The patient had isolated memory deficit and his anterograde amnesia continued without any change in the past decade. More cases might answer the questions concerning the intra- and extra-thalamic structures responsible for the amnesic syndrome and the factors affecting the persistence of the symptoms.

Surface XPS characterization of NiTi shape memory alloy after advanced oxidation processes in UV/H 2O 2 photocatalytic system

NASA Astrophysics Data System (ADS)

Wang, R. M.; Chu, C. L.; Hu, T.; Dong, Y. S.; Guo, C.; Sheng, X. B.; Lin, P. H.; Chung, C. Y.; Chu, P. K.

2007-08-01

Surface structure of NiTi shape memory alloy (SMA) was modified by advanced oxidation processes (AOP) in an ultraviolet (UV)/H 2O 2 photocatalytic system, and then systematically characterized with x-ray photoelectron spectroscopy (XPS). It is found that the AOP in UV/H 2O 2 photocatalytic system leads to formation of titanium oxides film on NiTi substrate. Depth profiles of O, Ni and Ti show such a film possesses a graded interface structure to NiTi substrate and there is no intermediate Ni-rich layer like that produced in conventional high temperature oxidation. Except TiO 2 phase, some titanium suboxides (TiO, Ti 2O 3) may also exist in the titanium oxides film. Oxygen mainly presents in metal oxides and some chemisorbed water and OH - are found in titanium oxides film. Ni nearly reaches zero on the upper surface and relatively depleted in the whole titanium oxides film. The work indicates the AOP in UV/H 2O 2 photocatalytic system is a promising way to favor the widespread application of biomedical NiTi SMA by improving its biocompatibility.

Treatment of persistent organic pollutants in wastewater using hydrodynamic cavitation in synergy with advanced oxidation process.

PubMed

Badmus, Kassim Olasunkanmi; Tijani, Jimoh Oladejo; Massima, Emile; Petrik, Leslie

2018-03-01

Persistent organic pollutants (POPs) are very tenacious wastewater contaminants. The consequences of their existence have been acknowledged for negatively affecting the ecosystem with specific impact upon endocrine disruption and hormonal diseases in humans. Their recalcitrance and circumvention of nearly all the known wastewater treatment procedures are also well documented. The reported successes of POPs treatment using various advanced technologies are not without setbacks such as low degradation efficiency, generation of toxic intermediates, massive sludge production, and high energy expenditure and operational cost. However, advanced oxidation processes (AOPs) have recently recorded successes in the treatment of POPs in wastewater. AOPs are technologies which involve the generation of OH radicals for the purpose of oxidising recalcitrant organic contaminants to their inert end products. This review provides information on the existence of POPs and their effects on humans. Besides, the merits and demerits of various advanced treatment technologies as well as the synergistic efficiency of combined AOPs in the treatment of wastewater containing POPs was reported. A concise review of recently published studies on successful treatment of POPs in wastewater using hydrodynamic cavitation technology in combination with other advanced oxidation processes is presented with the highlight of direction for future research focus.

Combined approaches using adverse outcome pathways and big data to find potential diseases associated with humidifier disinfectant

PubMed Central

2017-01-01

According to previous survey, about two million of people were expected to suffer from toxic effects due to humidifier disinfectant (HD), regardless of healing or not. Extremely small group are recognized as HDs’ victims. Up to now, previous research tried to focus on interstitial fibrosis on terminal bronchiole because it is specific finding, compared with other diseases. To figure out overall effects from HDs, we recommend adverse outcome pathways (AOPs) as new approach. Reactive oxygen species (ROS) generation, decreased T-cell and pro-inflammatory cytokine release from macrophage could be key events between the exposure to HDs and diseases. ROS generation, decreased cell and pro-inflammatory cytokine release from macrophage could be cause of interstitial fibrosis, pneumonia and many other diseases such as asthma, allergic rhinitis, allergic dermatitis, fetal death, premature baby, autoimmune disease, hepatic toxicity, renal toxicity, cancer, and so on. We predict potential disease candidate by AOPs. We can validate the real risk of the adverse outcome by epidemiologic and toxicologic study using big data such as National Health Insurance data and AOPs knowledge base. Application of these kinds of new methods can find the potential disease list from the exposure to HD. PMID:28111421

Removing Fats, Oils and Greases from Grease Trap by Hybrid AOPs (Ozonation and Sonication)

NASA Astrophysics Data System (ADS)

Kwiatkowski, Michal Piotr; Satoh, Saburoh; Yamabe, Chobei; Ihara, Satoshi; Nieda, Masanori

The purpose of this study was to investigate the electrical energy for the environmental applications using AOPs (advanced oxidation processes) combined with ozonation and sonication to remove the FOG (fats, oils and greases) from wastewater of the sewage system. This study focused on FOG removal from a grease trap using the hybrid AOPs. Fatty acids (linoleic, oleic, stearic and palmitic acids) were used as representative standards of FOG. The studies were conducted experimentally in a glass reactor under various operational conditions. The oxidation efficiency using the combination of the ozonation and sonication was determined by the KI dosimetry method and the calorimetry method. Fatty acids concentration were measured by GC/MS. The local reaction field of the high temperature and high pressure, so-called hot spot, was generated by the quasi-adiabatic collapse of bubbles produced in the water under sonication, which is called cavitation phenomenon. Mixing the ozone bubbles into the water under acoustic cavitation, the formation of OH radicals increased. The mechanical effect of acoustic cavitation such as microstreaming and shock waves have an influence on the probability of reactions of ozone and radicals with fatty acids.

Combined approaches using adverse outcome pathways and big data to find potential diseases associated with humidifier disinfectant.

PubMed

Leem, Jong-Han; Chung, Kyu Hyuck

2016-01-01

According to previous survey, about two million of people were expected to suffer from toxic effects due to humidifier disinfectant (HD), regardless of healing or not. Extremely small group are recognized as HDs' victims. Up to now, previous research tried to focus on interstitial fibrosis on terminal bronchiole because it is specific finding, compared with other diseases. To figure out overall effects from HDs, we recommend adverse outcome pathways (AOPs) as new approach. Reactive oxygen species (ROS) generation, decreased T-cell and pro-inflammatory cytokine release from macrophage could be key events between the exposure to HDs and diseases. ROS generation, decreased cell and pro-inflammatory cytokine release from macrophage could be cause of interstitial fibrosis, pneumonia and many other diseases such as asthma, allergic rhinitis, allergic dermatitis, fetal death, premature baby, autoimmune disease, hepatic toxicity, renal toxicity, cancer, and so on. We predict potential disease candidate by AOPs. We can validate the real risk of the adverse outcome by epidemiologic and toxicologic study using big data such as National Health Insurance data and AOPs knowledge base. Application of these kinds of new methods can find the potential disease list from the exposure to HD.

A comparative study of different tests for biodegradability enhancement determination during AOP treatment of recalcitrant toxic aqueous solutions.

PubMed

Ballesteros Martín, M M; Casas López, J L; Oller, I; Malato, S; Sánchez Pérez, J A

2010-09-01

Four biodegradability tests (Pseudomonas putida bioassay, Zahn-Wellens test, BOD5/COD ratio and respirometry assay) have been used to determine the biodegradability enhancement during the treatment of wastewater containing 200 mg L(-1) of dissolved organic carbon (DOC) of a five commercial pesticides mixture (Vydate, Metomur, Couraze, Ditumur and Scala) by an advanced oxidation process (AOP). A comparative study was carried out taking into account repeatability and precision of each biodegradability test. Solar photo-Fenton was the AOP selected for pesticide degradation up to three levels of mineralization: 20%, 40% and 60% of initial DOC. Intra- and interday precisions were evaluated conducting each biodegradability test by triplicate and they were applied three times on different dates over a period of three months. Fisher's least significant difference method was applied to the means, P. putida and Zahn-Wellens tests giving higher repeatability and precision. The P. putida test requires a shorter time to obtain reliable results using a standardized inoculum and constitutes a worthwhile alternative to estimate biodegradability in contrast to other less accurate or more time consuming methods. Copyright (c) 2010 Elsevier Inc. All rights reserved.

Intra and interobserver variability of intrapartum transperineal ultrasound measurements with contraction and pushing.

PubMed

Sainz, José A; Fernández-Palacín, Ana; Borrero, Carlota; Aquise, Adriana; Ramos, Zenaida; García-Mejido, José A

2018-04-01

The aim of this study was to evaluate the inter- and intraobserver correlation of the different intrapartum-transperineal-ultrasound-parameters(ITU) (angle of progression (AoP), progression-distance (PD), head-direction (HD), midline-angle (MLA) and head-perineum distance (HPD)) with contraction and pushing. We evaluated 28 nulliparous women at full dilatation under epidural analgesia. We performed a transperineal ultrasound evaluating AoP and PD in the longitudinal plane, and MLA and HPD in the transverse plane. Interclass correlation coefficients (ICC) with 95% CIs and Bland-Altman analysis were used to assess intra- and interobserver measurement's repeatability. The ICC of the ITU for the same observer was adequate for all the parameters (p < .005) AoP 0.98 (95%CI, 0.96-0.99), PD 0.98 (95%CI, 0.97-0.99), MLA 0.99 (95%CI, 0.97-0.99), HPD 0.96 (95%CI, 0.88-0.99). The ICC of the ITU for interobserver was: AoP 0.93 (95%CI, 0.79-0.98), PD 0.92 (95%CI, 0.76-0.97), MLA 0.77 (95%CI, 0.42-0.92), HPD 0.47 (95%CI, -0.12-0.8). The HD had an interobserver correlation of 0.53 (95%CI, 0.1-0.9) (Kappa C). The mean difference of the AoP was 2.42°, of the PD 1 mm and 0.28° MLA (Bland-Altman test). ITU has an adequate intra- and interobserver correlation for its use with contraction and pushing under epidural analgesia. Impact statement What is already known on this subject: The intrapartum transperineal ultrasound parameters can be used with contraction and pushing under epidural analgesia. What the results of this study add to what we know: ITU may be used to evaluate the difficulty of instrumental delivery/to evaluate the difficulty of instrumentation in vaginal operative deliveries and this study concludes that ITU is reproducible during uterine contraction with pushing. What the implications are of these findings for clinical practice and/or further research: Therefore, ITU could be used without difficulty with an adequate intra- and interobserver correlation for the prediction of instrumentation difficulty in operative vaginal deliveries.

Zooplankton sensitivity and phytoplankton regrowth for ballast water treatment with advanced oxidation processes.

PubMed

García-Garay, Juan; Franco-Herrera, Andrés; Machuca-Martinez, Fiderman

2018-05-26

The ballasting and de-ballasting of ships are two necessary operations with ballast water that provide stability for safe navigation. Empty ships must ballast tanks with water, which contains living organisms and subsequently carries them away from their original distribution. De-ballasting represents an input of still viable zooplankton, phytoplankton, and microorganisms in the destination port, leading to the introduction of alien species, and consequently, the introduction of organisms will alter the local biodiversity. Ballast water treatment is necessary to comply with the International Maritime Organization (IMO) for the maximum viable organisms permitted. It is known that UVC eliminates microorganisms, but there are few studies on the other taxonomical groups, such as phytoplankton and zooplankton. The advance oxidation processes (AOPs) with UV-C can be a good alternative to manage the problem of ballast water, primarily for microorganisms. However, for larger organisms, there is more resistance, and, a stage with filtration (by physical filtration or hydrocyclone) is usually required. The filter can fail, or certain zooplankton organisms can escape across the filter and go to the AOPs or UVC reactor. According to the taxonomic group, there can be a different sensitivity to the treatment, and one could survive and generate a risk. The AOPs tested were natural solar radiation (RAD), UV/H 2 O 2 , UV/TiO 2 , UV/TiO 2 /H 2 O 2 , and UV/TiO 2 /H 2 O 2 /RAD. Natural sea water was pumped and treated with the AOPs. The vital zooplankton organisms counted were polychaetes, cladocerans, ostracods, nauplii and calanoid, cyclopoid, and harpacticoid copepods. For the phytoplankton, the abundance was estimated, and the photosystem II efficiency was determined. To evaluate the phytoplankton regrowth after the treatments, the treated water was stored and populations counted for 20 days. The most effective treatment for the zooplankton groups was UVC/H 2 O 2 . Regarding the sensitivity, the cyclopoid copepods were the most resistant. The nauplii and polychaetes were more likely to be killed by the AOPs, greatly decreasing the risk from nauplii due to their abundance and ease of passing through the filters with their smaller size. Phytoplankton regrowth was observed in all treatments, and it even reached abundance values higher than in the intake water. For instance, additional dark conditions and retreatment on days 3 or 5 are suggested for any treatment.

Aerosol Optical Properties Derived from the DRAGON-NE Asia Campaign, and Implications for a Single-Channel Algorithm to Retrieve Aerosol Optical Depth in Spring from Meteorological Imager (MI) On-Board the Communication, Ocean, and Meteorological Satellite (COMS)

NASA Technical Reports Server (NTRS)

Kim, M.; Kim, J.; Jeong, U.; Kim, W.; Hong, H.; Holben, B.; Eck, T. F.; Lim, J.; Song, C.; Lee, S.;

Average output polarization dataset for signifying the temperature influence for QCA designed reversible logic circuits.

PubMed

Abdullah-Al-Shafi, Md; Bahar, Ali Newaz; Bhuiyan, Mohammad Maksudur Rahman; Shamim, S M; Ahmed, Kawser

2018-08-01

Quantum-dot cellular automata (QCA) as nanotechnology is a pledging contestant that has incredible prospective to substitute complementary metal-oxide-semiconductor (CMOS) because of its superior structures such as intensely high device thickness, minimal power depletion with rapid operation momentum. In this study, the dataset of average output polarization (AOP) for fundamental reversible logic circuits is organized as presented in (Abdullah-Al-Shafi and Bahar, 2017; Bahar et al., 2016; Abdullah-Al-Shafi et al., 2015; Abdullah-Al-Shafi, 2016) [1-4]. QCADesigner version 2.0.3 has been utilized to survey the AOP of reversible circuits at separate temperature point in Kelvin (K) unit.

Adverse outcome pathways (AOPs) to enhance EDC ...

EPA Pesticide Factsheets

Screening and testing for endocrine active chemicals was mandated under 1996 amendments to the Safe Drinking Water Act and Food Quality Protection Act. Efficiencies can be gained in the endocrine disruptor screening program by using available biological and toxicological knowledge to facilitate greater use of high throughput screening data and other data sources to inform endocrine disruptor assessments. Likewise, existing knowledge, when properly organized, can help aid interpretation of test results. The adverse outcome pathway (AOP) framework, which organizes information concerning measureable changes that link initial biological interactions with a chemical to adverse effects that are meaningful to risk assessment and management, can aid this process. This presentation outlines the ways in which the AOP framework has already been employed to support EDSP and how it may further enhance endocrine disruptor assessments in the future. Screening and testing for endocrine active chemicals was mandated under 1996 amendments to the Safe Drinking Water Act and Food Quality Protection Act. Efficiencies can be gained in the endocrine disruptor screening program by using available biological and toxicological knowledge to facilitate greater use of high throughput screening data and other data sources to inform endocrine disruptor assessments. Likewise, existing knowledge, when properly organized, can help aid interpretation of test results. The adverse outcome pathway

DYNAMICS OF ACRIDINE ORANGE-CELL INTERACTION

PubMed Central

Robbins, Elliott; Marcus, Philip I.

1963-01-01

The in vitro localization of acridine orange (AO) in living cells was monitored by means of fluorescence microscopy, quantitative cell viability studies, and photofluorimetric measurements following dye-cell interaction. The parameters, pH, time, dye concentration, and the metabolic state of the cell were found to exert a profound influence on the time course and distribution of staining. The parameters studied are mutually interdependent, and intracellular dye localization may be predictably altered by their appropriate manipulation. Conditions are defined whereby two morphologically distinct but physiologically interrelated reactions, namely, acridine orange particle (AOP) formation and cytoplasmic reddening (CR) may be caused, prevented, reversed, or modified. These results are explained in terms of the facilitation or inhibition of an intracytoplasmic dye-segregating mechanism, in turn affected by the rate of dye ingress and the physiological state of the cell. Whereas the accumulation of AO in AOP is compatible with cell viability, the appearance of CR is correlated with cell death. It is pointed out that meaningful interpretation of vital staining requires precise regulation of many parameters in the extracellular milieu. A scheme of cell compartmentalization with respect to AO is proposed to satisfactorily account for the effects of environmental variations on the distribution and ultimate fate of intracellular dye. The AOP are viewed as normally present acid phosphatase-positive multivesicular bodies. PMID:14079487

Rapid Estimation of Tocopherol Content in Linseed and Sunflower Oils-Reactivity and Assay.

PubMed

Prevc, Tjaša; Levart, Alenka; Cigić, Irena Kralj; Salobir, Janez; Ulrih, Nataša Poklar; Cigić, Blaž

2015-08-13

The reactivity of tocopherols with 2,2-diphenyl-1-picrylhydrazyl (DPPH) was studied in model systems in order to establish a method for quantifying vitamin E in plant oils. The method was optimized with respect to solvent composition of the assay medium, which has a large influence on the course of reaction of tocopherols with DPPH. The rate of reaction of α-tocopherol with DPPH is higher than that of γ-tocopherol in both protic and aprotic solvents. In ethyl acetate, routinely applied for the analysis of antioxidant potential (AOP) of plant oils, reactions of tocopherols with DPPH are slower and concentration of tocopherols in the assay has a large influence on their molar reactivity. In 2-propanol, however, two electrons are exchanged for both α- and γ-tocopherols, independent of their concentration. 2-propanol is not toxic and is fully compatible with polypropylene labware. The chromatographically determined content of tocopherols and their molar reactivity in the DPPH assay reveal that only tocopherols contribute to the AOP of sunflower oil, whereas the contribution of tocopherols to the AOP of linseed oil is 75%. The DPPH assay in 2-propanol can be applied for rapid and cheap estimation of vitamin E content in plant oils where tocopherols are major antioxidants.

Ecdysone receptor agonism leading to lethal molting ...

EPA Pesticide Factsheets

Molting is a key biological process in growth, development, reproduction and survival in arthropods. Complex neuroendocrine pathways are involved in the regulation of molting and may potentially become targets of environmental endocrine disrupting compounds (EDCs). For example, several classes of pesticides used in agriculture and aquaculture specifically target key endocrine regulators of the molting process. These chemicals may also pose hazards to non-target species by causing molting defects, thus affecting the health of the ecosystems. The present review summarized the available knowledge on molting-related endocrine regulation and disruption in arthropods (with special focus on insects and crustaceans), in order to identify research gaps and develop a toxicity mechanism-based model for environmental hazard and risk assessment. Based on the review, multiple targets in the molting processes that EDCs can interact with were characterized to inform future studies. An adverse outcome pathway (AOP) describing ecdysone receptor agonism leading to incomplete ecdysis associated mortality was developed according to the OECD guideline and evaluated for weight of evidence using the Evolved Bradford Hill Criteria. This review proposed the first invertebrate endocrine disruption AOP and may serve as a knowledge foundation for future environmental studies and AOP development. Development of high throughput toxicology (HTT) programs (e.g., ToxCast, Tox21) and potential a

Life-Stage Physiologically-Based Pharmacokinetic (PBPK) ...

EPA Pesticide Factsheets

This presentation discusses methods used to extrapolate from in vitro high-throughput screening (HTS) toxicity data for an endocrine pathway to in vivo for early life stages in humans, and the use of a life stage PBPK model to address rapidly changing physiological parameters. Adverse outcome pathways (AOPs), in this case endocrine disruption during development, provide a biologically-based framework for linking molecular initiating events triggered by chemical exposures to key events leading to adverse outcomes. The application of AOPs to human health risk assessment requires extrapolation of in vitro HTS toxicity data to in vivo exposures (IVIVE) in humans, which can be achieved through the use of a PBPK/PD model. Exposure scenarios for chemicals in the PBPK/PD model will consider both placental and lactational transfer of chemicals, with a focus on age dependent dosimetry during fetal development and after birth for a nursing infant. This talk proposes a universal life-stage computational model that incorporates changing physiological parameters to link environmental exposures to in vitro levels of HTS assays related to a developmental toxicological AOP for vascular disruption. In vitro toxicity endpoints discussed are based on two mechanisms: 1) Fetal vascular disruption, and 2) Neurodevelopmental toxicity induced by altering thyroid hormone levels in neonates via inhibition of thyroperoxidase in the thyroid gland. Application of our Life-stage computati

Advanced oxidation process-biological system for wastewater containing a recalcitrant pollutant.

PubMed

Oller, I; Malato, S; Sánchez-Pérez, J A; Maldonado, M I; Gernjak, W; Pérez-Estrada, L A

2007-01-01

Two advanced oxidation processes (AOPs), ozonation and photo-Fenton, combined with a pilot aerobic biological reactor at field scale were employed for the treatment of industrial non-biodegradable saline wastewater (TOC around 200 mgL(-1)) containing a biorecalcitrant compound, alpha-methylphenylglycine (MPG), at a concentration of 500 mgL(-1). Ozonation experiments were performed in a 50-L reactor with constant inlet ozone of 21.9 g m(-3). Solar photo-Fenton tests were carried out in a 75-L pilot plant made up of four compound parabolic collector (CPC) units. The catalyst concentration employed in this system was 20 mgL(-1) of Fe2+ and the H2O2 concentration was kept in the range of 200-500mgL(-1). Complete degradation of MPG was attained after 1,020 min of ozone treatment, while only 195 min were required for photo-Fenton. Samples from different stages of both AOPs were taken for Zahn-Wellens biocompatibility tests. Biodegradability enhancement of the industrial saline wastewater was confirmed (>70% biodegradability). Biodegradable compounds generated during the preliminary oxidative processes were biologically mineralised in a 170-L aerobic immobilised biomass reactor (IBR). The global efficiency of both AOP/biological combined systems was 90% removal of an initial TOC of over 500 mgL(-1).

Costs of Limiting Route Optimization to Published Waypoints in the Traffic Aware Planner

NASA Technical Reports Server (NTRS)

Karr, David A.; Vivona, Robert A.; Wing, David J.

2013-01-01

The Traffic Aware Planner (TAP) is an airborne advisory tool that generates optimized, traffic-avoiding routes to support the aircraft crew in making strategic reroute requests to Air Traffic Control (ATC). TAP is derived from a research-prototype self-separation tool, the Autonomous Operations Planner (AOP), in which optimized route modifications that avoid conflicts with traffic and weather, using waypoints at explicit latitudes and longitudes (a technique supported by self-separation concepts), are generated by maneuver patterns applied to the existing route. For use in current-day operations in which trajectory changes must be requested from ATC via voice communication, TAP produces optimized routes described by advisories that use only published waypoints prior to a reconnection waypoint on the existing route. We describe how the relevant algorithms of AOP have been modified to implement this requirement. The modifications include techniques for finding appropriate published waypoints in a maneuver pattern and a method for combining the genetic algorithm of AOP with an exhaustive search of certain types of advisory. We demonstrate methods to investigate the increased computation required by these techniques and to estimate other costs (measured in terms such as time to destination and fuel burned) that may be incurred when only published waypoints are used.

Weight-of-evidence evaluation of an adverse outcome ...

EPA Pesticide Factsheets

Ongoing honey bee colony losses are of significant international concern because of the essential role these insects play in pollinating staple food crops. Chemical and non-chemical stressors both have been implicated as possible contributors to colony failure, however, the potential role of commonly-used neonicotinoid insecticides has emerged as particularly concerning. Neonicotinoids act on the nicotinic acetylcholine receptor (nAChR) to eliminate target pest insects, however, mounting evidence indicates that these chemicals may adversely affect beneficial pollinators, such as the honey bee, via impacts on learning and memory thereby affecting foraging success. However, the mechanisms linking activation of the nAChR to adverse effects on learning and memory are uncertain. Additionally, clear connections between observed impacts on individual bees and colony level effects are lacking. Therefore, the objective of this work was to develop adverse outcome pathways (AOPs) as a means to evaluate the biological plausibility and empirical evidence supporting (or refuting) the linkage between the nAChR and colony level impacts. Development of these AOPs has led to the identification of research gaps which, for example, may be of high priority in understanding how perturbation of pathways involved in neurotransmission can adversely affect honey bee health, causing colony instability and further failure. From this effort, an AOP network also was developed, laying the f

From the exposome to mechanistic understanding of chemical ...

EPA Pesticide Factsheets

BACKGROUND: Current definitions of the exposome expand beyond the initial idea to consider the totality of exposure and aim to relate to biological effects. While the exposome has been established for human health, its principles can be extended to include broader ecological issues. The assessment of exposure is tightly interlinked with hazard assessment. OBJECTIVES: We explore if mechanistic understanding of the causal links between exposure and adverse effects on human health and the environment can be improved by integrating the exposome approach with the adverse outcome pathway (AOP) concept - a framework to structure and organize the sequence of toxicological events from an initial molecular interaction of a chemical to an adverse outcome.METHODS: This review was informed by a Workshop organized by the Integrated Project EXPOSOME at the UFZ Helmholtz Centre for Environmental Research in Leipzig, Germany. DISCUSSION: The exposome encompasses all chemicals, including exogenous chemicals and endogenous compounds that are produced in response to external factors. By complementing the exposome research with the AOP concept, we can achieve a better mechanistic understanding, weigh the importance of various components of the exposome, and determine primary risk drivers. The ability to interpret multiple exposures and mixture effects at the mechanistic level requires a more holistic approach facilitated by the exposome concept.CONCLUSION: Incorporating the AOP conc

Functional Genomic Screening Approaches in Mechanistic Toxicology and Potential Future Applications of CRISPR-Cas9

PubMed Central

Shen, Hua; McHale, Cliona M.; Smith, Martyn T; Zhang, Luoping

2015-01-01

Characterizing variability in the extent and nature of responses to environmental exposures is a critical aspect of human health risk assessment. Chemical toxicants act by many different mechanisms, however, and the genes involved in adverse outcome pathways (AOPs) and AOP networks are not yet characterized. Functional genomic approaches can reveal both toxicity pathways and susceptibility genes, through knockdown or knockout of all non-essential genes in a cell of interest, and identification of genes associated with a toxicity phenotype following toxicant exposure. Screening approaches in yeast and human near-haploid leukemic KBM7 cells, have identified roles for genes and pathways involved in response to many toxicants but are limited by partial homology among yeast and human genes and limited relevance to normal diploid cells. RNA interference (RNAi) suppresses mRNA expression level but is limited by off-target effects (OTEs) and incomplete knockdown. The recently developed gene editing approach called clustered regularly interspaced short palindrome repeats-associated nuclease (CRISPR)-Cas9, can precisely knock-out most regions of the genome at the DNA level with fewer OTEs than RNAi, in multiple human cell types, thus overcoming the limitations of the other approaches. It has been used to identify genes involved in the response to chemical and microbial toxicants in several human cell types and could readily be extended to the systematic screening of large numbers of environmental chemicals. CRISPR-Cas9 can also repress and activate gene expression, including that of non-coding RNA, with near-saturation, thus offering the potential to more fully characterize AOPs and AOP networks. Finally, CRISPR-Cas9 can generate complex animal models in which to conduct preclinical toxicity testing at the level of individual genotypes or haplotypes. Therefore, CRISPR-Cas9 is a powerful and flexible functional genomic screening approach that can be harnessed to provide unprecedented mechanistic insight in the field of modern toxicology. PMID:26041264

Effect of matrix components on UV/H2O2 and UV/S2O8(2-) advanced oxidation processes for trace organic degradation in reverse osmosis brines from municipal wastewater reuse facilities.

PubMed

Yang, Yi; Pignatello, Joseph J; Ma, Jun; Mitch, William A

2016-02-01

When reverse osmosis brines from potable wastewater reuse plants are discharged to poorly-flushed estuaries, the concentrated organic contaminants are a concern for receiving water ecosystems. UV/hydrogen peroxide (UV/H2O2) and UV/persulfate (UV/S2O8(2-)) advanced oxidation processes (AOPs) may reduce contaminant burdens prior to discharge, but the effects of the high levels of halide, carbonate and effluent organic matter (EfOM) normally present in these brines are unclear. On the one hand, these substances may reduce process efficiency by scavenging reactive oxygen species (ROS), hydroxyl (OH) and sulfate (SO4(-) radicals. On the other, the daughter radicals generated by halide and carbonate scavenging may themselves degrade organics, offsetting the effect of ROS scavenging. UV/H2O2 and UV/S2O8(2-) AOPs were compared for degradation of five pharmaceuticals spiked into brines obtained from two reuse facilities and the RO influent from one of them. For UV/H2O2, EfOM scavenged ∼75% of the OH, reducing the degradation efficiency of the target contaminants to a similar extent; halide and carbonate scavenging and the reactivities of associated daughter radicals were less important. For UV/S2O8(2-), anions (mostly Cl(-)) scavenged ∼93% of the SO4(-). Because daughter radicals of Cl(-) contributed to contaminant degradation, the reduction in contaminant degradation efficiency was only ∼75-80%, with the reduction driven by daughter radical scavenging by EfOM. Conversion of SO4(-) to more selective halogen and carbonate radicals resulted in a wider range of degradation efficiencies among the contaminants. For both AOPs, 250 mJ/cm(2) average fluence achieved significant removal of four pharmaceuticals, with significantly better performance by UV/S2O8(2-) treatment for some constituents. Accounting for the lower brine flowrates, the energy output to achieve this fluence in brines is comparable to that often applied to RO permeates. However, much higher fluence was required for the least reactive pharmaceutical. Comparing AOP application to the RO influent or brine, equal or greater removal was achieved for brine treatment for comparable energy input. AOP treatment of brines could be applied to reduce, but not eliminate, contaminant burdens prior to discharge. Copyright © 2015 Elsevier Ltd. All rights reserved.

Advanced oxidation process using hydrogen peroxide/microwave system for solubilization of phosphate.

PubMed

Liao, Ping Huang; Wong, Wayne T; Lo, Kwang Victor

2005-01-01

An advanced oxidation process (AOP) combining hydrogen peroxide and microwave heating was used for the solubilization of phosphate from secondary municipal sludge from an enhanced biological phosphorus removal process. The microwave irradiation is used as a generator agent of oxidizing radicals as well as a heating source in the process. This AOP process could facilitate the release of a large amount of the sludge-bound phosphorus from the sewage sludge. More than 84% of the total phosphorous could be released at a microwave heating time of 5 min at 170 degrees C. This innovative process has the potential of being applied to simple sludge treatment processes in domestic wastewater treatment and to the recovery of phosphorus from the wastewater.

Current controversies in the management of the anemia of prematurity.

PubMed

Bishara, Nader; Ohls, Robin K

2009-02-01

Preterm infants, especially those with extremely low birth weight (ELBW) are exposed to frequent blood draws as part of their care in the neonatal intensive care unit. ELBW infants develop the anemia of prematurity (AOP), a hypo-proliferative anemia marked by inadequate production of erythropoietin (Epo). Treatment of AOP includes red blood cell transfusions, which are given to preterm infants based on indications and guidelines (hematocrit/hemoglobin levels, ventilation and oxygen need, apneas and bradycardias, poor weight gain) that are relatively non-specific. In this article we review recent studies evaluating transfusion guidelines, discuss ways to decrease phlebotomy losses and examine the use of red cell growth factors such as Epo in preventing and treating anemia in preterm infants.

Optimizing Aspect-Oriented Mechanisms for Embedded Applications

NASA Astrophysics Data System (ADS)

Hundt, Christine; Stöhr, Daniel; Glesner, Sabine

As applications for small embedded mobile devices are getting larger and more complex, it becomes inevitable to adopt more advanced software engineering methods from the field of desktop application development. Aspect-oriented programming (AOP) is a promising approach due to its advanced modularization capabilities. However, existing AOP languages tend to add a substantial overhead in both execution time and code size which restricts their practicality for small devices with limited resources. In this paper, we present optimizations for aspect-oriented mechanisms at the level of the virtual machine. Our experiments show that these optimizations yield a considerable performance gain along with a reduction of the code size. Thus, our optimizations establish the base for using advanced aspect-oriented modularization techniques for developing Java applications on small embedded devices.

Aspect-Oriented Approach to Operating System Development Empirical Study

NASA Astrophysics Data System (ADS)

Kuusela, Jaakko; Tuominen, Harri

This paper presents a case-study where a new programming technique is applied to an established branch of software development. The purpose of the study was to test whether or not aspect-oriented programming (AOP) could be used in operating systems development. Instead of any real world operating system an educational OS with the name Nachos was used. This was because Nachos is written in Java which makes it easy to introduce aspect-oriented techniques. In this paper a new file system for the Nachos OS is developed and then it is analyzed by profiling and metrics. The results show that it is possible to use AOP in OS development and that it is also beneficial to do so.

Integrated Decision Strategies for Skin Sensitization Hazard

PubMed Central

Strickland, Judy; Zang, Qingda; Kleinstreuer, Nicole; Paris, Michael; Lehmann, David M.; Choksi, Neepa; Matheson, Joanna; Jacobs, Abigail; Lowit, Anna; Allen, David; Casey, Warren

2016-01-01

One of the top priorities of ICCVAM is the identification and evaluation of non-animal alternatives for skin sensitization testing. Although skin sensitization is a complex process, the key biological events of the process have been well characterized in an adverse outcome pathway (AOP) proposed by OECD. Accordingly, ICCVAM is working to develop integrated decision strategies based on the AOP using in vitro, in chemico, and in silico information. Data were compiled for 120 substances tested in the murine local lymph node assay (LLNA), direct peptide reactivity assay (DPRA), human cell line activation test (h-CLAT), and KeratinoSens assay. Data for six physicochemical properties that may affect skin penetration were also collected, and skin sensitization read-across predictions were performed using OECD QSAR Toolbox. All data were combined into a variety of potential integrated decision strategies to predict LLNA outcomes using a training set of 94 substances and an external test set of 26 substances. Fifty-four models were built using multiple combinations of machine learning approaches and predictor variables. The seven models with the highest accuracy (89–96% for the test set and 96–99% for the training set) for predicting LLNA outcomes used a support vector machine (SVM) approach with different combinations of predictor variables. The performance statistics of the SVM models were higher than any of the non-animal tests alone and higher than simple test battery approaches using these methods. These data suggest that computational approaches are promising tools to effectively integrate data sources to identify potential skin sensitizers without animal testing. PMID:26851134

Seeing the Invisible: Embedding Tests in Code That Cannot be Modified

NASA Technical Reports Server (NTRS)

O'Malley, Owen; Mansouri-Samani, Masoud; Mehlitz, Peter; Penix, John

2005-01-01

The difficulty of characterizing and observing valid software behavior during testing can be very difficult in flight systems. To address this issue, we evaluated several approaches to increasing test observability on the Shuttle Abort Flight Management (SAFM) system. To increase test observability, we added probes into the running system to evaluate the internal state and analyze test data. To minimize the impact of the instrumentation and reduce manual effort, we used Aspect-Oriented Programming (AOP) tools to instrument the source code. We developed and elicited a spectrum of properties, from generic to application specific properties, to be monitored via the instrumentation. To evaluate additional approaches, SAFM was ported to Linux, enabling the use of gcov for measuring test coverage, Valgrind for looking for memory usage errors, and libraries for finding non-normal floating point values. An in-house C++ source code scanning tool was also used to identify violations of SAFM coding standards, and other potentially problematic C++ constructs. Using these approaches with the existing test data sets, we were able to verify several important properties, confirm several problems and identify some previously unidentified issues.

Development of linear free energy relationships for aqueous phase radical-involved chemical reactions.

PubMed

Minakata, Daisuke; Mezyk, Stephen P; Jones, Jace W; Daws, Brittany R; Crittenden, John C

2014-12-02

Aqueous phase advanced oxidation processes (AOPs) produce hydroxyl radicals (HO•) which can completely oxidize electron rich organic compounds. The proper design and operation of AOPs require that we predict the formation and fate of the byproducts and their associated toxicity. Accordingly, there is a need to develop a first-principles kinetic model that can predict the dominant reaction pathways that potentially produce toxic byproducts. We have published some of our efforts on predicting the elementary reaction pathways and the HO• rate constants. Here we develop linear free energy relationships (LFERs) that predict the rate constants for aqueous phase radical reactions. The LFERs relate experimentally obtained kinetic rate constants to quantum mechanically calculated aqueous phase free energies of activation. The LFERs have been applied to 101 reactions, including (1) HO• addition to 15 aromatic compounds; (2) addition of molecular oxygen to 65 carbon-centered aliphatic and cyclohexadienyl radicals; (3) disproportionation of 10 peroxyl radicals, and (4) unimolecular decay of nine peroxyl radicals. The LFERs correlations predict the rate constants within a factor of 2 from the experimental values for HO• reactions and molecular oxygen addition, and a factor of 5 for peroxyl radical reactions. The LFERs and the elementary reaction pathways will enable us to predict the formation and initial fate of the byproducts in AOPs. Furthermore, our methodology can be applied to other environmental processes in which aqueous phase radical-involved reactions occur.

Adapting biomarker technologies to adverse outcome ...

EPA Pesticide Factsheets

Adverse outcome pathways (AOP) research is a relatively new concept in human systems biology for assessing the molecular level linkage from an initiating (chemical) event that could lead to a disease state. Although most implementations of AOPs are based on liquids analyses, there are now new technologies being considered derived from the broad field of breath research, especially in applications of gas-phase analysis and instrumentation. The ultimate goal is to discover disease progressions in human or animal systems, identify them at the molecular or cellular level, and then choose analytes that can distinctly define the presence of a particular path (Ankley et al. 2010, Villeneuve et al. 2014). Once such in vivo pathways are identified, then in vitro assays can be developed for streamlined testing of chemical effects without additional human or animal based studies (Pleil et al. 2012). Recent work has focused on discovery analysis in breath, or other biological media, wherein as many as possible compounds are cataloged and then linked to their biochemical source as exogenous (external), endogenous (internal) or from the microbiome (Pleil et al. 2013a, de Lacy Costello 2014, Pleil et al. 2013b, Trefz et al. 2013, Pleil et al. 2014). Such research lays the groundwork for identifying compounds from systems biology that might be relevant for developing AOPs for in vitro research. The National Exposure Research Laboratory’s (NERL’s) Human Exposure and Atm

The Enhancement of H2O2/UV AOPs for the Removal of Selected Organic Pollutants from Drinking Water with Hydrodynamic Cavitation.

PubMed

Čehovin, Matej; Medic, Alojz; Kompare, Boris; Žgajnar Gotvajn, Andreja

2016-12-01

Drinking water contains organic matter that occasionally needs to be treated to assure its sufficient quality and safety for the consumers. H2O2 and UV advanced oxidation processes (H2O2/UV AOPs) were combined with hydrodynamic cavitation (HC) to assess the effects on the removal of selected organic pollutants. Water samples containing humic acid, methylene blue dye and micropollutants (metaldehyde, diatrizoic acid, iohexol) were treated first by H2O2 (dosages from 1 to 12 mg L-1) and UV (dosages from 300 to 2800 mJ cm-2) AOPs alone and later in combination with HC, generated by nozzles and orifice plates (4, 8, 18 orifices). Using HC, the removal of humic acid was enhanced by 5-15%, methylene blue by 5-20% and metaldehyde by approx. 10%. Under favouring conditions, i.e. high UV absorbance of the matrix (more than 0.050 cm-1 at a wavelength of 254 nm) and a high pollutant to oxidants ratio, HC was found to improve the hydrodynamic conditions in the photolytic reactor, to improve the subjection of the H2O2 to the UV fluence rate distribution and to enhance the removal of the tested organic pollutants, thus showing promising potential of further research in this field.

Elimination of pharmaceutical residues in biologically pre-treated hospital wastewater using advanced UV irradiation technology: a comparative assessment.

PubMed

Köhler, C; Venditti, S; Igos, E; Klepiszewski, K; Benetto, E; Cornelissen, A

2012-11-15

UV irradiation technology as a membrane bioreactor (MBR) post-treatment was investigated and assessed. Both UV low pressure (LP) and medium pressure (MP) lamps were examined. The technology was installed in a pilot plant treating hospital wastewater to provide the study with adequate field data. The effect of the UV irradiation was enhanced with varying dosages of H2O2 to establish an advanced oxidation process (AOP). The efficiency of the pharmaceutical removal process was assessed by examining 14 micropollutants (antibiotics, analgesics, anticonvulsants, beta-blockers, cytostatics and X-ray contrast media) which are typically released by hospitals and detected with liquid chromatography coupled tandem mass spectrometry (LC-MS/MS). While the MBR treatment generally showed only a low degradation capacity for persistent pharmaceuticals, much better degradation was obtained by applying UV irradiation and H2O2 as AOP. The "conventional" cost-benefit analysis of the different technology options taking into account both electrical energy consumption and pharmaceutical removal efficiency, revealed clearly better performance of low pressure UV lamps as AOP. However, a holistic comparison between the different scenarios was carried out by evaluating their environmental impacts using the life cycle assessment (LCA) methodology. Decisive advantages were highlighted to include this approach in the decision making process. Copyright © 2012 Elsevier B.V. All rights reserved.

Efficient removal of endosulfan from aqueous solution by UV-C/peroxides: a comparative study.

PubMed

Shah, Noor S; He, Xuexiang; Khan, Hasan M; Khan, Javed Ali; O'Shea, Kevin E; Boccelli, Dominic L; Dionysiou, Dionysios D

2013-12-15

This study explored the efficiency of UV-C-based advanced oxidation processes (AOPs), i.e., UV/S2O8(2-), UV/HSO5(-), and UV/H2O2 for the degradation of endosulfan, an organochlorine insecticide and an emerging water pollutant. A significant removal, 91%, 86%, and 64%, of endosulfan, at an initial concentration of 2.45 μM and UV fluence of 480 mJ/cm(2), was achieved by UV/S2O8(2-), UV/HSO5(-), and UV/H2O2 processes, respectively, at a [peroxide]0/[endosulfan]0 molar ratio of 20. The efficiency of these processes was, however, inhibited in the presence of radical scavengers, such as alcohols (e.g., tertiary butyl alcohol and isopropyl alcohol) and natural organic matter (NOM). The inhibition was also influenced by common inorganic anions in the order of nitrite > bicarbonate > chloride > nitrate ≈ sulfate. The observed pseudo-first-order rate constant decreased while the degradation rate increased with increasing initial concentration of the target contaminant. The degradation mechanism of endosulfan by the AOPs was evaluated revealing the main by-product as endosulfan ether. Results of this study suggest that UV-C-based AOPs are potential methods for the removal of pesticides, such as endosulfan and its by-products, from contaminated water. Copyright © 2013 Elsevier B.V. All rights reserved.

Identification of organic compounds in landfill leachate treated by advanced oxidation processes.

PubMed

Scandelai, Ana Paula Jambers; Sloboda Rigobello, Eliane; Oliveira, Beatriz Lopes Corso de; Tavares, Célia Regina Granhen

2017-11-27

Landfill leachates are considered to be complex effluents of a variable composition containing many biorecalcitrant and highly toxic compounds. Considering the shortage of studies concerning the treatment of landfill leachates using ozone, as well as its combination with catalysts, the aim of this paper was to identify the organic compounds in this effluent treated with advanced oxidation processes (AOPs) of ozonation (O 3 ), and heterogeneous catalytic ozonation with TiO 2 (O 3 /TiO 2 ) and with ZnO (O 3 /ZnO). In addition, this study sought to assess the efficiency of the removal of the organic matter present in the leachate. For the pre- and post-AOPs, the leachate was characterized through physicochemical parameters and identification of organic compounds using gas chromatography coupled to the mass spectrometry (GC-MS). The three processes studied (O 3 , O 3 /TiO 2 , and O 3 /ZnO) presented color removal, turbidity, BOD above 95%, and lower COD removals (19%, 24%, and 33%, respectively). All AOPs studied promoted a similar reduction of organic compounds from leachate, some of which with toxic and carcinogenic potential, such as p-cresol, bisphenol A, atrazine, and hexazinone. In addition, upon the removal of organic matter and organic compounds, the heterogeneous catalytic ozonation processes proved more efficient than the process carried out only with ozone.

Solar-Enhanced Advanced Oxidation Processes for Water Treatment: Simultaneous Removal of Pathogens and Chemical Pollutants.

PubMed

Tsydenova, Oyuna; Batoev, Valeriy; Batoeva, Agniya

2015-08-14

The review explores the feasibility of simultaneous removal of pathogens and chemical pollutants by solar-enhanced advanced oxidation processes (AOPs). The AOPs are based on in-situ generation of reactive oxygen species (ROS), most notably hydroxyl radicals •OH, that are capable of destroying both pollutant molecules and pathogen cells. The review presents evidence of simultaneous removal of pathogens and chemical pollutants by photocatalytic processes, namely TiO2 photocatalysis and photo-Fenton. Complex water matrices with high loads of pathogens and chemical pollutants negatively affect the efficiency of disinfection and pollutant removal. This is due to competition between chemical substances and pathogens for generated ROS. Other possible negative effects include light screening, competitive photon absorption, adsorption on the catalyst surface (thereby inhibiting its photocatalytic activity), etc. Besides, some matrix components may serve as nutrients for pathogens, thus hindering the disinfection process. Each type of water/wastewater would require a tailor-made approach and the variables that were shown to influence the processes-catalyst/oxidant concentrations, incident radiation flux, and pH-need to be adjusted in order to achieve the required degree of pollutant and pathogen removal. Overall, the solar-enhanced AOPs hold promise as an environmentally-friendly way to substitute or supplement conventional water/wastewater treatment, particularly in areas without access to centralized drinking water or sewage/wastewater treatment facilities.

Assessment of the UV/Cl2 advanced oxidation process for the degradation of the emerging contaminants amitriptyline hydrochloride, methyl salicylate and 2-phenoxyethanol in water systems.

PubMed

Javier Benitez, F; Real, Francisco J; Acero, Juan L; Casas, Francisco

2017-10-01

Three emerging contaminants (amitriptyline hydrochloride (AH), methyl salicylate (MS) and 2-phenoxyethanol (PE)) frequently found in wastewaters were selected to be individually degraded in ultra-pure water by the advanced oxidation process (AOP) constituted by the combination of UV radiation and chlorine. The influence of pH, initial chlorine concentration and nature of the contaminants was firstly explored. The trend for the reactivity of the selected compounds was deduced: AH > MS > PE. A later kinetic study was carried out focused on the evaluation of the first-order rate constants and the determination of the partial contribution to the global reaction of the direct photochemical pathway and the radical pathway. In a second stage, the simultaneous oxidation of mixtures of the selected contaminants in several types of water was also performed by the same combination UV/Cl 2 . The efficiency of this combined system UV/Cl 2 was compared to other oxidants such as the UV/[Formula: see text] and UV/H 2 O 2 AOPs, and the influence of the operating variables was discussed. Results confirmed that the UV/Cl 2 system provides higher elimination efficiencies among the AOPs tested. The presence of dissolved organic matter and bicarbonate ions in the water matrix caused a decrease in the treatment efficiency.

Solar-Enhanced Advanced Oxidation Processes for Water Treatment: Simultaneous Removal of Pathogens and Chemical Pollutants

PubMed Central

Tsydenova, Oyuna; Batoev, Valeriy; Batoeva, Agniya

2015-01-01

The review explores the feasibility of simultaneous removal of pathogens and chemical pollutants by solar-enhanced advanced oxidation processes (AOPs). The AOPs are based on in-situ generation of reactive oxygen species (ROS), most notably hydroxyl radicals •OH, that are capable of destroying both pollutant molecules and pathogen cells. The review presents evidence of simultaneous removal of pathogens and chemical pollutants by photocatalytic processes, namely TiO2 photocatalysis and photo-Fenton. Complex water matrices with high loads of pathogens and chemical pollutants negatively affect the efficiency of disinfection and pollutant removal. This is due to competition between chemical substances and pathogens for generated ROS. Other possible negative effects include light screening, competitive photon absorption, adsorption on the catalyst surface (thereby inhibiting its photocatalytic activity), etc. Besides, some matrix components may serve as nutrients for pathogens, thus hindering the disinfection process. Each type of water/wastewater would require a tailor-made approach and the variables that were shown to influence the processes—catalyst/oxidant concentrations, incident radiation flux, and pH—need to be adjusted in order to achieve the required degree of pollutant and pathogen removal. Overall, the solar-enhanced AOPs hold promise as an environmentally-friendly way to substitute or supplement conventional water/wastewater treatment, particularly in areas without access to centralized drinking water or sewage/wastewater treatment facilities. PMID:26287222

[A new method to orthodontically correct dental occlusal plane canting: wave-shaped arch].

PubMed

Zheng, X; Hu, X X; Ma, N; Chen, X H

2017-02-18

To introduce a technique of second order wave-shaped arch wire to orthodontically treat dental occlusal plane canting (DOPC) with left-right interactive anchorage, and to test its clinical efficacy. Among the permanent dentition malocclusion patients who showed no obvious facial asymmetry, we screened for patients who showed anterior occlusal plane canting (AOPC) after routine orthodontic examination, treatment planning, MBT fixed appliance installation and serial arch wires alignment. Each patient had been clinically appraised in frontal view by 2 orthodontists and the patient him/herself; if all 3 agreed that the AOPC was obvious, the patient was included. By this means, we included 37 patients, including 10 males and 27 females; the average age was (21.9±5.2) years. To correct AOPC, opposite direction equal curvature second order rocking-chair curve was bent on each side of 0.46 mm×0.56 mm stainless steel edgewise wire. With reference to normal occlusal plane, a curve toward the occlusal surface was made to extrude under-erupted teeth on one side while a curve toward the gingiva was made to intrude over-erupted teeth on the other side, so that the arch wire was made into a wave shape in vertical dimension. Before and after application of wave-shaped arch wire, frontal facial photographs were taken when the patient's mouth was open slightly with lips retracted to show anterior occlusal plane (AOP) clearly. An AOP was constructed by connecting the center of the slot in the medial edge of canine bracket on each side in the photograph. The angles between the bipupillary plane(BPP) and the constructed AOP were measured in ImageJ1-48v software and the angle differences before and after treatment were compared with paired Wilcoxon test in SPSS 10.0 software. The wave-shaped arch could correct AOPC effectively in 3 to 10 months time with an average of 5.5±1.7 months; the angles between AOP and BBP before treatment ranged from 2.90° to 6.12° with a median of 4.01°; after treatment the angles were from -0.17° to 2.57° with a median of 1.87°, the decrease of the angles between AOP and BBP after treatment ranged from 1.08° to 4.15° with a median of 2.21°. Paired Wilcoxon test P was 0.000. The wave-shaped arch can be used independently or in combination with other treatment methods, which can take advantage of left and right interactive anchorage to correct AOPC effectively, so it has certain application value in clinical practice.

Application of manual assessment of oxygen radical absorbent capacity (ORAC) for use in high throughput assay of "total" antioxidant activity of drugs and natural products.

PubMed

Price, Joseph A; Sanny, Charles G; Shevlin, Dennis

2006-01-01

Antioxidants are of particular interest in a spectrum of diseases, and thus are an active area of drug discovery and design. It is important to make considered choices as to which assay chemistry will best serve for particular investigations. We examined the manual oxygen radical absorbent capacity (ORAC) assay for "total" antioxidant activity, including a direct comparison to an alternative technique, the AOP-490 assay, using a panel of extracts from 12 phylogenetically unrelated algae. The AOP-490 assay was done per manufacturer's protocol. The ORAC assay was done by hand, in 96-well plates, not by machine as had been previously published. Our ORAC calculations were done using an in-experiment antioxidant standard curve. Results were reported as equivalents of the antioxidant Trolox, which was used as a standard. With the AOP-490 kit (from Oxis Research) widespread activity was found, but not in all samples. When the ORAC method was used to assay aliquots of the same extracts there was significant activity detected in all samples, and the rank order of activity by the two methods was not identical. The data showed the wide occurrence of antioxidants in algae. The standard curve with the manual ORAC assay was linear in the range tested (0-100 mM Trolox) and had excellent reproducibility. The importance of the beneficial effects of antioxidants is currently an area of active interest for drug development, and thus it is of great value to have an assay that is robust and approximates "total" antioxidant activity in a high throughput format. The ORAC (oxygen radical absorbent capacity) method was adapted to microplates and an eight-channel pipette and was more effective in detecting "total" antioxidant activity than the AOP-490 assay. These results might vary with other types of samples, and would depend on the active agents measured, but do suggest the practical value of the ORAC assay for any laboratory not ready for robotics but using manual 96-well format assays, and the utility of the ORAC assay for evaluating algal, and probably other samples as well.

Ecologically aware design of waterway-encapsulating structures.

DOT National Transportation Integrated Search

2016-08-01

Aquatic organism passage (AOP) in waterways-encapsulating structures, particularly culverts, is of growing concern to environmental : regulatory agencies, and the Indiana Department of Transportation (INDOT) is seeking systematic responses to this co...

Applications of AOPs to ecotoxicology

EPA Science Inventory

Toxicologists conducting safety assessments for either human or ecological health are responsible for generating data for possible adverse effects of a rapidly increasing number of substances. For example, the Registration, Evaluation, Authorisation and Restriction of Chemicals (...

Use of Non-Apical Assay Data in an Integrated Approach to ...

EPA Pesticide Factsheets

This speaker abstract is part of a session proposal for the 2018 Society of Toxicology annual meeting. I am proposing to speak about the use of new approach methods and data, such as AOPs, in mixtures risk assessment. I have developed an innovative approach called AOP footprinting that I intend to present at this meeting. This speaker abstract is part of a session proposal for the 2018 Society of Toxicology annual meeting. Drs. Margaret Pratt (NCEA-IRIS) and Cynthia Rider (NIEHS) are the co-chairs of the proposed session which is designed to present information related to mixtures risk assessment of environmental chemicals, such as PAHs. I have specifically been asked to speak about the use of 21st century toxicity information in human health assessment (e.g., assay data from novel data streams).

Highly effective degradation of selected groups of organic compounds by cavitation based AOPs under basic pH conditions.

PubMed

Gągol, Michał; Przyjazny, Andrzej; Boczkaj, Grzegorz

2018-07-01

Cavitation has become on the most often applied methods in a number of industrial technologies. In the case of oxidation of organic pollutants occurring in the aqueous medium, cavitation forms the basis of numerous advanced oxidation processes (AOPs). This paper presents the results of investigations on the efficiency of oxidation of the following groups of organic compounds: organosulfur, nitro derivatives of benzene, BTEX, and phenol and its derivatives in a basic model effluent using hydrodynamic and acoustic cavitation combined with external oxidants, i.e., hydrogen peroxide, ozone and peroxone. The studies revealed that the combination of cavitation with additional oxidants allows 100% oxidation of the investigated model compounds. However, individual treatments differed with respect to the rate of degradation. Hydrodynamic cavitation aided by peroxone was found to be the most effective treatment (100% oxidation of all the investigated compounds in 60 min). When using hydrodynamic and acoustic cavitation alone, the effectiveness of oxidation was diversified. Under these conditions, nitro derivatives of benzene and phenol and its derivatives were found to be resistant to oxidation. In addition, hydrodynamic cavitation was found to be more effective in degradation of model compounds than acoustic cavitation. The results of investigations presented in this paper compare favorably with the investigations on degradation of organic contaminants using AOPs under conditions of basic pH published thus far. Copyright © 2018 Elsevier B.V. All rights reserved.

The use of artificial neural network (ANN) for the prediction and simulation of oil degradation in wastewater by AOP.

PubMed

Mustafa, Yasmen A; Jaid, Ghydaa M; Alwared, Abeer I; Ebrahim, Mothana

2014-06-01

The application of advanced oxidation process (AOP) in the treatment of wastewater contaminated with oil was investigated in this study. The AOP investigated is the homogeneous photo-Fenton (UV/H2O2/Fe(+2)) process. The reaction is influenced by the input concentration of hydrogen peroxide H2O2, amount of the iron catalyst Fe(+2), pH, temperature, irradiation time, and concentration of oil in the wastewater. The removal efficiency for the used system at the optimal operational parameters (H2O2 = 400 mg/L, Fe(+2) = 40 mg/L, pH = 3, irradiation time = 150 min, and temperature = 30 °C) for 1,000 mg/L oil load was found to be 72%. The study examined the implementation of artificial neural network (ANN) for the prediction and simulation of oil degradation in aqueous solution by photo-Fenton process. The multilayered feed-forward networks were trained by using a backpropagation algorithm; a three-layer network with 22 neurons in the hidden layer gave optimal results. The results show that the ANN model can predict the experimental results with high correlation coefficient (R (2) = 0.9949). The sensitivity analysis showed that all studied variables (H2O2, Fe(+2), pH, irradiation time, temperature, and oil concentration) have strong effect on the oil degradation. The pH was found to be the most influential parameter with relative importance of 20.6%.

Predictive Models and Computational Embryology

EPA Science Inventory

EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...

Formal groups and Z-entropies

PubMed Central

2016-01-01

We shall prove that the celebrated Rényi entropy is the first example of a new family of infinitely many multi-parametric entropies. We shall call them the Z-entropies. Each of them, under suitable hypotheses, generalizes the celebrated entropies of Boltzmann and Rényi. A crucial aspect is that every Z-entropy is composable (Tempesta 2016 Ann. Phys. 365, 180–197. (doi:10.1016/j.aop.2015.08.013)). This property means that the entropy of a system which is composed of two or more independent systems depends, in all the associated probability space, on the choice of the two systems only. Further properties are also required to describe the composition process in terms of a group law. The composability axiom, introduced as a generalization of the fourth Shannon–Khinchin axiom (postulating additivity), is a highly non-trivial requirement. Indeed, in the trace-form class, the Boltzmann entropy and Tsallis entropy are the only known composable cases. However, in the non-trace form class, the Z-entropies arise as new entropic functions possessing the mathematical properties necessary for information-theoretical applications, in both classical and quantum contexts. From a mathematical point of view, composability is intimately related to formal group theory of algebraic topology. The underlying group-theoretical structure determines crucially the statistical properties of the corresponding entropies. PMID:27956871

ADVANCED OXIDATION: OXALATE DECOMPOSITION TESTING WITH OZONE

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

Ketusky, E.; Subramanian, K.

At the Savannah River Site (SRS), oxalic acid is currently considered the preferred agent for chemically cleaning the large underground Liquid Radioactive Waste Tanks. It is applied only in the final stages of emptying a tank when generally less than 5,000 kg of waste solids remain, and slurrying based removal methods are no-longer effective. The use of oxalic acid is preferred because of its combined dissolution and chelating properties, as well as the fact that corrosion to the carbon steel tank walls can be controlled. Although oxalic acid is the preferred agent, there are significant potential downstream impacts. Impacts include:more » (1) Degraded evaporator operation; (2) Resultant oxalate precipitates taking away critically needed operating volume; and (3) Eventual creation of significant volumes of additional feed to salt processing. As an alternative to dealing with the downstream impacts, oxalate decomposition using variations of ozone based Advanced Oxidation Process (AOP) were investigated. In general AOPs use ozone or peroxide and a catalyst to create hydroxyl radicals. Hydroxyl radicals have among the highest oxidation potentials, and are commonly used to decompose organics. Although oxalate is considered among the most difficult organic to decompose, the ability of hydroxyl radicals to decompose oxalate is considered to be well demonstrated. In addition, as AOPs are considered to be 'green' their use enables any net chemical additions to the waste to be minimized. In order to test the ability to decompose the oxalate and determine the decomposition rates, a test rig was designed, where 10 vol% ozone would be educted into a spent oxalic acid decomposition loop, with the loop maintained at 70 C and recirculated at 40L/min. Each of the spent oxalic acid streams would be created from three oxalic acid strikes of an F-area simulant (i.e., Purex = high Fe/Al concentration) and H-area simulant (i.e., H area modified Purex = high Al/Fe concentration) after nearing dissolution equilibrium, and then decomposed to {le} 100 Parts per Million (ppm) oxalate. Since AOP technology largely originated on using ultraviolet (UV) light as a primary catalyst, decomposition of the spent oxalic acid, well exposed to a medium pressure mercury vapor light was considered the benchmark. However, with multi-valent metals already contained in the feed, and maintenance of the UV light a concern; testing was conducted to evaluate the impact from removing the UV light. Using current AOP terminology, the test without the UV light would likely be considered an ozone based, dark, ferrioxalate type, decomposition process. Specifically, as part of the testing, the impacts from the following were investigated: (1) Importance of the UV light on the decomposition rates when decomposing 1 wt% spent oxalic acid; (2) Impact of increasing the oxalic acid strength from 1 to 2.5 wt% on the decomposition rates; and (3) For F-area testing, the advantage of increasing the spent oxalic acid flowrate from 40 L/min (liters/minute) to 50 L/min during decomposition of the 2.5 wt% spent oxalic acid. The results showed that removal of the UV light (from 1 wt% testing) slowed the decomposition rates in both the F & H testing. Specifically, for F-Area Strike 1, the time increased from about 6 hours to 8 hours. In H-Area, the impact was not as significant, with the time required for Strike 1 to be decomposed to less than 100 ppm increasing slightly, from 5.4 to 6.4 hours. For the spent 2.5 wt% oxalic acid decomposition tests (all) without the UV light, the F-area decompositions required approx. 10 to 13 hours, while the corresponding required H-Area decompositions times ranged from 10 to 21 hours. For the 2.5 wt% F-Area sludge, the increased availability of iron likely caused the increased decomposition rates compared to the 1 wt% oxalic acid based tests. In addition, for the F-testing, increasing the recirculation flow rates from 40 liter/minute to 50 liter/minute resulted in an increased decomposition rate, suggesting a better use of ozone.« less

Computationally-Predicted AOPs and Systems Toxicology

EPA Science Inventory

The Adverse Outcome Pathway has emerged as an internationally harmonized mechanism for organizing biological information in a chemical agnostic manner. This construct is valuable for interpreting the results from high-throughput toxicity (HTT) assessment by providing a mechanisti...

Data-driven development of AOP knowledge

EPA Science Inventory

The Adverse Outcome Pathway framework represents a systematic way to organize mechanistic information underlying toxicology, and it is specifically designed to connect early stage molecular perturbations by chemicals and other stressors with adverse outcomes in humans and wildlif...

Predictive Models and Computational Toxicology (II IBAMTOX)

EPA Science Inventory

EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...

Intrinsic Chemiluminescence Generation during Advanced Oxidation of Persistent Halogenated Aromatic Carcinogens.

PubMed

Mao, Li; Liu, Yu-Xiang; Huang, Chun-Hua; Gao, Hui-Ying; Kalyanaraman, Balaraman; Zhu, Ben-Zhan

2015-07-07

The ubiquitous distribution coupled with their carcinogenicity has raised public concerns on the potential risks to both human health and the ecosystem posed by the halogenated aromatic compounds (XAr). Recently, advanced oxidation processes (AOPs) have been increasingly favored as an "environmentally-green" technology for the remediation of such recalcitrant and highly toxic XAr. Here, we show that AOPs-mediated degradation of the priority pollutant pentachlorophenol and all other XAr produces an intrinsic chemiluminescence that directly depends on the generation of the extremely reactive hydroxyl radicals. We propose that the hydroxyl radical-dependent formation of quinoid intermediates and electronically excited carbonyl species is responsible for this unusual chemiluminescence production. A rapid, sensitive, simple, and effective chemiluminescence method was developed to quantify trace amounts of XAr and monitor their real-time degradation kinetics. These findings may have broad biological and environmental implications for future research on this important class of halogenated persistent organic pollutants.

Efficiency, costs and benefits of AOPs for removal of pharmaceuticals from the water cycle.

PubMed

Tuerk, J; Sayder, B; Boergers, A; Vitz, H; Kiffmeyer, T K; Kabasci, S

2010-01-01

Different advanced oxidation processes (AOP) were developed for the treatment of highly loaded wastewater streams. Optimisation of removal and improvement of efficiency were carried out on a laboratory, semiworks and pilot plant scale. The persistent cytostatic drug cyclophosphamide was selected as a reference substance regarding elimination and evaluation of the various oxidation processes because of its low degradability rate. The investigated processes are cost-efficient and suitable regarding the treatment of wastewater streams since they lead to efficient elimination of antibiotics and antineoplastics. A total reduction of toxicity was proven by means of the umuC-test. However, in order to reduce pharmaceuticals from the water cycle, it must be considered that the input of more than 80 % of the pharmaceuticals entering wastewater treatment systems results from private households. Therefore, advanced technologies should also be installed at wastewater treatment plants.

New perspectives for Advanced Oxidation Processes.

PubMed

Dewil, Raf; Mantzavinos, Dionissios; Poulios, Ioannis; Rodrigo, Manuel A

2017-06-15

Advanced Oxidation Processes (AOPs) are called to fill the gap between the treatability attained by conventional physico-chemical and biological treatments and the day-to-day more exigent limits fixed by environmental regulations. They are particularly important for the removal of anthropogenic pollutants and for this reason, they have been widely investigated in the last decades and even applied in the treatment of many industrial wastewater flows. However, despite the great development reached, AOPs cannot be considered mature yet and there are many new fields worthy of research. Some of them are going to be briefly introduced in this paper, including hybrid processes, heterogeneous semiconductor photocatalysis, sulphate-radical oxidation and electrochemical advanced oxidation for water/wastewater treatment. Moreover, the use of photoelectrochemical processes for energy production is discussed. The work ends with some perspectives that can be of interest for the ongoing and future research. Copyright © 2017. Published by Elsevier Ltd.

Retrieving the polarization information for satellite-to-ground light communication

NASA Astrophysics Data System (ADS)

Tao, Qiangqiang; Guo, Zhongyi; Xu, Qiang; Jiao, Weiyan; Wang, Xinshun; Qu, Shiliang; Gao, Jun

2015-08-01

In this paper, we have investigated the reconstruction of the polarization states (degree of polarization (DoP) and angle of polarization (AoP)) of the incident light which passed through a 10 km atmospheric medium between the satellite and the Earth. Here, we proposed a more practical atmospheric model in which the 10 km atmospheric medium is divided into ten layers to be appropriate for the Monte Carlo simulation algorithm. Based on this model, the polarization retrieve (PR) method can be used for reconstructing the initial polarization information effectively, and the simulated results demonstrate that the mean errors of the retrieved DoP and AoP are very close to zero. Moreover, the results also show that although the atmospheric medium system is fixed, the Mueller matrices for the downlink and uplink are completely different, which shows that the light transmissions in the two links are irreversible in the layered atmospheric medium system.

Transformation of Contaminant Candidate List (CCL3) compounds during ozonation and advanced oxidation processes in drinking water: Assessment of biological effects.

PubMed

Mestankova, Hana; Parker, Austa M; Bramaz, Nadine; Canonica, Silvio; Schirmer, Kristin; von Gunten, Urs; Linden, Karl G

2016-04-15

The removal of emerging contaminants during water treatment is a current issue and various technologies are being explored. These include UV- and ozone-based advanced oxidation processes (AOPs). In this study, AOPs were explored for their degradation capabilities of 25 chemical contaminants on the US Environmental Protection Agency's Contaminant Candidate List 3 (CCL3) in drinking water. Twenty-three of these were found to be amenable to hydroxyl radical-based treatment, with second-order rate constants for their reactions with hydroxyl radicals (OH) in the range of 3-8 × 10(9) M(-1) s(-1). The development of biological activity of the contaminants, focusing on mutagenicity and estrogenicity, was followed in parallel with their degradation using the Ames and YES bioassays to detect potential changes in biological effects during oxidative treatment. The majority of treatment cases resulted in a loss of biological activity upon oxidation of the parent compounds without generation of any form of estrogenicity or mutagenicity. However, an increase in mutagenic activity was detected by oxidative transformation of the following CCL3 parent compounds: nitrobenzene (OH, UV photolysis), quinoline (OH, ozone), methamidophos (OH), N-nitrosopyrolidine (OH), N-nitrosodi-n-propylamine (OH), aniline (UV photolysis), and N-nitrosodiphenylamine (UV photolysis). Only one case of formation of estrogenic activity was observed, namely, for the oxidation of quinoline by OH. Overall, this study provides fundamental and practical information on AOP-based treatment of specific compounds of concern and represents a framework for evaluating the performance of transformation-based treatment processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Increased formation of halomethanes during chlorination of chloramphenicol in drinking water by UV irradiation, persulfate oxidation, and combined UV/persulfate pre-treatments.

PubMed

Wenhai, Chu; Tengfei, Chu; Erdeng, Du; Deng, Yang; Yingqing, Guo; Naiyun, Gao

2016-02-01

Ultraviolet/persulfate (UV/PS) has been widely used to generate sulfate radicals for degradation of water organic pollutants in previous studies. However, its impacts on disinfection byproduct formation during post-chlorination of degraded compounds is unclear. The objective of this study was to evaluate the impacts of UV irradiation, PS oxidation, and the combined UV/PS advanced oxidation process (AOP) pre-treatments on halomethane formation during the following chlorination of chloramphenicol (CAP), a model antibiotic commonly found in wastewater-impacted water. Results showed that CAP could be transformed to more trichloromethane (TCM) than monochloromethane (MCM) and dichloromethane (DCM) in the presence of excess chlorine. UV photolysis, PS oxidation and UV/PS AOP all directly decomposed CAP to produce halomethanes (HMs) before post-chlorination. Moreover, UV and UV/PS pre-treatments both enhanced the formation of all the HMs in the subsequent chlorination. PS pre-oxidation decreased the TCM formation during post-chlorination, but increased the yields of MCM, DCM and total HMs. UV pre-irradiation significantly increased the bromide utilization of HMs, whereas UV/PS pre-oxidation decreased the bromine incorporation and utilization of HMs from the chlorination of CAP in a low-bromide water. UV irradiation, PS oxidation, and UV/PS AOP can inactivate pathogens and degrade organic pollutants, but this benefit should be weighed against a potential risk of the increased halomethane formation from degraded organic pollutants with and without post-chlorination. Copyright © 2015 Elsevier Inc. All rights reserved.

Analysis and advanced oxidation treatment of a persistent pharmaceutical compound in wastewater and wastewater sludge-carbamazepine.

PubMed

Mohapatra, D P; Brar, S K; Tyagi, R D; Picard, P; Surampalli, R Y

2014-02-01

Pharmaceutically active compounds (PhACs) are considered as emerging environmental problem due to their continuous input and persistence to the aquatic ecosystem even at low concentrations. Among them, carbamazepine (CBZ) has been detected at the highest frequency, which ends up in aquatic systems via wastewater treatment plants (WWTPs) among other sources. The identification and quantification of CBZ in wastewater (WW) and wastewater sludge (WWS) is of major interest to assess the toxicity of treated effluent discharged into the environment. Furthermore, WWS has been subjected for re-use either in agricultural application or for the production of value-added products through the route of bioconversion. However, this field application is disputable due to the presence of these organic compounds and in order to protect the ecosystem or end users, data concerning the concentration, fate, behavior as well as the perspective of simultaneous degradation of these compounds is urgently necessary. Many treatment technologies, including advanced oxidation processes (AOPs) have been developed in order to degrade CBZ in WW and WWS. AOPs are technologies based on the intermediacy of hydroxyl and other radicals to oxidize recalcitrant, toxic and non-biodegradable compounds to various by-products and eventually to inert end products. The purpose of this review is to provide information on persistent pharmaceutical compound, carbamazepine, its ecological effects and removal during various AOPs of WW and WWS. This review also reports the different analytical methods available for quantification of CBZ in different contaminated media including WW and WWS. © 2013 Elsevier B.V. All rights reserved.

Transformation of polyfluorinated compounds in natural waters by advanced oxidation processes.

PubMed

Anumol, Tarun; Dagnino, Sonia; Vandervort, Darcy R; Snyder, Shane A

2016-02-01

The presence of perfluorocarboxylic acids (PFCAs) in source and finished drinking waters is a concern with studies showing bioaccumulation and adverse toxicological effects in wildlife and potentially humans. Per/Polyfluoroalkyl substances (PFAS) such as fluorotelomer alcohols have been identified as precursors for PFCAs in biological pathways. In this study, we investigated the fate of 6:2 and 8:2 homologues of the fluorotelomer unsaturated carboxylic acids (FTUCAs) during advanced oxidation process (AOPs). Results showed 6:2 FTUCA and 8:2 FTUCA transformed into 6-C PFCA (PFHxA) and 8-C PFCA (PFOA) respectively with very little other PFCA formation for all AOPs. The degradation of 6:2 FTUCA and 8:2 FTUCA was greater in the GW compared to SW for the ozone processes but similar for UV/H2O2. The formation of n-C PFCA followed O3>O3/H2O2 at same dose and UV/H2O2 had much lower formation at the doses tested. Non-targeted analysis with the LC-MS-qTOF indicated the production of other PFCAs which contribute to the total mass balance, although no intermediate product was discovered indicating a rapid and direct transformation from the FTUCAs to the PFCAs and/or significant volatilization of intermediates. With the use of AOPs essential to water reuse treatment schemes, this work raises concerns over the risk of potential formation of PFCAs in the treatment and their adverse health effects in finished drinking water. Copyright © 2015 Elsevier Ltd. All rights reserved.

The application of molecular modelling in the safety assessment of chemicals: A case study on ligand-dependent PPARγ dysregulation.

PubMed

Al Sharif, Merilin; Tsakovska, Ivanka; Pajeva, Ilza; Alov, Petko; Fioravanzo, Elena; Bassan, Arianna; Kovarich, Simona; Yang, Chihae; Mostrag-Szlichtyng, Aleksandra; Vitcheva, Vessela; Worth, Andrew P; Richarz, Andrea-N; Cronin, Mark T D

2017-12-01

The aim of this paper was to provide a proof of concept demonstrating that molecular modelling methodologies can be employed as a part of an integrated strategy to support toxicity prediction consistent with the mode of action/adverse outcome pathway (MoA/AOP) framework. To illustrate the role of molecular modelling in predictive toxicology, a case study was undertaken in which molecular modelling methodologies were employed to predict the activation of the peroxisome proliferator-activated nuclear receptor γ (PPARγ) as a potential molecular initiating event (MIE) for liver steatosis. A stepwise procedure combining different in silico approaches (virtual screening based on docking and pharmacophore filtering, and molecular field analysis) was developed to screen for PPARγ full agonists and to predict their transactivation activity (EC 50 ). The performance metrics of the classification model to predict PPARγ full agonists were balanced accuracy=81%, sensitivity=85% and specificity=76%. The 3D QSAR model developed to predict EC 50 of PPARγ full agonists had the following statistical parameters: q 2 cv =0.610, N opt =7, SEP cv =0.505, r 2 pr =0.552. To support the linkage of PPARγ agonism predictions to prosteatotic potential, molecular modelling was combined with independently performed mechanistic mining of available in vivo toxicity data followed by ToxPrint chemotypes analysis. The approaches investigated demonstrated a potential to predict the MIE, to facilitate the process of MoA/AOP elaboration, to increase the scientific confidence in AOP, and to become a basis for 3D chemotype development. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Adverse outcome pathways

EPA Science Inventory

The Systems Toxicology Unit of the European Commission Joint Research Centre (JRC) is strongly committed to development and uptake of AOPs. In coordination with the OECD, the JRC and EPA have collaborated closely in the development of training and outreach materials related to th...

Overview of an internationally-harmonized program for adverse outcome pathway development

EPA Science Inventory

Adverse outcome pathways (AOPs) are critical frameworks for organizing knowledge concerning the scientifically-credible predictive linkages between toxicological observations made at molecular and cellular levels (e.g., via molecular screening assays, biomarker responses, or chem...

Adverse Outcome Pathways: From Definition to Application

EPA Science Inventory

A challenge for both human health and ecological toxicologists is the transparent application of mechanistic (e.g., molecular, biochemical, histological) data to risk assessments. The adverse outcome pathway (AOP) is a conceptual framework designed to meet this need. Specifical...

Taxonomic applicability of inflammatory cytokines in adverse outcome pathway (AOP) development

EPA Science Inventory

Cytokines, low-molecular-weight messenger proteins that act as intercellular immunomodulatory signals, have become a mainstream preclinical marker for assessing the systemic inflammatory response to external stressors. The challenge is to quantitate from healthy subjects cytokine...

Setting the stage to advance the adverse outcome pathway (AOP) framework through horizon scanning

EPA Science Inventory

Recognizing the international interest surrounding the adverse outcome pathway framework, which captures existing information describing causal linkages between a molecular initiating event through levels of biological organization to an adverse outcome of regulatory significance...

AOPs & Biomarkers: Bridging High Throughput Screening and Regulatory Decision Making.

EPA Science Inventory

As high throughput screening (HTS) approaches play a larger role in toxicity testing, computational toxicology has emerged as a critical component in interpreting the large volume of data produced. Computational models for this purpose are becoming increasingly more sophisticated...

Adverse outcome pathway (AOP) development and evaluation

EPA Science Inventory

The Adverse Outcome Pathway provides a construct for assembling mechanistic information at different levels of biological organization in a form designed to support regulatory decision making. In particular, it frames the link between molecular and cellular events that can be mea...

Propiconazole inhibits steroidogenesis and reproduction in the fathead minnow (Pimephales promelas)

EPA Science Inventory

This study assessed effects of the conazole-fungicide propiconazole on endocrine function and reproductive success of the fathead minnow, using an experimental approach based on previously defined adverse outcome pathways (AOPs) for chemicals that inhibit steroidogenesis in fish...

Culvert designs for aquatic organism passage : culvert design practices incorporating sediment transport.

DOT National Transportation Integrated Search

2013-03-01

The design of culverts to accommodate aquatic organism passage (AOP) requires an understanding of organism habitat : requirements, swimming ability and migration needs, as well as an understanding of how a culvert design will perform in a : specific ...

Adverse Outcome Pathways and Extrapolation Tools to Advance the Three Rs in Ecotoxicology

EPA Science Inventory

Adverse outcome pathways (AOPs) are conceptual frameworks for identifying and organizing predictive and causal linkages between cellular-level responses and endpoints conventionally considered in ecological risk assessment (e.g., effects on survival, growth/development, and repro...

Identification of Potential Chemical Carcinogens in Compendia of Gene Expression Profiles

EPA Science Inventory

Chemicals induce cancer through partially characterized adverse outcome pathways (AOPs) that include molecular initiating events (MIEs) and downstream key events (KEs). Microarray profiling of chemical-induced effects is being increasingly used in medium- and high-throughput form...

Computational Integration of Human Genetic Data to Evaluate AOP-Specific Susceptibility

EPA Science Inventory

There is a need for approaches to efficiently evaluate human genetic variability and susceptibility related to environmental chemical exposure. Direct estimation of the genetic contribution to variability in susceptibility to environmental chemicals is only possible in special ca...

RELATIVE REACTIVITY OF CONTAMINANT CANDIDATE LIST PESTICIDES TO OH RADICAL OXIDATION

EPA Science Inventory

Advanced oxidation processes (AOPs) represent those technologies that bring about enhanced oxidative degradation of pollutants in aqueous solution by the generation of hydroxyl radical (•OH). US Environmental Protection Agency (EPA) published, in February 2005, the second Contam...

Strategic approaches to adverse outcome pathway development

EPA Science Inventory

Adverse outcome pathways (AOPs) are conceptual frameworks for organizing biological and toxicological knowledge in a manner that supports extrapolation of data pertaining to the initiation or early progression of toxicity to an apical adverse outcome that occurs at a level of org...

The Tuning of Optical Properties of Nanoscale MOFs-Based Thin Film through Post-Modification.

PubMed

Yin, Wenchang; Tao, Cheng-An; Zou, Xiaorong; Wang, Fang; Qu, Tianlian; Wang, Jianfang

2017-08-29

Optical properties, which determine the application of optical devices in different fields, are the most significant properties of optical thin films. In recent years, Metal-organic framework (MOF)-based optical thin films have attracted increasing attention because of their novel optical properties and important potential applications in optical and photoelectric devices, especially optical thin films with tunable optical properties. This study reports the first example of tuning the optical properties of a MOF-based optical thin film via post-modification. The MOF-based optical thin film was composed of NH₂-MIL-53(Al) nanorods (NRs) (MIL: Materials from Institute Lavoisier), and was constructed via a spin-coating method. Three aldehydes with different lengths of carbon chains were chosen to modify the MOF optical thin film to tune their optical properties. After post-modification, the structural color of the NH₂-MIL-53(Al) thin film showed an obvious change from purple to bluish violet and cyan. The reflection spectrum and the reflectivity also altered in different degrees. The effective refractive index ( n eff ) of MOFs thin film can also be tuned from 1.292 to 1.424 at a wavelength of 750 nm. The success of tuning of the optical properties of MOFs thin films through post-modification will make MOFs optical thin films meet different needs of optical properties in various optical and optoelectronic devices.

The Tuning of Optical Properties of Nanoscale MOFs-Based Thin Film through Post-Modification

PubMed Central

Zou, Xiaorong; Wang, Fang; Qu, Tianlian; Wang, Jianfang

2017-01-01

Optical properties, which determine the application of optical devices in different fields, are the most significant properties of optical thin films. In recent years, Metal-organic framework (MOF)-based optical thin films have attracted increasing attention because of their novel optical properties and important potential applications in optical and photoelectric devices, especially optical thin films with tunable optical properties. This study reports the first example of tuning the optical properties of a MOF-based optical thin film via post-modification. The MOF-based optical thin film was composed of NH2-MIL-53(Al) nanorods (NRs) (MIL: Materials from Institute Lavoisier), and was constructed via a spin-coating method. Three aldehydes with different lengths of carbon chains were chosen to modify the MOF optical thin film to tune their optical properties. After post-modification, the structural color of the NH2-MIL-53(Al) thin film showed an obvious change from purple to bluish violet and cyan. The reflection spectrum and the reflectivity also altered in different degrees. The effective refractive index (neff) of MOFs thin film can also be tuned from 1.292 to 1.424 at a wavelength of 750 nm. The success of tuning of the optical properties of MOFs thin films through post-modification will make MOFs optical thin films meet different needs of optical properties in various optical and optoelectronic devices. PMID:28850057

Advanced Oxidation of Tartrazine and Brilliant Blue with Pulsed Ultraviolet Light Emitting Diodes

PubMed Central

Scott, Robert; Mudimbi, Patrick; Miller, Michael E.; Magnuson, Matthew; Willison, Stuart; Phillips, Rebecca; Harper, Willie F.

2018-01-01

This study investigated the effect of ultraviolet light-emitting diodes (UVLEDs) coupled with hydrogen peroxide as an advanced oxidation process (AOP) for the degradation of two test chemicals. Brilliant Blue FCF consistently exhibited greater degradation than tartrazine, with 83% degradation after 300 minutes at the 100% duty cycle compared with only 17% degradation of tartrazine under the same conditions. These differences are attributable to the structural properties of the compounds. Duty cycle was positively correlated with the first-order rate constants (k) for both chemicals but, interestingly, negatively correlated with the normalized first-order rate constants (k/duty cycle). Synergistic effects of both hydraulic mixing and LED duty cycle were manifested as novel oscillations in the effluent contaminant concentration. Further, LED output and efficiency were dependent upon duty cycle and less efficient over time perhaps due to heating effects on semiconductor performance. PMID:28236826

A theoretical study of hydrodynamic cavitation.

PubMed

Arrojo, S; Benito, Y

2008-03-01

The optimization of hydrodynamic cavitation as an AOP requires identifying the key parameters and studying their effects on the process. Specific simulations of hydrodynamic bubbles reveal that time scales play a major role on the process. Rarefaction/compression periods generate a number of opposing effects which have demonstrated to be quantitatively different from those found in ultrasonic cavitation. Hydrodynamic cavitation can be upscaled and offers an energy efficient way of generating cavitation. On the other hand, the large characteristic time scales hinder bubble collapse and generate a low number of cavitation cycles per unit time. By controlling the pressure pulse through a flexible cavitation chamber design these limitations can be partially compensated. The chemical processes promoted by this technique are also different from those found in ultrasonic cavitation. Properties such as volatility or hydrophobicity determine the potential applicability of HC and therefore have to be taken into account.

Advancing the adverse outcome pathway framework - An international horizon scanning approach (presentation)

EPA Science Inventory

In preparation for a Society of Environmental Toxicology and Chemistry Pellston Workshop titled “Advancing the Adverse Outcome Pathway (AOP) Concept: An International Horizon Scanning Approach,” a horizon scanning effort was undertaken to gather input from the global ...

Developing and applying adverse outcome pathways: What you need to know

EPA Science Inventory

Adverse outcome pathways (AOPs) are a conceptual framework for organizing existing information concerning the predictive linkages between the initiation or early progression of a biological perturbation in an organism and the adverse outcome(s) of regulatory relevance (e.g., impa...

Experimental Approaches to Systematic Discovery and Development of Reproductive Adverse Outcome Pathways in Fish

EPA Science Inventory

Adverse outcome pathways (AOPs) are conceptual frameworks that portray causal and predictive linkages between key events at multiple scales of biological organization that connect molecular initiating events and early cellular perturbations (e.g., initiation of toxicity pathways)...

Adverse outcome pathways (AOPs): A framework to support predictive toxicology

EPA Science Inventory

High throughput and in silico methods are providing the regulatory toxicology community with capacity to rapidly and cost effectively generate data concerning a chemical’s ability to initiate one or more biological perturbations that may culminate in an adverse ecological o...

RELATIVE REACTIVITY OF CONTAMINANT CANDIDATE LIST PESTICIDES TO OH RADICAL OXIDATION ABSTRACT

EPA Science Inventory

Advanced oxidation processes (AOPs) represent those technologies that bring about enhanced oxidative degradation of pollutants in aqueous solution by the generation of hydroxyl radical (•OH). US Environmental Protection Agency (EPA) published, in February 2005, the second Contami...

An Integrative Data Mining Approach to Identify Adverse Outcome Pathway Signatures

EPA Science Inventory

Adverse Outcome Pathways (AOPs) provide a formal framework for describing the mechanisms underlying the toxicity of chemicals in our environment. This process improves our ability to incorporate high-throughput toxicity testing (HTT) results and biomarker information on early key...

Adverse Outcome Pathways – Organizing Toxicological Information to Improve Decision Making

EPA Science Inventory

The number of chemicals for which environmental regulatory decisions are required far exceeds the current capacity for toxicity testing. High throughput screening (HTS) commonly used for drug discovery has the potential to increase this capacity. The adverse outcome pathway (AOP)...

Multiscale modeling and simulation of embryogenesis for in silico predictive toxicology (WC9)

EPA Science Inventory

Translating big data from alternative and HTS platforms into hazard identification and risk assessment is an important need for predictive toxicology and for elucidating adverse outcome pathways (AOPs) in developmental toxicity. Understanding how chemical disruption of molecular ...

Towards Building an AOP-based Prenatal Developmental Toxicity Ontology (SOT)

EPA Science Inventory

Retinoid signaling plays an important role in embryo-fetal development and its disruption is broadly teratogenic. The retinoic acid (RA) pathway includes elements in retinoid metabolism and nuclear receptor (RAR, RXR) activation and thus serves as an excellent prototype for adver...

Informatics approaches in the Biological Characterization of Adverse Outcome Pathways

EPA Science Inventory

Adverse Outcome Pathways (AOPs) are a conceptual framework to characterize toxicity pathways by a series of mechanistic steps from a molecular initiating event to population outcomes. This framework helps to direct risk assessment research, for example by aiding in computational ...

Computational Integration of Human Genetic and Toxicological Data to Evaluate AOP-Specific Susceptibility

EPA Science Inventory

Susceptibility to environmental chemicals can be modulated by genetic differences. Direct estimation of the genetic contribution to variability in susceptibility to environmental chemicals is only possible in special cases where there is an observed association between exposure a...

Virtual Embryo: Cell-Agent Based Modeling of Developmental Processes and Toxicities (CSS BOSC)

EPA Science Inventory

Spatial regulation of cellular dynamics is fundamental to morphological development. As such, chemical disruption of spatial dynamics is a determinant of developmental toxicity. Incorporating spatial dynamics into AOPs for developmental toxicity is desired but constrained by the ...

Adverse Outcome Pathway (AOP) framework for embryonic vascular disruption and developmental defects (SOT)

EPA Science Inventory

Vascular development commences with de novo assembly of a primary capillary plexus (vasculogenesis) followed by its expansion (angiogenesis) and maturation (angio-adaptation) into a hierarchical system of arteries and veins. These processes are tightly regulated by genetic signal...

Modular Advanced Oxidation Process Enabled by Cathodic Hydrogen Peroxide Production

PubMed Central

2015-01-01

Hydrogen peroxide (H2O2) is frequently used in combination with ultraviolet (UV) light to treat trace organic contaminants in advanced oxidation processes (AOPs). In small-scale applications, such as wellhead and point-of-entry water treatment systems, the need to maintain a stock solution of concentrated H2O2 increases the operational cost and complicates the operation of AOPs. To avoid the need for replenishing a stock solution of H2O2, a gas diffusion electrode was used to generate low concentrations of H2O2 directly in the water prior to its exposure to UV light. Following the AOP, the solution was passed through an anodic chamber to lower the solution pH and remove the residual H2O2. The effectiveness of the technology was evaluated using a suite of trace contaminants that spanned a range of reactivity with UV light and hydroxyl radical (HO•) in three different types of source waters (i.e., simulated groundwater, simulated surface water, and municipal wastewater effluent) as well as a sodium chloride solution. Irrespective of the source water, the system produced enough H2O2 to treat up to 120 L water d–1. The extent of transformation of trace organic contaminants was affected by the current density and the concentrations of HO• scavengers in the source water. The electrical energy per order (EEO) ranged from 1 to 3 kWh m–3, with the UV lamp accounting for most of the energy consumption. The gas diffusion electrode exhibited high efficiency for H2O2 production over extended periods and did not show a diminution in performance in any of the matrices. PMID:26039560

Cardiac resynchronization therapy and atrial overdrive pacing for the treatment of central sleep apnoea

PubMed Central

Lüthje, Lars; Renner, Bernd; Kessels, Roger; Vollmann, Dirk; Raupach, Tobias; Gerritse, Bart; Tasci, Selcuk; Schwab, Jörg O.; Zabel, Markus; Zenker, Dieter; Schott, Peter; Hasenfuss, Gerd; Unterberg-Buchwald, Christina; Andreas, Stefan

2009-01-01

Aims The combined therapeutic impact of atrial overdrive pacing (AOP) and cardiac resynchronization therapy (CRT) on central sleep apnoea (CSA) in chronic heart failure (CHF) so far has not been investigated. We aimed to evaluate the effect of CRT alone and CRT + AOP on CSA in CHF patients and to compare the influence of CRT on CHF between CSA positive and CSA negative patients. Methods and results Thirty patients with CRT indication underwent full night polysomnography, echocardiography, exercise testing, and neurohumoral evaluation before and 3 months after CRT implantation. In CSA positive patients (60%), two additional sleep studies were conducted after 3 months of CRT, with CRT alone or CRT + AOP, in random order. Cardiac resynchronization therapy resulted in significant improvements of NYHA class, left ventricular ejection fraction, N-terminal pro-brain natriuretic peptide, VO2max, and quality of life irrespective of the presence of CSA. Cardiac resynchronization therapy also reduced the central apnoea–hypopnoea index (AHI) (33.6 ± 14.3 vs. 23.8 ± 16.9 h−1; P < 0.01) and central apnoea index (17.3 ± 14.1 vs. 10.9 ± 13.9 h−1; P < 0.01) without altering sleep stages. Cardiac resynchronization therapy with atrial overdrive pacing resulted in a small but significant additional decrease of the central AHI (23.8 ± 16.9 vs. 21.5 ± 16.9 h−1; P < 0.01). Conclusion In this study, CRT significantly improved CSA without altering sleep stages. Cardiac resynchronization therapy with atrial overdrive pacing resulted in a significant but minor additional improvement of CSA. Positive effects of CRT were irrespective of the presence of CSA. PMID:19147446

The decolorization and mineralization of acid orange 6 azo dye in aqueous solution by advanced oxidation processes: a comparative study.

PubMed

Hsing, Hao-Jan; Chiang, Pen-Chi; Chang, E-E; Chen, Mei-Yin

2007-03-06

The comparison of different advanced oxidation processes (AOPs), i.e. ultraviolet (UV)/TiO(2), O(3), O(3)/UV, O(3)/UV/TiO(2), Fenton and electrocoagulation (EC), is of interest to determine the best removal performance for the destruction of the target compound in an Acid Orange 6 (AO6) solution, exploring the most efficient experimental conditions as well; on the other hand, the results may provide baseline information of the combination of different AOPs in treating industrial wastewater. The following conclusions can be drawn: (1) in the effects of individual and combined ozonation and photocatalytic UV irradiation, both O(3)/UV and O(3)/UV/TiO(2) processes exhibit remarkable TOC removal capability that can achieve a 65% removal efficiency at pH 7 and O(3) dose=45mg/L; (2) the optimum pH and ratio of [H(2)O(2)]/[Fe(2+)] found for the Fenton process, are pH 4 and [H(2)O(2)]/[Fe(2+)]=6.58. The optimum [H(2)O(2)] and [Fe(2+)] under the same HF value are 58.82 and 8.93mM, respectively; (3) the optimum applied voltage found in the EC experiment is 80V, and the initial pH will affect the AO6 and TOC removal rates in that acidic conditions may be favorable for a higher removal rate; (4) the AO6 decolorization rate ranking was obtained in the order of O(3)

Selecting the best AOP for isoxazolyl penicillins degradation as a function of water characteristics: Effects of pH, chemical nature of additives and pollutant concentration.

PubMed

Villegas-Guzman, Paola; Silva-Agredo, Javier; Florez, Oscar; Giraldo-Aguirre, Ana L; Pulgarin, Cesar; Torres-Palma, Ricardo A

2017-04-01

To provide new insights toward the selection of the most suitable AOP for isoxazolyl penicillins elimination, the degradation of dicloxacillin, a isoxazolyl penicillin model, was studied using different advanced oxidation processes (AOPs): ultrasound (US), photo-Fenton (UV/H 2 O 2 /Fe 2+ ) and TiO 2 photocatalysis (UV/TiO 2 ). Although all processes achieved total removal of the antibiotic and antimicrobial activity, and increased the biodegradability level of the solutions, significant differences concerning the mineralization extend, the pH of the solution, the pollutant concentration and the chemical nature of additives were found. UV/TiO 2 reached almost complete mineralization; while ∼10% mineralization was obtained for UV/H 2 O 2 /Fe 2+ and practically zero for US. Effect of initial pH, mineral natural water and the presence of organic (glucose, 2-propanol and oxalic acid) were then investigated. UV/H 2 O 2 /Fe 2+ and US processes were improved in acidic media, while natural pH favored UV/TiO 2 system. According to both the nature of the added organic compound and the process, inhibition, no effect or enhancement of the degradation rate was observed. The degradation in natural mineral water showed contrasting results according to the antibiotic concentration: US process was enhanced at low concentration of dicloxacillin followed by detrimental effects at high substrate concentrations. A contrary effect was observed during photo-Fenton, while UV/TiO 2 was inhibited in all of cases. Finally, a schema illustrating the enhancement or inhibiting effects of water matrix is proposed as a tool for selecting the best process for isoxazolyl penicillins degradation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Characterization on Smart Optics Using Ellipsometry

NASA Technical Reports Server (NTRS)

Song, Kyo D.

2002-01-01

Recently, NASA Langley Research Center developed a smart active optical concept to filter narrow band pass or to control optical intensity. To characterize developed smart optics materials, we have measured thickness and reflection properties of the materials using a WVASE32 ellipsometry. This project allowed us to: (1) prepare the smart optical materials for measurement of thickness and optical properties at NASA Langley Research Center; (2) measure thickness and optical properties of the smart optical materials; (3) evaluate the measured properties in terms of applications for narrow band-pass filters. The outcomes of this research provide optical properties and physical properties of the smart optics on a selected spectral range. The applications of this development were used for field-controlled spectral smart filters.

Identifying Candidate Chemical-Disease Linkages (Environmental and Epigenetic Determinants of IBD)

EPA Science Inventory

Presentation at meeting on Environmental and Epigenetic Determinants of IBD in New York, NY on identifying candidate chemical-disease linkages by using AOPs to identify molecular initiating events and using relevant high throughput assays to screen for candidate chemicals. This h...

A Quantative Adverse Outcome Pathway Linking Aromatase Inhibition in Fathead Minnows with Population Dynamics

EPA Science Inventory

A Quantitative Adverse Outcome Pathway Linking Aromatase Inhibition in Fathead Minnows with Population DynamicsAn adverse outcome pathway (AOP) is a qualitative description linking a molecular initiating event (MIE) with measureable key events leading to an adverse outcome (AO). ...

Development of an adverse outcome pathway for acetylcholinesterase inhibition leading to acute mortality

EPA Science Inventory

Adverse outcome pathways (AOPs) are designed to describe linkages of key events (KEs) within a biological pathway that result in an adverse outcome associated with chemical perturbation of a well-defined molecular initiating event (MIE). Risk assessors have traditionally relied ...

Development of a Novel Quantitative Adverse Outcome Pathway Predictive Model for Lung Cancer

EPA Science Inventory

Traditional methods for carcinogenicity testing are resource-intensive, retrospective, and time consuming. An increasing testing burden has generated interest in the adverse outcome pathway (AOP) concept as a tool to evaluate chemical safety in a more efficient, rapid and effecti...

AOP description: Androgen receptor agonism leading to reproductive dysfunction (in fish)

EPA Science Inventory

This adverse outcome pathway details the linkage between binding and activation of androgen receptor as a nuclear transcription factor in females and the adverse effect of reduced cumulative fecundity in repeat-spawning fish species. Cumulative fecundity is the most apical endpoi...

AOP description: ER antagonism leading to reproductive dysfunction (in fish)

EPA Science Inventory

This adverse outcome pathway details the linkage between antagonism of estrogen receptor in females and the adverse effect of reduced cumulative fecundity in repeat-spawning fish species. Cumulative fecundity is the most apical endpoint considered in the OECD 229 Fish Short Term ...

AOP description: Aromatase inhibition leading to reproductive dysfunction (in fish)

EPA Science Inventory

This adverse outcome pathway details the linkage between inhibition of gonadal aromatase activity in females and the adverse effect of reduced cumulative fecundity in repeat-spawning fish species. Cumulative fecundity is the most apical endpoint considered in the OECD 229 Fish Sh...

Exposure Assessments and Toxicology in the 21st Century

EPA Science Inventory

It is widely recognized that the hazard and dose response portions of chemical risk assessments are being transformed by the availability of Adverse Outcome Pathways (AOPs) and in vitro and in silico data on biological activity. This transformation is also changing the exposure a...

Integrating publicly-available data to generate computationally-predicted adverse outcome pathways for hepatic steatosis

EPA Science Inventory

The adverse outcome pathway (AOP) framework provides a way of organizing knowledge related to the key biological events that result in a particular health outcome. For the majority of environmental chemicals, the availability of curated pathways characterizing potential toxicity ...

Adverse outcome pathways (AOPs): A framework to support predictive toxicology (presentation)

EPA Science Inventory

High throughput and in silico methods are providing the regulatory toxicology community with capacity to rapidly and cost effectively generate data concerning a chemical’s ability to initiate one or more biological perturbations that may culminate in an adverse ecological o...

48 CFR 609.405-70 - Termination action decision.

Code of Federal Regulations, 2010 CFR

2010-10-01

...) For overseas posts, A/OPE. (b) Termination for default. Termination for default under a contract's default clause is appropriate when the circumstances giving rise to the debarment or suspension also constitute a default in the contractor's performance of that contract. Debarment or suspension of the...

Towards Building an AOP-based Prenatal Developmental Toxicity Ontology (CEFIC LRI Workshop - Brussels)

EPA Science Inventory

Ontologies are a way to formalize domain-specific scientific knowledge. A developmental ontology would help researchers describe the pathways and processes critical to embryonic development and provide a way to link their chemical disruption to adverse outcomes. Designing one for...

Use of an Adverse Outcome Pathway for Hepatic Steatosis to Build Chemical Groups

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework systematically documents the mechanisms underlying effects of chemicals starting with the initial interaction of chemicals with the biological system, i.e. the molecular initiating event (MIE). Chemical activity in assays designed to mo...

AOP-informed assessment of endocrine disruption in freshwater crustaceans

EPA Science Inventory

To date, most research focused on developing more efficient and cost effective methods to predict toxicity have focused on human biology. However, there is also a need for effective high throughput tools to predict toxicity to other species that perform critical ecosystem functio...

AOPs and Biomarkers: Bridging High Throughput Screening and Regulatory Decision Making

EPA Science Inventory

As high throughput screening (HTS) plays a larger role in toxicity testing, camputational toxicology has emerged as a critical component in interpreting the large volume of data produced. Computational models designed to quantify potential adverse effects based on HTS data will b...

The adverse outcome pathway: A multifaceted framework supporting 21st century toxicology

EPA Science Inventory

The adverse outcome pathway (AOP) framework serves as a knowledge assembly, interpretation, and communication tool designed to support the translation of pathway-specific mechanistic data into responses relevant to assessing and managing risks of chemicals to human health and the...

Defining a Computational Framework for the Assessment of Taxonomic Applicability

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework describes the effects of environmental stressors across multiple scales of biological organization and function. This includes an evaluation of the potential for each key event to occur across a broad range of species in order to determ...

A tiered approach to evaluate an iodine recycling inhibition adverse outcome pathway (AOP) in amphibians

EPA Science Inventory

The enzyme iodotyrosine deiodinase (dehalogenase, IYD) catalyzes iodide recycling and promotes iodide retention in thyroid follicular cells. Loss of function or chemical inhibition of IYD reduces thyroid hormone synthesis, which leads to insufficiency in tissues and subsequent ne...

Constructing Adverse Outcome Pathways: a Demonstration of an Ontology-based Semantics Mapping Approach

EPA Science Inventory

Adverse outcome pathway (AOP) provides a conceptual framework to evaluate and integrate chemical toxicity and its effects across the levels of biological organization. As such, it is essential to develop a resource-efficient and effective approach to extend molecular initiating ...

Computational Embryology and Predictive Toxicology of Hypospadias (SOT)

EPA Science Inventory

Hypospadias, one of the most common birth defects in human male infants, is a condition in which the urethral opening is misplaced along ventral aspect of the penis. We developed an Adverse Outcome Pathway (AOP) framework and computer simulation that describes the pathogenesis of...

Variation of glucosinolates and quinone reductase activity among different varieties of Chinese kale and improvement of glucoraphanin by metabolic engineering.

PubMed

Qian, Hongmei; Sun, Bo; Miao, Huiying; Cai, Congxi; Xu, Chaojiong; Wang, Qiaomei

2015-02-01

The variation of glucosinolates and quinone reductase (QR) activity in fourteen varieties of Chinese kale (Brassica oleracea var. alboglabra Bailey) was investigated in the present study. Results showed that gluconapin (GNA), instead of glucoraphanin (GRA), was the most predominant glucosinolate in all varieties, and QR activity was remarkably positively correlated with the glucoraphanin level. AOP2, a tandem 2-oxoglutarate-dependent dioxygenase, catalyzes the conversion of glucoraphanin to gluconapin in glucosinolate biosynthesis. Here, antisense AOP2 was transformed into Gailan-04, the variety with the highest gluconapin content and ratio of GNA/GRA. The glucoraphanin content and corresponding QR activity were notably increased in transgenic plants, while no significant difference at the level of other main nutritional compounds (total phenolics, vitamin C, carotenoids and chlorophyll) was observed between the transgenic lines and the wide-type plants. Taken together, metabolic engineering is a good practice for improvement of glucoraphanin in Chinese kale. Copyright © 2014 Elsevier Ltd. All rights reserved.

Expansion of the gateway multisite recombination cloning toolkit.

PubMed

Shearin, Harold K; Dvarishkis, Alisa R; Kozeluh, Craig D; Stowers, R Steven

2013-01-01

Precise manipulation of transgene expression in genetic model organisms has led to advances in understanding fundamental mechanisms of development, physiology, and genetic disease. Transgene construction is, however, a precondition of transgene expression, and often limits the rate of experimental progress. Here we report an expansion of the modular Gateway MultiSite recombination-cloning platform for high efficiency transgene assembly. The expansion includes two additional destination vectors and entry clones for the LexA binary transcription system, among others. These new tools enhance the expression levels possible with Gateway MultiSite generated transgenes and make possible the generation of LexA drivers and reporters with Gateway MultiSite cloning. In vivo data from transgenic Drosophila functionally validating each novel component are presented and include neuronal LexA drivers, LexAop2 red and green fluorescent synaptic vesicle reporters, TDC2 and TRH LexA, GAL4, and QF drivers, and LexAop2, UAS, and QUAS channelrhodopsin2 T159C reporters.

Expansion of the Gateway MultiSite Recombination Cloning Toolkit

PubMed Central

Shearin, Harold K.; Dvarishkis, Alisa R.; Kozeluh, Craig D.; Stowers, R. Steven

2013-01-01

Precise manipulation of transgene expression in genetic model organisms has led to advances in understanding fundamental mechanisms of development, physiology, and genetic disease. Transgene construction is, however, a precondition of transgene expression, and often limits the rate of experimental progress. Here we report an expansion of the modular Gateway MultiSite recombination-cloning platform for high efficiency transgene assembly. The expansion includes two additional destination vectors and entry clones for the LexA binary transcription system, among others. These new tools enhance the expression levels possible with Gateway MultiSite generated transgenes and make possible the generation of LexA drivers and reporters with Gateway MultiSite cloning. In vivo data from transgenic Drosophila functionally validating each novel component are presented and include neuronal LexA drivers, LexAop2 red and green fluorescent synaptic vesicle reporters, TDC2 and TRH LexA, GAL4, and QF drivers, and LexAop2, UAS, and QUAS channelrhodopsin2 T159C reporters. PMID:24204935

Metal-free carbon materials-catalyzed sulfate radical-based advanced oxidation processes: A review on heterogeneous catalysts and applications.

PubMed

Zhao, Qingxia; Mao, Qiming; Zhou, Yaoyu; Wei, Jianhong; Liu, Xiaocheng; Yang, Junying; Luo, Lin; Zhang, Jiachao; Chen, Hong; Chen, Hongbo; Tang, Lin

2017-12-01

In recent years, advanced oxidation processes (AOPs), especially sulfate radical based AOPs have been widely used in various fields of wastewater treatment due to their capability and adaptability in decontamination. Recently, metal-free carbon materials catalysts in sulfate radical production has been more and more concerned because these materials have been demonstrated to be promising alternatives to conventional metal-based catalysts, but the review of metal-free catalysts is rare. The present review outlines the current state of knowledge on the generation of sulfate radical using metal-free catalysts including carbon nanotubes, graphene, mesoporous carbon, activated carbon, activated carbon fiber, nanodiamond. The mechanism such as the radical pathway and non-radical pathway, and factors influencing of the activation of sulfate radical was also be revealed. Knowledge gaps and research needs have been identified, which include the perspectives on challenges related to metal-free catalyst, heterogeneous metal-free catalyst/persulfate systems and their potential in practical environmental remediation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Advanced oxidation treatment of pulp mill effluent for TOC and toxicity removals.

PubMed

Catalkaya, Ebru Cokay; Kargi, Fikret

2008-05-01

Pulp mill effluent was treated by different advanced oxidation processes (AOPs) consisting of UV, UV/H2O2, TiO2-assisted photo-catalysis (UV/TiO2) and UV/H2O2/TiO2 in lab-scale reactors for total organic carbon (TOC) and toxicity removals. Effects of some operating parameters such as the initial pH, oxidant and catalyst concentrations on TOC and toxicity removals were investigated. Almost every method resulted in some degree of TOC and toxicity removal from the pulp mill effluent. However, the TiO2-assisted photo-catalysis (UV/TiO2) resulted in the highest TOC and toxicity removals under alkaline conditions when compared with the other AOPs tested. Approximately, 79.6% TOC and 94% toxicity removals were obtained by the TiO2-assisted photo-catalysis (UV/TiO2) with a titanium dioxide concentration of 0.75gl(-1) at pH 11 within 60min.

A systematic evaluation of the potential effects of trichloroethylene exposure on cardiac development.

PubMed

Makris, Susan L; Scott, Cheryl Siegel; Fox, John; Knudsen, Thomas B; Hotchkiss, Andrew K; Arzuaga, Xabier; Euling, Susan Y; Powers, Christina M; Jinot, Jennifer; Hogan, Karen A; Abbott, Barbara D; Hunter, E Sidney; Narotsky, Michael G

2016-10-01

The 2011 EPA trichloroethylene (TCE) IRIS assessment, used developmental cardiac defects from a controversial drinking water study in rats (Johnson et al. [51]), along with several other studies/endpoints to derive reference values. An updated literature search of TCE-related developmental cardiac defects was conducted. Study quality, strengths, and limitations were assessed. A putative adverse outcome pathway (AOP) construct was developed to explore key events for the most commonly observed cardiac dysmorphologies, particularly those involved with epithelial-mesenchymal transition (EMT) of endothelial origin (EndMT); several candidate pathways were identified. A hypothesis-driven weight-of-evidence analysis of epidemiological, toxicological, in vitro, in ovo, and mechanistic/AOP data concluded that TCE has the potential to cause cardiac defects in humans when exposure occurs at sufficient doses during a sensitive window of fetal development. The study by Johnson et al. [51] was reaffirmed as suitable for hazard characterization and reference value derivation, though acknowledging study limitations and uncertainties. Published by Elsevier Inc.

Inhibition of Human Vascular NADPH Oxidase by Apocynin Derived Oligophenols

PubMed Central

Mora-Pale, Mauricio; Weïwer, Michel; Yu, Jingjing; Linhardt, Robert J.; Dordick, Jonathan S.

2009-01-01

Enzymatic oxidation of apocynin, which may mimic in vivo metabolism, affords a large number of oligomers (apocynin oxidation products, AOP) that inhibit vascular NADPH oxidase. In vitro studies of NADPH oxidase activity were performed to identify active inhibitors, resulting in a trimer hydroxylated quinone (IIIHyQ) that inhibited NADPH oxidase with an IC50 = 31 nM. Apocynin itself possessed minimal inhibitory activity. NADPH oxidase is believed to be inhibited through prevention of the interaction between two NADPH oxidase subunits, p47phox and p22phox. To that end, while apocynin was unable to block the interaction of his-tagged p47phox with a surface immobilized biotinalyted p22phox peptide, the IIIHyQ product strongly interfered with this interaction (apparent IC50 = 1.6 μM). These results provide evidence that peroxidase-catalyzed AOP, which consist of oligomeric phenols and quinones, inhibit critical interactions that are involved in the assembly and activation of human vascular NADPH oxidase. PMID:19523836

Removal of natural organic matter from drinking water by advanced oxidation processes.

PubMed

Matilainen, Anu; Sillanpää, Mika

2010-06-01

Over the past 10-20years the amount of the natural organic matter (NOM) has been increased in raw water supplies on several areas. The presence of NOM causes many problems in drinking water treatment processes, including: (i) negative effect on water quality by colour, taste and odor problems, (ii) increased coagulant and disinfectant dose requirements (which in turn results increased sludge and potential harmful disinfection by-product formation), (iii) promoted biological growth in distribution system, and (iv) increased levels of complexed heavy metals and adsorbed organic pollutants. Thus, more efficient methods for the removal of NOM have emerged. Among these are advanced oxidation processes (AOPs). These include O(3)/H(2)O(2), O(3)/UV, UV/H(2)O(2), TiO(2)/UV, H(2)O(2)/catalyst, Fenton and photo-Fenton prosesses as well as ultrasound. In the present work, an overview of the recent research studies dealing with AOP methods for the removal of NOM and related compounds from drinking water is presented.

Water depollution using metal-organic frameworks-catalyzed advanced oxidation processes: A review.

PubMed

Sharma, Virender K; Feng, Mingbao

2017-09-28

This paper presents a review on the environmental applications of metal-organic frameworks (MOFs), which are inorganic-organic hybrid highly porous crystalline materials, prepared from metal ion/clusters and multidentate organic ligands. The emphases are made on the enhancement of the performance of advanced oxidation processes (AOPs) (photocatalysis, Fenton reaction methods, and sulfate radical (SO 4 - )-mediated oxidations) using MOFs materials. MOFs act as adsorption and light absorbers, leading to superior performance of photocatalytic processes. More recent examples of photocatalytic degradation of dyes are presented. Additionally, it is commonly shown that Fe-based MOFs exhibited excellent catalytic performance on the Fenton-based and SO 4 •- -mediated oxidations of organic pollutants (e.g., dyes, phenol and pharmaceuticals). The significantly enhanced generation of reactive species such as OH and/or SO 4 - by both homogeneous and heterogeneous catalysis was proposed as the possible mechanism for water depollution. Based on the existing literature, the challenge and future perspectives in MOF-based AOPs are addressed. Copyright © 2017 Elsevier B.V. All rights reserved.

Comparison of different advanced degradation processes for the removal of the pharmaceutical compounds diclofenac and carbamazepine from liquid solutions.

PubMed

Capodaglio, Andrea G; Bojanowska-Czajka, Anna; Trojanowicz, Marek

2018-04-18

Carbamazepine and diclofenac are two examples of drugs with widespread geographical and environmental media proliferation that are poorly removed by traditional wastewater treatment processes. Advanced oxidation processes (AOPs) have been proposed as alternative methods to remove these compounds in solution. AOPs are based on a wide class of powerful technologies, including UV radiation, ozone, hydrogen peroxide, Fenton process, catalytic wet peroxide oxidation, heterogeneous photocatalysis, electrochemical oxidation and their combinations, sonolysis, and microwaves applicable to both water and wastewater. Moreover, processes rely on the production of oxidizing radicals (•OH and others) in a solution to decompose present pollutants. Water radiolysis-based processes, which are an alternative to the former, involve the use of concentrated energy (beams of accelerated electrons or γ-rays) to split water molecules, generating strong oxidants and reductants (radicals) at the same time. In this paper, the degradation of carbamazepine and diclofenac by means of all these processes is discussed and compared. Energy and byproduct generation issues are also addressed.

Integration of membrane separation and Fenton processes for sanitary landfill leachate treatment.

PubMed

Santos, Amanda Vitória; Andrade, Laura Hamdan de; Amaral, Míriam Cristina Santos; Lange, Liséte Celina

2018-04-06

The appropriate treatment of sanitary landfill leachate is one of the greatest challenges nowadays due to the large volumes of solid waste generated. Thus, the aim of this study is to evaluate the performance of different routes involving the integration of advanced oxidation processes based on Fenton's reagents (AOP-Fenton) and microfiltration (MF) and nanofiltration (NF) membrane processes for the treatment of landfill leachate. MF module configuration (submerged or sidestream) and MF and NF recovery rate were evaluated. The combination of AOP-Fenton, MF and NF proved to be an effective treatment for landfill leachate. High removal efficiencies of chemical oxidation demand (94-96%) and colour (96-99%) were obtained. The configuration named route 3, composed of MF of raw landfill leachate (MF1), POA-Fenton-MF2 of the MF1 concentrate and NF of both MF1 and MF2 permeates, showed a higher global water recovery and was responsible for lower waste generation. It was considered the best one in terms of environmental, technical and economical aspects.

Embryonic vascular disruption adverse outcomes: Linking high-throughput signaling signatures with functional consequences.

PubMed

Ellis-Hutchings, Robert G; Settivari, Raja S; McCoy, Alene T; Kleinstreuer, Nicole; Franzosa, Jill; Knudsen, Thomas B; Carney, Edward W

2017-04-13

Embryonic vascular disruption is an important adverse outcome pathway (AOP) as chemical disruption of cardiovascular development induces broad prenatal defects. High-throughput screening (HTS) assays aid AOP development although linking in vitro data to in vivo apical endpoints remains challenging. This study evaluated two anti-angiogenic agents, 5HPP-33 and TNP-470, across the ToxCastDB HTS assay platform and anchored the results to complex in vitro functional assays: the rat aortic explant assay (AEA), rat whole embryo culture (WEC), and the zebrafish embryotoxicity (ZET) assay. Both were identified as putative vascular disruptive compounds (pVDCs) in ToxCastDB and disrupted angiogenesis and embryogenesis in the functional assays. Differences were observed in potency and adverse effects: 5HPP-33 was embryolethal (WEC and ZET); TNP-470 produced caudal defects at lower concentrations. This study demonstrates how a tiered approach using HTS signatures and complex functional in vitro assays might be used to prioritize further in vivo developmental toxicity testing. Copyright © 2017 Elsevier Inc. All rights reserved.

Embryonic vascular disruption adverse outcomes: Linking high throughput signaling signatures with functional consequences.

PubMed

Ellis-Hutchings, Robert G; Settivari, Raja S; McCoy, Alene T; Kleinstreuer, Nicole; Franzosa, Jill; Knudsen, Thomas B; Carney, Edward W

2017-06-01

Embryonic vascular disruption is an important adverse outcome pathway (AOP) as chemical disruption of cardiovascular development induces broad prenatal defects. High throughput screening (HTS) assays aid AOP development although linking in vitro data to in vivo apical endpoints remains challenging. This study evaluated two anti-angiogenic agents, 5HPP-33 and TNP-470, across the ToxCastDB HTS assay platform and anchored the results to complex in vitro functional assays: the rat aortic explant assay (AEA), rat whole embryo culture (WEC), and the zebrafish embryotoxicity (ZET) assay. Both were identified as putative vascular disruptive compounds (pVDCs) in ToxCastDB and disrupted angiogenesis and embryogenesis in the functional assays. Differences were observed in potency and adverse effects: 5HPP-33 was embryolethal (WEC and ZET); TNP-470 produced caudal defects at lower concentrations. This study demonstrates how a tiered approach using HTS signatures and complex functional in vitro assays might be used to prioritize further in vivo developmental toxicity testing. Copyright © 2017 Elsevier Inc. All rights reserved.

Nano-risk Science: application of toxicogenomics in an adverse outcome pathway framework for risk assessment of multi-walled carbon nanotubes.

PubMed

Labib, Sarah; Williams, Andrew; Yauk, Carole L; Nikota, Jake K; Wallin, Håkan; Vogel, Ulla; Halappanavar, Sabina

2016-03-15

A diverse class of engineered nanomaterials (ENMs) exhibiting a wide array of physical-chemical properties that are associated with toxicological effects in experimental animals is in commercial use. However, an integrated framework for human health risk assessment (HHRA) of ENMs has yet to be established. Rodent 2-year cancer bioassays, clinical chemistry, and histopathological endpoints are still considered the 'gold standard' for detecting substance-induced toxicity in animal models. However, the use of data derived from alternative toxicological tools, such as genome-wide expression profiling and in vitro high-throughput assays, are gaining acceptance by the regulatory community for hazard identification and for understanding the underlying mode-of-action. Here, we conducted a case study to evaluate the application of global gene expression data in deriving pathway-based points of departure (PODs) for multi-walled carbon nanotube (MWCNT)-induced lung fibrosis, a non-cancer endpoint of regulatory importance. Gene expression profiles from the lungs of mice exposed to three individual MWCNTs with different physical-chemical properties were used within the framework of an adverse outcome pathway (AOP) for lung fibrosis to identify key biological events linking MWCNT exposure to lung fibrosis. Significantly perturbed pathways were categorized along the key events described in the AOP. Benchmark doses (BMDs) were calculated for each perturbed pathway and were used to derive transcriptional BMDs for each MWCNT. Similar biological pathways were perturbed by the different MWCNT types across the doses and post-exposure time points studied. The pathway BMD values showed a time-dependent trend, with lower BMDs for pathways perturbed at the earlier post-exposure time points (24 h, 3d). The transcriptional BMDs were compared to the apical BMDs derived by the National Institute for Occupational Safety and Health (NIOSH) using alveolar septal thickness and fibrotic lesions endpoints. We found that regardless of the type of MWCNT, the BMD values for pathways associated with fibrosis were 14.0-30.4 μg/mouse, which are comparable to the BMDs derived by NIOSH for MWCNT-induced lung fibrotic lesions (21.0-27.1 μg/mouse). The results demonstrate that transcriptomic data can be used to as an effective mechanism-based method to derive acceptable levels of exposure to nanomaterials in product development when epidemiological data are unavailable.

Integrated decision strategies for skin sensitization hazard.

PubMed

Strickland, Judy; Zang, Qingda; Kleinstreuer, Nicole; Paris, Michael; Lehmann, David M; Choksi, Neepa; Matheson, Joanna; Jacobs, Abigail; Lowit, Anna; Allen, David; Casey, Warren

2016-09-01

One of the top priorities of the Interagency Coordinating Committee for the Validation of Alternative Methods (ICCVAM) is the identification and evaluation of non-animal alternatives for skin sensitization testing. Although skin sensitization is a complex process, the key biological events of the process have been well characterized in an adverse outcome pathway (AOP) proposed by the Organisation for Economic Co-operation and Development (OECD). Accordingly, ICCVAM is working to develop integrated decision strategies based on the AOP using in vitro, in chemico and in silico information. Data were compiled for 120 substances tested in the murine local lymph node assay (LLNA), direct peptide reactivity assay (DPRA), human cell line activation test (h-CLAT) and KeratinoSens assay. Data for six physicochemical properties, which may affect skin penetration, were also collected, and skin sensitization read-across predictions were performed using OECD QSAR Toolbox. All data were combined into a variety of potential integrated decision strategies to predict LLNA outcomes using a training set of 94 substances and an external test set of 26 substances. Fifty-four models were built using multiple combinations of machine learning approaches and predictor variables. The seven models with the highest accuracy (89-96% for the test set and 96-99% for the training set) for predicting LLNA outcomes used a support vector machine (SVM) approach with different combinations of predictor variables. The performance statistics of the SVM models were higher than any of the non-animal tests alone and higher than simple test battery approaches using these methods. These data suggest that computational approaches are promising tools to effectively integrate data sources to identify potential skin sensitizers without animal testing. Published 2016. This article has been contributed to by US Government employees and their work is in the public domain in the USA. Published 2016. This article has been contributed to by US Government employees and their work is in the public domain in the USA.

Modeling the pH and temperature dependence of aqueousphase hydroxyl radical reaction rate constants of organic micropollutants using QSPR approach.

PubMed

Gupta, Shikha; Basant, Nikita

2017-11-01

Designing of advanced oxidation process (AOP) requires knowledge of the aqueous phase hydroxyl radical ( ● OH) reactions rate constants (k OH ), which are strictly dependent upon the pH and temperature of the medium. In this study, pH- and temperature-dependent quantitative structure-property relationship (QSPR) models based on the decision tree boost (DTB) approach were developed for the prediction of k OH of diverse organic contaminants following the OECD guidelines. Experimental datasets (n = 958) pertaining to the k OH values of aqueous phase reactions at different pH (n = 470; 1.4 × 10 6 to 3.8 × 10 10  M -1  s -1 ) and temperature (n = 171; 1.0 × 10 7 to 2.6 × 10 10  M -1  s -1 ) were considered and molecular descriptors of the compounds were derived. The Sanderson scale electronegativity, topological polar surface area, number of double bonds, and halogen atoms in the molecule, in addition to the pH and temperature, were found to be the relevant predictors. The models were validated and their external predictivity was evaluated in terms of most stringent criteria parameters derived on the test data. High values of the coefficient of determination (R 2 ) and small root mean squared error (RMSE) in respective training (> 0.972, ≤ 0.12) and test (≥ 0.936, ≤ 0.16) sets indicated high generalization and predictivity of the developed QSPR model. Other statistical parameters derived from the training and test data also supported the robustness of the models and their suitability for screening new chemicals within the defined chemical space. The developed QSPR models provide a valuable tool for predicting the ● OH reaction rate constants of emerging new water contaminants for their susceptibility to AOPs.

Development of a tiered screening strategy for a molecular-initiating event: thyroperoxidase inhibition (SOT)

EPA Science Inventory

Adverse outcome pathway (AOP) analyses illustrate that some molecular-initiating events (MIEs) for thyroid disruption, including thyroperoxidase (TPO) inhibition, are not evaluated by current ToxCast/Tox21 high-throughput screening (HTS) assays. A novel HTS assay for TPO inhibiti...

The Artistic Oceanographer Program

ERIC Educational Resources Information Center

Haley, Sheean T.; Dyhrman, Sonya T.

2009-01-01

The Artistic Oceanographer Program (AOP) was designed to engage elementary school students in ocean sciences and to illustrate basic fifth-grade science and art standards with ocean-based examples. The program combines short science lessons, hands-on observational science, and art, and focuses on phytoplankton, the tiny marine organisms that form…

Application of the adverse outcome pathway framework - advances and challenges

EPA Science Inventory

The adverse outcome pathway (AOP) framework, while not new in concept, has gained attention in recent years as a set of organizing principles and tools that can help facilitate greater use of mechanistic or pathway-based data in risk assessment and regulatory decision-making. Reg...

Ensuring long-term utility of the AOP framework and knowledge for multiple stakeholders

EPA Science Inventory

1.Introduction There is a need to increase the development and implementation of predictive approaches to support chemical safety assessment. These predictive approaches feature generation of data from tools such as computational models, pathway-based in vitro assays, and short-t...

Use of the adverse outcome pathway framework to represent cross-species consequences of specific pathway perturbations

EPA Science Inventory

The adverse outcome pathway (AOP) framework has been developed as a means for assembling scientifically defensible descriptions of how particular molecular perturbations, termed molecular initiating events (MIEs), can evoke a set of predictable responses at different levels of bi...

Identification of Absorption, Distribution, Metabolism, and Excretion (ADME) Genes Relevant to Steatosis Using a Gene Expression Approach

EPA Science Inventory

Absorption, distribution, metabolism, and excretion (ADME) impact chemical concentration and activation of molecular initiating events of Adverse Outcome Pathways (AOPs) in cellular, tissue, and organ level targets. In order to better describe ADME parameters and how they modulat...

A conceptual framework to advance exposure science research and complement the Adverse Outcome Pathway framework

EPA Science Inventory

A tremendous amount of data on environmental stressors has been accumulated in exposure science, epidemiology, and toxicology, yet most of these data reside in different silos. The Adverse Outcome Pathway (AOP) framework was developed as an organizing principle for toxicological ...

Theoretical Framework to Extend Adverse Outcome Pathways to Include Pharmacokinetic Considerations

EPA Science Inventory

Adverse Outcome Pathways (AOPs) have generated intense interest for their utility in linking known population outcomes to a molecular initiating event (MIE) that can be quantified using in vitro methods. While there are tens of thousands of chemicals in commercial use, biology h...

Identification of Absorption, Distribution, Metabolism, and Excretion (ADME) Genes Relevant to Steatosis Using a Differential Gene Expression Approach

EPA Science Inventory

Absorption, distribution, metabolism, and excretion (ADME) parameters represent important connections between exposure to chemicals and the activation of molecular initiating events of Adverse Outcome Pathways (AOPs) in cellular, tissue, and organ level targets. ADME parameters u...

An overview on the advanced oxidation processes applied for the treatment of water pollutants defined in the recently launched Directive 2013/39/EU.

PubMed

Ribeiro, Ana R; Nunes, Olga C; Pereira, Manuel F R; Silva, Adrián M T

2015-02-01

Environmental pollution is a recognized issue of major concern since a wide range of contaminants has been found in aquatic environment at ngL(-1) to μgL(-1) levels. In the year 2000, a strategy was defined to identify the priority substances concerning aquatic ecosystems, followed by the definition of environmental quality standards (EQS) in 2008. Recently it was launched the Directive 2013/39/EU that updates the water framework policy highlighting the need to develop new water treatment technologies to deal with such problem. This review summarizes the data published in the last decade regarding the application of advanced oxidation processes (AOPs) to treat priority compounds and certain other pollutants defined in this Directive, excluding the inorganic species (cadmium, lead, mercury, nickel and their derivatives). The Directive 2013/39/EU includes several pesticides (aldrin, dichlorodiphenyltrichloroethane, dicofol, dieldrin, endrin, endosulfan, isodrin, heptachlor, lindane, pentachlorophenol, chlorpyrifos, chlorfenvinphos, dichlorvos, atrazine, simazine, terbutryn, diuron, isoproturon, trifluralin, cypermethrin, alachlor), solvents (dichloromethane, dichloroethane, trichloromethane and carbon tetrachloride), perfluorooctane sulfonic acid and its derivatives (PFOS), polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), nonylphenol and octylphenol, as well as the three compounds included in the recommendation for the first watch list of substances (diclofenac, 17-alpha-ethinylestradiol (EE2) and 17-beta-estradiol (E2)). Some particular pesticides (aclonifen, bifenox, cybutryne, quinoxyfen), organotin compounds (tributyltin), dioxins and dioxin-like compounds, brominated diphenylethers, hexabromocyclododecanes and di(2-ethylhexyl)phthalate are also defined in this Directive, but studies dealing with AOPs are missing. AOPs are recognized tools to destroy recalcitrant compounds or, at least, to transform them into biodegradable species. Diuron (a phenylurea herbicide) and atrazine (from the triazine chemical class) are the most studied pesticides from Directive 2013/39/EU. Fenton-based processes are the most frequently applied to treat priority compounds in water and their efficiency typically increases with the operating temperature as well as under UV or solar light. Heterogeneous photocatalysis is the second most used treatment to destroy pollutants defined in the Directive. Ozone alone promotes the partial oxidation of pollutants, and an increase in the effluent biodegradability, but complete mineralization of pollutants is difficult. To overcome this drawback, ozonation has been combined with heterogeneous catalysts, addition of H2O2, other AOPs (such as photocatalysis) or membrane technologies. Copyright © 2014 Elsevier Ltd. All rights reserved.

Analysis of inflammatory cytokines in human blood, breath condensate, and urine using a multiplex immunoassay platform

EPA Science Inventory

A change in the expression of cytokines in human biological media indicates an inflammatory response to external stressors and reflects an early step along the adverse outcome pathway (AOP) for various health endpoints. To characterize and interpret this inflammatory response, m...

Validation of the AOP network “Thyroperoxidase and/or deiodinase inhibition leading to impaired swim bladder inflation”

EPA Science Inventory

Industrial chemicals released in the aquatic environment can pose risks for both environmental and human health. Fish are widely used sentinels for evaluating aquatic toxicity to vertebrates in order to set environmental quality standards, However, chronic toxicity testing with f...

Generation of computationally predicted Adverse Outcome Pathway networks through integration of publicly available in vivo, in vitro, phenotype, and biological pathway data.

EPA Science Inventory

The Adverse Outcome Pathway (AOP) framework is becoming a widely used tool for organizing and summarizing the mechanistic information connecting molecular perturbations by environmental stressors with adverse ecological and human health outcomes. However, the conventional process...

Adverse outcome pathways (AOPs) to enhance EDC screening and testing: Overview of recent activities and future efforts

EPA Science Inventory

Screening and testing for endocrine active chemicals was mandated under 1996 amendments to the Safe Drinking Water Act and Food Quality Protection Act. Efficiencies can be gained in the endocrine disruptor screening program by using available biological and toxicological knowledg...

Evaluating a Skin Sensitization Model and Examining Common Assumptions of Skin Sensitizers (QSAR conference)

EPA Science Inventory

Skin sensitization is an adverse outcome that has been well studied over many decades. Knowledge of the mechanism of action was recently summarized using the Adverse Outcome Pathway (AOP) framework as part of the OECD work programme (OECD, 2012). Currently there is a strong focus...

SULFATE RADICAL-BASED FERROUS-PEROXYMONOSULFATE OXIDATIVE SYSTEM FOR PCBs DEGRADATION IN AQUEOUS AND SEDIMENT SYSTEMS

EPA Science Inventory

Polychlorinated biphenyls (PCBs) in the environment pose long-term risk to public health because of their persistent and toxic nature. This study investigates the degradation of PCBs using sulfate radical-based advanced oxidation processes (SR-AOPs). These processes are based o...

Merging Adverse Outcome Pathway (AOP) and Mode of Action (MOA) Frameworks: Assembling Knowledge for Use in Risk Assessment

EPA Science Inventory

The Adverse Outcome Pathway has emerged as an internationally harmonized mechanism for organizing biological information in a chemical agnostic manner. This construct is valuable for interpreting the results from high-throughput toxicity (HTT) assessment by providing a mechanisti...

HIGH-THROUGHPUT CELLULAR ASSAYS FOR MODELING TOXICITY IN THE FISH REPRODUCTIVE SYSTEM

EPA Science Inventory

The most important benefit of this project is the experimental evaluation of all essential steps in the development and testing of adverse outcome pathways (AOP) for a diverse set of reproductive and non-reproductive toxicants. In contrast to human testing and the toxicity pat...

Differentiating pathway-specific from nonspecific effects in high-throughput toxicity data: A foundation for prioritizing adverse outcome pathway development

EPA Science Inventory

The U.S. Environmental Protection Agency’s ToxCast program has screened thousands of chemicals for biological activity, primarily using high-throughput in vitro bioassays. Adverse outcome pathways (AOPs) offer a means to link pathway-specific biological activities with potential ...

Cross-species assay validation using the AOP “deiodinase inhibition leading to impaired posterior chamber inflation”

EPA Science Inventory

High throughput screening assays able to detect chemical interactions with specific biological targets are increasingly being used to identify chemicals that could be hazardous to humans or wildlife. Most of these assays examine interaction with mammalian proteins. The present wo...

Using Gene Expression Biomarkers to Identify Chemicals that Induce Key Events in Cancer and Endocrine Disruption AOPs: Androgen Receptor as an Example

EPA Science Inventory

High-throughput transcriptomic (HTTr) technologies are increasingly being used to screen environmental chemicals in vitro to provide mechanistic context for regulatory testing. The development of gene expression biomarkers that accurately predict molecular and toxicological effec...

Developing and applying the adverse outcome pathway concept for understanding and predicting neurotoxicity

EPA Science Inventory

To support a paradigm shift in regulatory toxicology testing and risk assessment, the Adverse Outcome Pathway (AOP) concept has recently been proposed. This concept is similar to that for Mode of Action (MOA), describing a sequence of measurable key events triggered by a molecula...

Weight of evidence evaluation of adverse outcome pathways converging at impaired vitellogenin synthesis leading to reproductive impairment

EPA Science Inventory

Adverse outcome pathways (AOPs) provide a framework that supports greater use of mechanistic data measured at lower levels of biological organization as a basis for regulatory decision-making. However, it is recognized that different types of regulatory applications and decisions...

Leveraging human genetic and adverse outcome pathway (AOP) data to inform susceptibility in human health risk assessment

EPA Science Inventory

Estimation of susceptibility differences in human health risk assessment (HHRA) has been challenged by a lack of available susceptibility and variability data after exposure to a specific environmental chemical or pharmaceutical. With the increasingly large number of available da...

Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA workshop report)

EPA Science Inventory

Chemical regulation is challenged by the large number of chemicals requiring assessment for potential human health and environmental impacts. Current approaches are too resource intensive in terms of time, money and animal use to evaluate all chemicals under development or alread...

The AOP framework and causality: Meeting chemical risk assessment challenges in the 21st century

EPA Science Inventory

Chemical safety assessments are expanding from a focus on a few chemicals (or chemical mixtures) to the broader “universe” of thousands, if not hundreds of thousands of substances that potentially could impact humans or the environment. This is exemplified in ...

Increasing scientific confidence in adverse outcome pathways: Application of tailored Bradford-Hill considerations for evaluating weight of evidence

EPA Science Inventory

Systematic consideration of scientific support is a critical element in developing and, ultimately, using adverse outcome pathways (AOPs) for various regulatory applications. Though weight of evidence (WoE) analysis has been proposed as a basis for assessment of the maturity and...

Adverse Outcome Pathways (AOPs) in Human Systems Biology: Gas-Phase Probes for Assessing In Vitro Enzyme System Perturbations

EPA Science Inventory

The Air, Climate, and Energy (ACE) and Chemical Safety for Sustainability (CSS) programs at the U.S. EnvironmentalProtection Agency (EPA) encompass broad-based research that includes assessment of the health and environmentalimpacts of anthropogenic and manufactured chemicals. On...

Degradation Mechanism of Cyanobacterial Toxin Cylindrospermopsin by Hydroxyl Radicals in Homogeneous UV/H2O2 Process

EPA Science Inventory

The degradation of cylindrospermopsin (CYN), a widely distributed and highly toxic cyanobacterial toxin (cyanotoxin), remains poorly elucidated. In this study, the mechanism of CYN destruction by UV-254 nm/H2O2 advanced oxidation process (AOP) was investigated by mass spectrometr...

Use of Adverse Outcome Pathways for Assessing Effects of the Fungicide Propiconazole on Fish Reproduction

EPA Science Inventory

Adverse outcome pathways (AOP) are used to describe the linkage of biological events from a molecular initiating point, to individual-level-endpoints relevant to risk assessment. This study was done to assess toxicity outcomes for the conazole fungicide propiconazole based on a p...

Ecotoxicology in the 21st century - AOPs, HTT and other acronyms

EPA Science Inventory

Product Description:The Duluth Water Quality Lab, which is now the US EPA Mid-Continent Ecology Division, commenced operation in 1967. This presentation is one in a series that focuses on the national and international impacts of this division and its research over its 50-year hi...

Reliable recovery of the optical properties of multi-layer turbid media by iteratively using a layered diffusion model at multiple source-detector separations

PubMed Central

Liao, Yu-Kai; Tseng, Sheng-Hao

2014-01-01

Accurately determining the optical properties of multi-layer turbid media using a layered diffusion model is often a difficult task and could be an ill-posed problem. In this study, an iterative algorithm was proposed for solving such problems. This algorithm employed a layered diffusion model to calculate the optical properties of a layered sample at several source-detector separations (SDSs). The optical properties determined at various SDSs were mutually referenced to complete one round of iteration and the optical properties were gradually revised in further iterations until a set of stable optical properties was obtained. We evaluated the performance of the proposed method using frequency domain Monte Carlo simulations and found that the method could robustly recover the layered sample properties with various layer thickness and optical property settings. It is expected that this algorithm can work with photon transport models in frequency and time domain for various applications, such as determination of subcutaneous fat or muscle optical properties and monitoring the hemodynamics of muscle. PMID:24688828

3D printing of tissue-simulating phantoms as a traceable standard for biomedical optical measurement

NASA Astrophysics Data System (ADS)

Dong, Erbao; Wang, Minjie; Shen, Shuwei; Han, Yilin; Wu, Qiang; Xu, Ronald

2016-01-01

Optical phantoms are commonly used to validate and calibrate biomedical optical devices in order to ensure accurate measurement of optical properties in biological tissue. However, commonly used optical phantoms are based on homogenous materials that reflect neither optical properties nor multi-layer heterogeneities of biological tissue. Using these phantoms for optical calibration may result in significant bias in biological measurement. We propose to characterize and fabricate tissue simulating phantoms that simulate not only the multi-layer heterogeneities but also optical properties of biological tissue. The tissue characterization module detects tissue structural and functional properties in vivo. The phantom printing module generates 3D tissue structures at different scales by layer-by-layer deposition of phantom materials with different optical properties. The ultimate goal is to fabricate multi-layer tissue simulating phantoms as a traceable standard for optimal calibration of biomedical optical spectral devices.

qF-SSOP: real-time optical property corrected fluorescence imaging

PubMed Central

Valdes, Pablo A.; Angelo, Joseph P.; Choi, Hak Soo; Gioux, Sylvain

2017-01-01

Fluorescence imaging is well suited to provide image guidance during resections in oncologic and vascular surgery. However, the distorting effects of tissue optical properties on the emitted fluorescence are poorly compensated for on even the most advanced fluorescence image guidance systems, leading to subjective and inaccurate estimates of tissue fluorophore concentrations. Here we present a novel fluorescence imaging technique that performs real-time (i.e., video rate) optical property corrected fluorescence imaging. We perform full field of view simultaneous imaging of tissue optical properties using Single Snapshot of Optical Properties (SSOP) and fluorescence detection. The estimated optical properties are used to correct the emitted fluorescence with a quantitative fluorescence model to provide quantitative fluorescence-Single Snapshot of Optical Properties (qF-SSOP) images with less than 5% error. The technique is rigorous, fast, and quantitative, enabling ease of integration into the surgical workflow with the potential to improve molecular guidance intraoperatively. PMID:28856038

Evaluation of whole mount in situ hybridization as a tool for pathway-based toxicological research in early-life stage fathead minnows

EPA Science Inventory

Early-life stage fish can be more sensitive to chemical exposure than mature, adult fish. Therefore, defining adverse outcome pathways (AOPs) relevant to early-life stages is critical for linking perturbations of key events during fish development to potential adverse outcomes of...

Incorporation of Predictive Population Modeling into the AOP Famework: A Case Study with White Suckers Exposed to Pulp Effluent

EPA Science Inventory

A need in ecological risk assessment is the ability to create linkages between chemically-induced alterations at molecular and biochemical levels of organization with adverse outcomes in whole organisms and populations. A predictive model was developed to translate changes in th...

Ecological Models to Predict and Test the Effects of Chemical Stressors: Integration across 2 EPA STAR cooperative agreements

EPA Science Inventory

Accessible tools to quantify adverse outcomes pathways (AOPs) that can predict the ecological effects of chemicals and other stressors are a major goal of Chemical Safety and Sustainability research within US EPA’s Office of Research and Development. To address this goal, w...

Differentiating pathway-specific from non-specific effects in high-throughput toxicity data: A foundation for prioritizing adverse outcome pathway development

EPA Science Inventory

The U.S. Environmental Protection Agency’s ToxCast program has screened thousands of chemicals for biological activity, primarily using high-throughput in vitro bioassays. Adverse outcome pathways (AOPs) offer a means to link pathway-specific biological activities with pote...

Differentiating pathway-based toxicity from non-specific effects in high throughput data: A foundation for prioritizing targets for AOP development.

EPA Science Inventory

The Environmental Protection Agency has implemented a high throughput screening program, ToxCast, to quickly evaluate large numbers of chemicals for their effects on hundreds of different biological targets. To understand how these measurements relate to adverse effects in an or...

Physiologically-based Pharmacokinetic(PBPK) Models Application to Screen Environmental Hazards Related to Adverse Outcome Pathways(AOPs)

EPA Science Inventory

PBPK models are useful in estimating exposure levels based on in vitro to in vivo extrapolation (IVIVE) calculations. Linkage of large sets of chemically screened vitro signature effects to in vivo adverse outcomes using IVIVE is central to the concepts of toxicology in the 21st ...

EVALUATION OF A PILOT-SCALE ULTRAVIOLET (UV) LIGHT AND OZONE TREATMENT SYSTEM FOR REMOVAL OF MTBE FROM DRINKING WATER SOURCES

EPA Science Inventory

The U.S. Environmental Protection Agency (EPA) is currently evaluating package plant advanced oxidation process (AOP) systems to treat methyl tertiary butyl ether (MTBE) in drinking water supplies (e.g., surface water, groundwater). MTBE has been identified as a potential carcin...

An AOP-based alternative testing strategy to predict the impact of thyroid hormone disruption on swim bladder inflation in zebrafish

EPA Science Inventory

Within the field of chemical safety assessment, there is a desire to replace costly whole organism testing with more efficient and cost-effective alternatives based on in vitro test systems. Disruption of thyroid hormone signaling via inhibition of enzymes called deiodinases is o...

Twenty-five years after "Wingspread"- Environmental endocrine disruptors (EDCs) and human health

EPA Science Inventory

The development of life-stage and tissue-specific AOPs for EDCs can reduce the uncertainty in extrapolating of the effects of EDCs from in vitro and in vivo studies in laboratory animals to humans. When the key events (KEs) and molecular initiating event (MIEs) in a pathway are...

Application of IATA - A case study in evaluating the global and local performance of a Bayesian Network model for Skin Sensitization

EPA Science Inventory

Since the publication of the Adverse Outcome Pathway (AOP) for skin sensitization, there have been many efforts to develop systematic approaches to integrate the information generated from different key events for decision making. The types of information characterizing key event...

Integrating Aggregate Exposure Pathway (AEP) and Adverse Outcome Pathway (AOP) Frameworks to Estimate Exposure-relevant Responses

EPA Science Inventory

High throughput toxicity testing (HTT) holds the promise of providing data for tens of thousands of chemicals that currently have no data due to the cost and time required for animal testing. Interpretation of these results require information linking the perturbations seen in vi...

Building an Adverse Outcome Pathway Framework through HTS Data and Literature Mining Integration (FutureToxII)

EPA Science Inventory

Interpreting EPA’s ToxCast in vitro assay data in the context of Adverse Outcome Pathway (AOP) development is a significant challenge. While chemical activation in these assays may shed light on the molecular initiating event, the downstream effect of these activities at higher ...

Development of an alternative testing strategy for the fish early life-stage (FELS) test using the AOP framework

EPA Science Inventory

Currently, the fish early life-stage (FELS) test (OECD 210) is the primary guideline used to estimate chronic toxicity of regulated chemicals. Although already more cost-efficient than adult fish tests, the FELS test has some important drawbacks. Both industry and regulatory inst...

Investigation of TiO2 photocatalyst performance for decolorization in the presence of hydrodynamic cavitation as hybrid AOP.

PubMed

Bethi, Bhaskar; Sonawane, S H; Rohit, G S; Holkar, C R; Pinjari, D V; Bhanvase, B A; Pandit, A B

2016-01-01

In this article, an acoustic cavitation engineered novel approach for the synthesis of TiO2, cerium and Fe doped TiO2 nanophotocatalysts is reported. The prepared TiO2, cerium and Fe doped TiO2 nanophotocatalysts were characterized by XRD and TEM analysis to evaluate its structure and morphology. Photo catalytic performance of undoped TiO2 catalyst was investigated for the decolorization of crystal violet dye in aqueous solution at pH of 6.5 in the presence of hydro dynamic cavitation. Effect of catalyst doping with Fe and Ce was also studied for the decolorization of crystal violet dye. The results shows that, 0.8% of Fe-doped TiO2 exhibits maximum photocatalytic activity in the decolorization study of crystal violet dye due to the presence of Fe in the TiO2 and it may acts as a fenton reagent. Kinetic studies have also been reported for the hybrid AOP (HAOP) that followed the pseudo first-order reaction kinetics. Copyright © 2015 Elsevier B.V. All rights reserved.

Novel robust skylight compass method based on full-sky polarization imaging under harsh conditions.

PubMed

Tang, Jun; Zhang, Nan; Li, Dalin; Wang, Fei; Zhang, Binzhen; Wang, Chenguang; Shen, Chong; Ren, Jianbin; Xue, Chenyang; Liu, Jun

2016-07-11

A novel method based on Pulse Coupled Neural Network(PCNN) algorithm for the highly accurate and robust compass information calculation from the polarized skylight imaging is proposed,which showed good accuracy and reliability especially under cloudy weather,surrounding shielding and moon light. The degree of polarization (DOP) combined with the angle of polarization (AOP), calculated from the full sky polarization image, were used for the compass information caculation. Due to the high sensitivity to the environments, DOP was used to judge the destruction of polarized information using the PCNN algorithm. Only areas with high accuracy of AOP were kept after the DOP PCNN filtering, thereby greatly increasing the compass accuracy and robustness. From the experimental results, it was shown that the compass accuracy was 0.1805° under clear weather. This method was also proven to be applicable under conditions of shielding by clouds, trees and buildings, with a compass accuracy better than 1°. With weak polarization information sources, such as moonlight, this method was shown experimentally to have an accuracy of 0.878°.

OH-initiated transformation and hydrolysis of aspirin in AOPs system: DFT and experimental studies.

PubMed

He, Lin; Sun, Xiaomin; Zhu, Fanping; Ren, Shaojie; Wang, Shuguang

2017-08-15

Advanced oxidation processes (AOPs) are widely used in wastewater treatment of pharmaceutical and personal care products (PPCPs). In this work, the OH-initiated transformation as well as the hydrolysis of a typical PPCPs, aspirin, was investigated using density functional theory (DFT) calculations and laboratory experiments. For DFT calculations, the frontier electron densities and bond dissociation energies were analyzed. Profiles of the potential energy surface were constructed, and all the possible pathways were discussed. Additionally, rate constants for each pathway were calculated with transition state theory (TST) method. UV/H 2 O 2 experiments of aspirin were performed and degradation intermediates were identified by UPLC-MS-MS analysis. Different findings from previous experimental works were reported that the H-abstraction pathways at methyl position were dominated and OH-addition pathways on benzene ring were also favored. Meantime, hydroxyl ASA was confirmed as the main stable intermediate. Moreover, it was the first time to use DFT method to investigate the hydrolysis mechanisms of organic ester compound. Copyright © 2017 Elsevier B.V. All rights reserved.

The synthetic activities of TiO2-moringa oleifera seed powder in the treatment of the wastewater of the coal mining industry

NASA Astrophysics Data System (ADS)

Marhaini; Legiso; Trilestari

2018-04-01

To process the coal wastewater, the combination of chemical based technology of Advanced Oxidation Process (AOP) of a strong oxidizer using TiO2 photocatalyst and biological treatment of moringa seed powder (Moringa oleifera) is used in the composite form. AOP can be used as an alternative treatment of coal wastewater which is quite economical and environmentally friendly. The XRD results of TiO2 powder and the synthesis of TiO2 - is moringa seed powder in the form of tetragonal crystals. The degradation results of the quality of the coal wastewater using TiO2 powder reached a decrease of (TSS, Fe, Mn, Zn, Hg, Cu, Co, Cr, Al and Ni) by an average of 70% and the increase of pH value of 7 at 200 minute stirring time. The decrease of the wastewater quality using the synthesis of TiO2- moringa seed powder by using sunlight and without sunlight is detected negative (-) at 200 minute stirring time.

Purification of pectinase from mango (Mangifera indica L. cv. Chokanan) waste using an aqueous organic phase system: a potential low cost source of the enzyme.

PubMed

Amid, Mehrnoush; Abdul Manap, Mohd Yazid; Mustafa, Shuhaimi

2013-07-15

As a novel method of purification, an aqueous organic phase system (AOPS) was employed to purify pectinase from mango waste. The effect of different parameters, such as the alcohol concentration (ethanol, 1-propanol, and 2-propanol), the salt type and concentration (ammonium sulfate, potassium phosphate and sodium citrate), the feed stock crude load, the aqueous phase pH and NaCl concentration, were investigated in the recovery of pectinase from mango peel. The partition coefficient (K), selectivity (S), purification factor (PF) and yield (Y, %) were investigated in this study as important parameters for the evaluation of enzyme recovery. The desirable partition efficiency for pectinase purification was achieved in an AOPS of 19% (w/w) ethanol and 22% (w/w) potassium phosphate in the presence of 5% (w/w) NaCl at pH 7.0. Based on the system, the purification factor of pectinase was enhanced 11.7, with a high yield of 97.1%. Copyright © 2013 Elsevier B.V. All rights reserved.

Comparison of various advanced oxidation processes for the degradation of 4-chloro-2 nitrophenol.

PubMed

Saritha, P; Aparna, C; Himabindu, V; Anjaneyulu, Y

2007-11-19

In the present study an attempt is made efficiently to degrade USEPA listed 4-chloro-2-nitrophenol (4C-2-NP), widely available in bulk drug and pesticide wastes using various advanced oxidation processes (AOPs). A comparative assessment using various AOPs (UV, H(2)O(2,) UV/H(2)O(2), Fenton, UV/Fenton and UV/TiO(2)) was attempted after initial optimization studies, viz., varying pH, peroxide concentration, iron concentration, and TiO(2) loading. The degradation of the study compound was estimated using chemical oxygen demand (COD) reduction and compound reduction using spectrophotometric methods and further validated with high performance liquid chromatography (HPLC). The degradation trends followed the order: UV/Fenton > UV/TiO(2) > UV/H(2)O(2) > Fenton > H(2)O(2) > UV(.) It can be inferred from the studies that UV/Fenton was the most effective in partial mineralization of 4C-2-NP. However, lower costs were obtained with H(2)O(2). Kinetic constants were evaluated using first order equations to determine the rate constant K.

Microwave treatment of dairy manure for resource recovery: Reaction kinetics and energy analysis.

PubMed

Srinivasan, Asha; Liao, Ping H; Lo, Kwang V

2016-12-01

A newly designed continuous-flow 915 MHz microwave wastewater treatment system was used to demonstrate the effectiveness of the microwave enhanced advanced oxidation process (MW/H 2 O 2 -AOP) for treating dairy manure. After the treatment, about 84% of total phosphorus and 45% of total chemical oxygen demand were solubilized with the highest H 2 O 2 dosage (0.4% H 2 O 2 per %TS). The reaction kinetics of soluble chemical oxygen demand revealed activation energy to be in the range of 5-22 kJ mole -1 . The energy required by the processes was approximately 0.16 kWh per liter of dairy manure heated. A higher H 2 O 2 dosage used in the system had a better process performance in terms of solids solubilization, reaction kinetics, and energy consumption. Cost-benefit analysis for a farm-scale MW/H 2 O 2 -AOP treatment system was also presented. The results obtained from this study would provide the basic knowledge for designing an effective farm-scale dairy manure treatment system.

Launch Window Analysis for the Magnetospheric Multiscale Mission

NASA Technical Reports Server (NTRS)

Williams, Trevor W.

2012-01-01

The NASA Magnetospheric Multiscale (MMS) mission will fly four spinning spacecraft in formation in highly elliptical orbits to study the magnetosphere of the Earth. This paper describes the development of an MMS launch window tool that uses the orbitaveraged Variation of Parameter equations as the basis for a semi-analytic quantification of the dominant oblateness and lunisolar perturbation effects on the MMS orbit. This approach, coupled with a geometric interpretation of all of the MMS science and engineering constraints, allows a scan of 180(sup 2) = 32,400 different (RAAN, AOP) pairs to be carried out for a specified launch day in less than 10 s on a typical modern laptop. The resulting plot indicates the regions in (RAAN, AOP) space where each constraint is satisfied or violated: their intersection gives, in an easily interpreted graphical manner, the final solution space for the day considered. This tool, SWM76, is now used to provide launch conditions to the full fidelity (but far slower) MMS simulation code: very good agreement has been observed between the two methods.

An AOP analysis of selective serotonin reuptake inhibitors (SSRIs) for fish.

PubMed

McDonald, M Danielle

2017-07-01

Pharmaceuticals and personal care products (PPCPs) are found in measureable quantities within the aquatic environment. Selective serotonin reuptake inhibitor (SSRI) antidepressants are one class of pharmaceutical compound that has received a lot of attention. Consistent with most PPCPs, the pharmacokinetics and physiological impacts of SSRI treatment have been well-studied in small mammals and humans and this, combined with the evolutionary conservation of the serotonergic system across vertebrates, allows for the read-across of known SSRI effects in mammals to potential SSRI impacts on aquatic organisms. Using an Adverse Outcome Pathway (AOP) framework, this review examines the similarities and differences between the mammalian and teleost fish SSRI target, the serotonin transporter (SERT; SLC6A4), and the downstream impacts of elevated extracellular serotonin (5-HT; 5-hydroxytryptamine), the consequence of SERT inhibition, on organ systems and physiological processes within teleost fish. This review also intends to reveal potentially understudied endpoints for SSRI toxicity based on what is known to be controlled by 5-HT in fish. Copyright © 2017 Elsevier Inc. All rights reserved.

Remote Marine Aerosol: A Characterization of Physical, Chemical and Optical Properties and their Relation to Radiative Transfer in the Troposphere

NASA Technical Reports Server (NTRS)

Clarke, Antony D.; Porter, John N.

1997-01-01

Our research effort is focused on improving our understanding of aerosol properties needed for optical models for remote marine regions. This includes in-situ and vertical column optical closure and involves a redundancy of approaches to measure and model optical properties that must be self consistent. The model is based upon measured in-situ aerosol properties and will be tested and constrained by the vertically measured spectral differential optical depth of the marine boundary layer, MBL. Both measured and modeled column optical properties for the boundary layer, when added to the free-troposphere and stratospheric optical depth, will be used to establish spectral optical depth over the entire atmospheric column for comparison to and validation of satellite derived radiances (AVHRR).

Smoke Over Haze: Comparative Analysis of Satellite, Surface Radiometer and Airborne In-Situ Measurements of Aerosol Optical Properties and Radiative Forcing Over the Eastern US

NASA Astrophysics Data System (ADS)

vant-Hull, B.; Li, Z.; Taubman, B.; Marufu, L.; Levy, R.; Chang, F.; Doddridge, B.; Dickerson, R.

2004-12-01

In July 2002 Canadian forest fires produced a major smoke episode that blanketed the U.S. East Coast. Properties of the smoke aerosol were measured in-situ from aircraft, complementing operational AERONET and MODIS remote sensed aerosol retrievals. This study compares single scattering albedo and phase function derived from the in-situ measurements and AERONET retrievals in order to evaluate their consistency for application to satellite retrievals of optical depth and radiative forcing. These optical properties were combined with MODIS reflectance observations to calculate optical depth. The use of AERONET optical properties yielded optical depths 2% to 16% lower than those directly measured by AERONET. The use of in-situ derived optical properties resulted in optical depths 22% to 43% higher than AERONET measurements. These higher optical depths are attributed primarily to the higher absorption measured in-situ, which is roughly twice that retrieved by AERONET. The resulting satellite retrieved optical depths were in turn used to calculate integrated radiative forcing at both the surface and TOA. Comparisons to surface (SurfRad and ISIS) and to satellite (CERES) broadband radiometer measurements demonstrate that the use of optical properties derived from the aircraft measurements provided a better broadband forcing estimate (21% error) than those derived from AERONET (33% error). Thus AERONET derived optical properties produced better fits to optical depth measurements, while in-situ properties resulted in better fits to forcing measurements. These apparent inconsistencies underline the significant challenges facing the aerosol community in achieving column closure between narrow and broadband measurements and calculations.

Neuromodulation of Limb Proprioceptive Afferents Decreases Apnea of Prematurity and Accompanying Intermittent Hypoxia and Bradycardia

PubMed Central

Kesavan, Kalpashri; Frank, Paul; Cordero, Daniella M.; Benharash, Peyman; Harper, Ronald M.

2016-01-01

Background Apnea of Prematurity (AOP) is common, affecting the majority of infants born at <34 weeks gestational age. Apnea and periodic breathing are accompanied by intermittent hypoxia (IH). Animal and human studies demonstrate that IH exposure contributes to multiple pathologies, including retinopathy of prematurity (ROP), injury to sympathetic ganglia regulating cardiovascular action, impaired pancreatic islet cell and bone development, cerebellar injury, and neurodevelopmental disabilities. Current standard of care for AOP/IH includes prone positioning, positive pressure ventilation, and methylxanthine therapy; these interventions are inadequate, and not optimal for early development. Objective The objective is to support breathing in premature infants by using a simple, non-invasive vibratory device placed over limb proprioceptor fibers, an intervention using the principle that limb movements trigger reflexive facilitation of breathing. Methods Premature infants (23–34 wks gestational age), with clinical evidence of AOP/IH episodes were enrolled 1 week after birth. Caffeine treatment was not a reason for exclusion. Small vibration devices were placed on one hand and one foot and activated in 6 hour ON/OFF sequences for a total of 24 hours. Heart rate, respiratory rate, oxygen saturation (SpO2), and breathing pauses were continuously collected. Results Fewer respiratory pauses occurred during vibration periods, relative to baseline (p<0.005). Significantly fewer SpO2 declines occurred with vibration (p<0.05), relative to control periods. Significantly fewer bradycardic events occurred during vibration periods, relative to no vibration periods (p<0.05). Conclusions In premature neonates, limb proprioceptive stimulation, simulating limb movement, reduces breathing pauses and IH episodes, and lowers the number of bradycardic events that accompany aberrant breathing episodes. This low-cost neuromodulatory procedure has the potential to provide a non-invasive intervention to reduce apnea, bradycardia and intermittent hypoxia in premature neonates. Trial Registration ClinicalTrials.gov NCT02641249 PMID:27304988

Significant role of UV and carbonate radical on the degradation of oxytetracycline in UV-AOPs: Kinetics and mechanism.

PubMed

Liu, Yiqing; He, Xuexiang; Duan, Xiaodi; Fu, Yongsheng; Fatta-Kassinos, Despo; Dionysiou, Dionysios D

2016-05-15

Carbonate radical (CO3(•-)), a selective oxidant, reacts readily with electron-rich compounds through electron transfer and/or hydrogen abstraction. In this study, the role of CO3(•-) in degrading oxytetracycline (OTC) by UV only, UV/H2O2 and UV/persulfate (UV/PS) advanced oxidation processes (AOPs) in the presence of HCO3(-) or CO3(2-) was investigated. For UV only process, the presence of photosensitizers, i.e., nitrate (NO3(-)) and natural organic matter (NOM), had different impacts on OTC degradation, i.e., an enhancing effect by NO3(-) due to the generation of HO(•) and a slight inhibiting effect by NOM possibly due to a light scattering effect. Differently for UV/H2O2 and UV/PS processes, the presence of NO3(-) hardly influenced the destruction of OTC. Generation of CO3(•-) presented a positive role on OTC degradation by UV/NO3(-)/HCO3(-). Such influence was also observed in the two studied AOPs in the presence of both bicarbonate and other natural water constituents. When various natural water samples from different sources were used as reaction matrices, UV only and UV/H2O2 showed an inhibiting effect while UV/PS demonstrated a comparable or even promoting effect in OTC decomposition. After elucidating the potential contribution of UV direct photolysis via excited state OTC* at an elevated reaction pH condition, putative OTC transformation byproducts via CO3(•-) reaction were identified by ultra-high definition accurate-mass quadrupole time-of-flight tandem mass spectrometry (QTOF/MS). Five different reaction pathways were subsequently proposed, including hydroxylation (+16 Da), quinonization (+14 Da), demethylation (-14 Da), decarbonylation (-28 Da) and dehydration (-18 Da). The significant role of UV at high pH and CO3(•-) on OTC removal from contaminated water was therefore demonstrated both kinetically and mechanistically. Copyright © 2016 Elsevier Ltd. All rights reserved.

Simultaneous removal of NO and SO2 from flue gas by combined heat and Fe2+ activated aqueous persulfate solutions.

PubMed

Adewuyi, Yusuf G; Sakyi, Nana Y; Arif Khan, M

2018-02-01

The use of advanced oxidation processes (AOPs) to integrate flue gas treatments for SO 2 , NO x and Hg 0 into a single process unit is rapidly gaining research attention. AOPs are processes that rely on the generation of mainly the hydroxyl radical. This work evaluates the effectiveness of the simultaneous removal of NO and SO 2 from flue gas utilizing AOP induced by the combined heat and Fe 2+ activation of aqueous persulfate, and elucidates the reaction pathways. The results indicated that both SO 2 in the flue gas and Fe 2+ in solution improved NO removal, while the SO 2 is almost completely removed. Increased temperature led to increase in NO removal in the absence and presence of both Fe 2+ and SO 2 , and in the absence of either SO 2 or Fe 2+ , but the enhanced NO removal due to the presence of SO 2 alone dominated at all temperatures. The removal of NO increased from 77.5% at 30 °C to 80.5% and 82.3% at 50 °C and 70 °C in the presence of SO 2 alone, and from 35.3% to 62.7% and 81.2%, respectively, in the presence of Fe 2+ alone. However, in the presence of both SO 2 and Fe 2+ , NO conversion is 46.2% at 30 °C, increased only slightly to 48.2% at 50 °C; but sharply increased to 78.7% at 70 °C compared to 63.9% for persulfate-only activation. Results suggest NO removal in the presence of SO 2 is equally effective by heat-only or heat-Fe 2+ activation as the temperature increases. The results should be useful for future developments of advanced oxidation processes for flue gas treatments. Copyright © 2017 Elsevier Ltd. All rights reserved.

Solar-chemical treatment of groundwater contaminated with petroleum at gas station sites: ex situ remediation using solar/TiO(2) photocatalysis and Solar Photo-Fenton.

PubMed

Cho, Ii-Hyoung; Kim, Young-Gyu; Yang, Jae-Kyu; Lee, Nae-Hyun; Lee, Seung-Mok

2006-01-01

Groundwater samples contaminated by BTEX (benzene, toluene, ethylbenzene, xylene isomers and TPHs (total petroleum hydrocarbons) were treated with advanced oxidation processes (AOPs), such as TiO(2) photocatalysis and Fe(2+)/H(2)O(2) exposed to solar light (37 degrees N and 128 degrees E) with an average intensity of 1.7 mW/cm(2) at 365 nm. These AOP processes showed feasibility in the treatment of groundwater contaminated with BTEX, TPH and TOC (Total Organic Carbon). Outdoor field tests showed that the degradation efficiency of each contaminant was higher in the Fe(2+)/H(2)O(2) system without solar light compared to the TiO(2)/solar light and H(2)O(2)/solar light systems. However, the TiO(2)/solar light and the Fe(2+)/H(2)O(2)/solar light systems showed significantly enhanced efficiencies in the degradation of BTEX, TPH and TOC with the additional use of H(2)O(2). Near complete degradation of BTEX and TPH was observed within 2 and 4 hrs, respectively, however, that of TOC was slower. Without pretreatment of the groundwater, fouling of the TiO(2), due to the ionic species present, was observed within 1 hr of operation, which resulted in the inhibition of further BTEX, TPH and TOC destruction. The degradation rate of n-alkanes with carbon numbers ranging from C10 to C15 was relatively greater than that of n-alknaes with carbon numbers ranging from C16 to C20. From this work, the AOP process (Fe(2+)/H(2)O(2)/solar light and TiO(2)/H(2)O(2)/solar light) illuminated with solar light was identified as an effective ex situ technique in the remediation of groundwater contaminated with petroleum.

Remote Sensing of Vegetation Species Diversity: The Utility of Integrated Airborne Hyperspectral and Lidar Data

NASA Astrophysics Data System (ADS)

Krause, Keith Stuart

The change, reduction, or extinction of species is a major issue currently facing the Earth. Efforts are underway to measure, monitor, and protect habitats that contain high species diversity. Remote sensing technology shows extreme value for monitoring species diversity by mapping ecosystems and using those land cover maps or other derived data as proxies to species number and distribution. The National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP) consists of remote sensing instruments such as an imaging spectrometer, a full-waveform lidar, and a high-resolution color camera. AOP collected data over the Ordway-Swisher Biological Station (OSBS) in May 2014. A majority of the OSBS site is covered by the Sandhill ecosystem, which contains a very high diversity of vegetation species and is a native habitat for several threatened fauna species. The research presented here investigates ways to analyze the AOP data to map ecosystems at the OSBS site. The research attempts to leverage the high spatial resolution data and study the variability of the data within a ground plot scale along with integrating data from the different sensors. Mathematical features are derived from the data and brought into a decision tree classification algorithm (rpart), in order to create an ecosystem map for the site. The hyperspectral and lidar features serve as proxies for chemical, functional, and structural differences in the vegetation types for each of the ecosystems. K-folds cross validation shows a training accuracy of 91%, a validation accuracy of 78%, and a 66% accuracy using independent ground validation. The results presented here represent an important contribution to utilizing integrated hyperspectral and lidar remote sensing data for ecosystem mapping, by relating the spatial variability of the data within a ground plot scale to a collection of vegetation types that make up a given ecosystem.

Effect of residual H2O2 from advanced oxidation processes on subsequent biological water treatment: A laboratory batch study.

PubMed

Wang, Feifei; van Halem, Doris; Liu, Gang; Lekkerkerker-Teunissen, Karin; van der Hoek, Jan Peter

2017-10-01

H 2 O 2 residuals from advanced oxidation processes (AOPs) may have critical impacts on the microbial ecology and performance of subsequent biological treatment processes, but little is known. The objective of this study was to evaluate how H 2 O 2 residuals influence sand systems with an emphasis on dissolved organic carbon (DOC) removal, microbial activity change and bacterial community evolution. The results from laboratory batch studies showed that 0.25 mg/L H 2 O 2 lowered DOC removal by 10% while higher H 2 O 2 concentrations at 3 and 5 mg/L promoted DOC removal by 8% and 28%. A H 2 O 2 dosage of 0.25 mg/L did not impact microbial activity (as measured by ATP) while high H 2 O 2 dosages, 1, 3 and 5 mg/L, resulted in reduced microbial activity of 23%, 37% and 37% respectively. Therefore, DOC removal was promoted by the increase of H 2 O 2 dosage while microbial activity was reduced. The pyrosequencing results illustrated that bacterial communities were dominated by Proteobacteria. The presence of H 2 O 2 showed clear influence on the diversity and composition of bacterial communities, which became more diverse under 0.25 mg/L H 2 O 2 but conversely less diverse when the dosage increased to 5 mg/L H 2 O 2 . Anaerobic bacteria were found to be most sensitive to H 2 O 2 as their growth in batch reactors was limited by both 0.25 and 5 mg/L H 2 O 2 (17-88% reduction). In conclusion, special attention should be given to effects of AOPs residuals on microbial ecology before introducing AOPs as a pre-treatment to biological (sand) processes. Additionally, the guideline on the maximum allowable H 2 O 2 concentration should be properly evaluated. Copyright © 2017 The Author(s). Published by Elsevier Ltd.. All rights reserved.

Kinetics and mechanisms of cylindrospermopsin destruction by sulfate radical-based advanced oxidation processes.

PubMed

He, Xuexiang; de la Cruz, Armah A; O'Shea, Kevin E; Dionysiou, Dionysios D

2014-10-15

Cylindrospermopsin (CYN) is a potent cyanobacterial toxin frequently found in water bodies worldwide raising concerns over the safety of drinking and recreational waters. A number of technologies have been investigated to remove and/or degrade cyanotoxins with advanced oxidation processes (AOPs) being among the most promising and effective for water detoxification. In this study, the degradation of CYN by sulfate radical-based UV-254 nm-AOPs was evaluated. The UV/S2O8(2-) (UV/peroxydisulfate) was more efficient than UV/HSO5(-) (UV/peroxysulfate) and UV/H2O2 (UV/hydrogen peroxide) processes when natural water samples were used as reaction matrices. The observed UV fluence based pseudo-first-order rate constants followed the expected order of radical quantum yields. The presence of 200 μM natural organic matter (NOM) as carbon slightly inhibited the destruction of CYN; 1.24 mg L(-1)NO3(-) (nitrate) had no significant influence on the removal efficiency and 50 μg L(-1) Fe(2+) [iron (2+)] or Cu(2+) [copper (2+)] improved the performance of UV/S2O8(2-). The addition of tert-butyl alcohol (t-BuOH; hydroxyl radical scavenger) in the reaction yielded byproducts that indicated specific sites in CYN preferentially attacked by sulfate radicals (SRs). The predominant CYN degradation byproduct was P448 consistent with fragmentation of the C5C6 bond of the uracil ring. The subsequent formation of P420 and P392 through a stepwise loss of carbonyl group(s) further supported the fragmentation pathway at C5C6. The byproduct P432 was identified exclusively as mono-hydroxylation of CYN at tricyclic guanidine ring, whereas P414 was detected as dehydrogenation at the tricyclic ring. The elimination of sulfate group and the opening of tricyclic ring were also observed. The possible degradation pathways of CYN by SR-AOP were presented. Copyright © 2014 Elsevier Ltd. All rights reserved.

Acousto-Optic and Linear Electro-Optic Properties of Organic Polymeric Materials

DTIC Science & Technology

1989-04-27

Naval Research Laboratory Washington, DC 20375-5000 NRL Memorandum Report 6454 od I3 Acousto - Optic and Linear Electro-Optic Properties of Organic...PROGRAM P1RC;EC7 ASK Arlington, VA 22217-5000 ELEMENT NO NO1 I1I TITLE (Include Security Classification) Acousto - Optic and Linear Electro-Optic...briefly discussing the important molecular properties for enhanced acousto ~ optic and electro-Ooptic ef fects and then relating these to "current

Smoke over haze: Comparative analysis of satellite, surface radiometer, and airborne in situ measurements of aerosol optical properties and radiative forcing over the eastern United States

NASA Astrophysics Data System (ADS)

Vant-Hull, Brian; Li, Zhanqing; Taubman, Brett F.; Levy, Robert; Marufu, Lackson; Chang, Fu-Lung; Doddridge, Bruce G.; Dickerson, Russell R.

2005-05-01

In July 2002 Canadian forest fires produced a major smoke episode that blanketed the east coast of the United States. Properties of the smoke aerosol were measured in situ from aircraft, complementing operational Aerosol Robotic Network (AERONET), and Moderate Resolution Imaging Spectroradiometer (MODIS) remotely sensed aerosol retrievals. This study compares single scattering albedo and phase function derived from the in situ measurements and AERONET retrievals in order to evaluate their consistency for application to satellite retrievals of optical depth and radiative forcing. These optical properties were combined with MODIS reflectance observations to calculate optical depth. The use of AERONET optical properties yielded optical depths 2-16% lower than those directly measured by AERONET. The use of in situ-derived optical properties resulted in optical depths 22-43% higher than AERONET measurements. These higher optical depths are attributed primarily to the higher absorption measured in situ, which is roughly twice that retrieved by AERONET. The resulting satellite retrieved optical depths were in turn used to calculate integrated radiative forcing at both the surface and top of atmosphere. Comparisons to surface (Surface Radiation Budget Network (SURFRAD) and ISIS) and to satellite (Clouds and Earth Radiant Energy System CERES) broadband radiometer measurements demonstrate that the use of optical properties derived from the aircraft measurements provided a better broadband forcing estimate (21% error) than those derived from AERONET (33% error). Thus AERONET-derived optical properties produced better fits to optical depth measurements, while in situ properties resulted in better fits to forcing measurements. These apparent inconsistencies underline the significant challenges facing the aerosol community in achieving column closure between narrow and broadband measurements and calculations.

Ferroic Crystals for Electro-Optic and Acousto-Optic Applications.

DTIC Science & Technology

properties for potential application in acousto - optic devices; and, (2) A systematic examination of the role of domain structures in modifying the...macroscopic properties of all types of ferroic crystals and the manner in which these property modifications could be exploited in acousto - optic , electro

Role of the Varroa mite in honeybee (Apis mellifera) colony loss: A case study for adverse outcome pathway development with a nonchemical stressor

EPA Science Inventory

Significant honeybee colony losses have been reported across North America and Europe in recent years. A number of factors, both chemical and nonchemical, have been associated with such losses. Adverse outcome pathways (AOPs) provide a conceptual framework to describe and evalu...

An application of the Aggregate Exposure Pathway (AEP) and Adverse Outcome Pathway (AOP) frameworks to mechanistically integrate data sources across multiple species into cumulative risk assessment (CRA)

EPA Science Inventory

Toxicologists use dose-response data from both in vivo and in vitro experiments to evaluate the effects of chemical contaminants on organisms. Cumulative risk assessments (CRAs) consider the effects of multiple stressors on multiple endpoints, and utilize environmental exposure ...

A KINETIC MODEL FOR H2O2/UV PROCESS IN A COMPLETELY MIXED BATCH REACTOR. (R825370C076)

EPA Science Inventory

A dynamic kinetic model for the advanced oxidation process (AOP) using hydrogen peroxide and ultraviolet irradiation (H₂O₂/UV) in a completely mixed batch reactor (CMBR) is developed. The model includes the known elementary chemical and photochemical reac...