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Award Abstract #0205198
ITR: Development of a General Computational Framework for the Optimal Integration of Atmospheric Chemical Transport Models and Measurements Using Adjoints

| NSF Org: |
AGS
Division of Atmospheric and Geospace Sciences
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| Initial Amendment Date: |
August 15, 2002 |
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| Latest Amendment Date: |
July 31, 2006 |
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| Award Number: |
0205198 |
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| Award Instrument: |
Standard Grant |
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| Program Manager: |
Anne-Marie Schmoltner
AGS Division of Atmospheric and Geospace Sciences
GEO Directorate for Geosciences
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| Start Date: |
September 1, 2002 |
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| Expires: |
August 31, 2008 (Estimated) |
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| Awarded Amount to Date: |
$2299997 |
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| Investigator(s): |
Gregory Carmichael gcarmich@engineering.uiowa.edu (Principal Investigator)
John Seinfeld (Co-Principal Investigator) Adrian Sandu (Co-Principal Investigator)
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| Sponsor: |
University of Iowa
2 GILMORE HALL
IOWA CITY, IA 52242 319/335-2123
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| NSF Program(s): |
ITR MEDIUM (GROUP) GRANTS
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| Field Application(s): |
0000099 Other Applications NEC
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| Program Reference Code(s): |
OTHR, 4444, 1687, 1661, 1652, 1524, 0000
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| Program Element Code(s): |
1687
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ABSTRACT

The overall goal of this project is to develop general computational tools, and associated software, for assimilation of atmospheric chemical and optical measurements into chemical transport models (CTMs). These tools are to be developed so that users need not be experts in adjoint modeling and optimization theory. These developments will foster a deeper understanding of: (1) inaccuracies in CTMs; (2) sensitivities of CTMs input and parameter uncertainties; and (3) the comparison of model predictions and atmospheric measurements. These computational tools have the promise to move the field of atmospheric chemical modeling to the next plateau of understanding the extent to which model predictions encompass available measurements, an understanding that is currently hampered by the absence of systematic theory and general analysis tools. These techniques and analysis tools will be applied both to the interpretation of observational data and to forecasting activities.
The research approach will entail: (1) Development of novel and efficient algorithms for 4-dimensional-Var data assimilation in CTMs; (2) Development of general software support tools to facilitate the construction of discrete adjoints to be used in any CTM; and (3) Application of these techniques to important applications including: (a) analysis of emission control strategies for Los Angeles; (b) the integration of measurements and models to produce a consistent/optimal analysis data set for the ACE-Asia intensive field experiment; (c) the inverse analysis to produce a better estimate of emissions; and (d) the design of observation strategies to improve chemical forecasting capabilities.
The objective of this project is the development and utilization of Information Technology Research (ITR) tools to integrate measurement and modeling analysis with the goal of providing an optimal analysis state of the atmosphere, that is an intimate and close integration of modeled and measured quantities. This improved estimate of the state better defines the spatial and temporal fields of key chemical components in relation to their sources and sinks. This information is critical in designing cost-effective emission control strategies for improved air quality, for the interpretation of observational data such as those obtained during intensive field campaigns, and to the execution of air-quality forecasting. The development of the tools to integrate measurements and models is also critical to the challenge of a full utilization of the vast amounts of satellite chemical data in the troposphere that are now becoming available, and which will become more prevalent in the coming years. In addition to these broader impacts in the fields of information technology, atmospheric chemistry, air quality, and global change, this project will provide opportunities for students and post-docs to participate in a highly interdisciplinary and collaborative activity.
PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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(Showing: 1 - 10 of 66)
(Showing: 1 - 66 of 66)
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A. Hakami, J.H. Seinfeld, T. Chai, Y. Tang, G.R. Carmichael, A. Sandu. "Adjoint Sensitivity Analysis of Ozone Non-attainment over the Continental United States," Environmental Science and Technology, v.40, 2006, p. 3855.
A. Sandu. "Piecewise Polynomial Solutions of Aerosol Dynamics," Aerosol Science and Technology, v.40, 2006, p. 1.
A. Sandu, R. Sander. "Simulating Chemical Kinetic Systems in Fortran 90 and Matlab with the Kinetic PreProcessor KPP-2.1," Atmospheric Chemistry and Physics, v.6, 2006, p. 187.
Anderson, J., A.F. Arellano, K. Raeder, and P.G. Hess. "Ensemble-Based Chemical Data Assimilaiton in a Global Atmospheric Model," EOS Trans, v.87(52), 2006, p. A31A-8060.
Anderson, T., R.J. Charlson, N. Bellouin, O.Boucher, M. Chin, S.A. Christopher, J. Haywood, Y. Kaufman, S. Kinne, J.A. Ogren, L.A. Remer, T. Takemura, D. Tanre, C.R. Trepte, B.A. Wielicki, D.M. Winker, H. Yu. "An 'A-Train' Strategy for Quantifying Direct Climate Forcing by Anthropogenic Aerosols," Bulletin American Meteorological Society, 2005.
Anderson, T., Y. Wu, D.A. Chu, B. Schmid, J. Redemann, O. Dubovik. "Testing the MODIS Satellite Retrieval of Aerosol Fine-Mode Fraction," Journal Geophysical Research, 2005.
Arimoto, R., Y.J. Kim, Y.P. Kim, P.K. Quinn, T.S. Bates, T.L. Anderson, S. Gong, I. Uno, M. Chin, B.J. Huebert, A.D. Clarke, Y. Shinozuka, R. Weber, J. Anderson, S.A. Guazzotti, R.C. Sullivan, D.A. Sodeman, K.A. Prather, I. Sokolik. "Characterization of Asian Dusst During ACE-Asia," Journal Geophysical Research, 2005.
Arimoto, R., Y.J. Kim, Y.P. Kim, P.K. Quinn, T.S. Bates, T.L. Anderson, S. Gong, I. Uno, M. Chin, B.J. Huebert, A.D. Clarke, Y. Shinozuka, R. Weber, J. Anderson, S.A. Guazzotti, R.C. Sullivan, D.A. Sodeman, K.A. Prather, I. Sokolik. "Characterization of Asian Dust During ACE-Asia," Journal Geophysical Research, 2005.
Bates, T., T. Anderson, T. Bond, O. Boucher, G. Carmichael, A. Clarke, K. Duckenfield, C. Erlick, L. Horowitz, H. Maring, A. McComiskey, A. Middlebrook, K. Noone, J. Ogren, J. Penner, A.R. Ravishankara, D.L. Savoie, S. Schwartz, P.K. Quinn and R.J. Weber. "Aerosol Direct Radiative Forcing Over the Northwest Atlantic, Northwest Pacific, and North Indian Oceans: Estimates based on In-Situ Chemical and Optical Measurements and Chemical Transport Modeling," Atmospheric Chemistry and Physics, 2005.
Campbell, J.E., C.O. Stanier, G.R. Carmichael, Y. Tang, T. Chai, S. Vay, Y.H. Choi, G.W. Sachse, H.B. Singh, J-H. Woo, J.M. Vukovich, D.G. Streets, and J.L. Schnoor. "Analysis of Anthropogenic CO2 Signal in ICARTT Observations Using a Regional Chemical Transport Model and its Adjoint," Tellus B, v.59, 2007, p. 199.
Campbell, J.E., G.R. Carmichael, T. Chai, M. Mena-Carrasco, Y. Tang, D.R. Blake, N.J. Blake, S.A. Vay, G.J. Collatz, I. Baker, J.A. Berry, S.A. Montzka, C. Sweeney, J.L. Schnoor, and C.O. Stanier. "Photosynthetic Control of Atmospheric Carbonyl Sulfide During the Growing Season," Science, v.322, 2008, p. 1085.
Carmichael, G.R., A. Sandu, T. Chai, D. Daescu, E.M. Constantinescu, and Y. Tang. "Predicting Air Quality: Improvements Through Advanced Methods to Integrate Models and Measurements," Journal of Computational Physics (special issue on predicting weather, climate and extreme events), v.227, 2008, p. 3540.
Chai, T., G.R. Carmichael, A. Sandu, Y. Tang, D.N. Daescu. "Chemical Data Assimilation with TRACE-P Flight Measurements," Journal of Geophysical Research, 2005.
Chai, T., G.R. Carmichael, A. Sandu, Y. Tang, D.N. Daescu. "Chemical Data Assimilation of Transport and Chemical Evolution Over the Pacific (TRACE-P) Aircraft Measurements," Journal of Geophysical Research, v.111, 2006, p. 1.
Chai, T., G.R. Carmichael. Y. Tang, A. Sandu, M. Hardesty, P. Pilewskie, S. Whitlow, E.V. Browell, M.A. Avery, V. Thouret, P. Nedelec, J.T. Merrill, and A.M. Thompson. "Four Dimensional Data Assimilation Experiments with ICARTT (International Consortium for Atmospheric Transport and Transformation) Ozone Measurements," Journal of Geophysical Research, v.112, 2007, p. D12S15.
Constantinescu, E.M., A. Sandu, and G.R. Carmichael. "Modeling Atmospheric Chemistry and Transport with Dynamic Adaptive Resolution," Computational Geosciences, 2008.
Constantinescu, E.M., T. Chai, A. Sandu, and G.R. Carmichael. "Autoregressive Models of Background Errors for Chemical Data Assimilation," Journal of Geophysical Research, v.112, 2007, p. D12309.
Constantinescu, E.M., W. Liao, A. Sandu. "On Adaptive Mesh Refinement in High Resolution Air Quality Modeling," Springer Lecture Notes in Computer Science, v.3515, 2005, p. 798.
Constantinescu, E.M., W. Liao, A. Sandu. "On Adaptive Mesh Renement in High Resolution Air Quality Modeling," Springer Lecture Notes in Computer Science, v.3515, 2005, p. 798.
Dabberdt, W.F., G. Carmichael, et al. "Meteorological Research Needs for Improved Air Quality Forecasting: Report of the 11th Prospectus Development Team of the U.S. Weather Research Program," Bulletin of the American Meteorological Society, 2004, p. 563.
Dabberdt, W.F., G.R. Carmichael. "Meteorological Research Needs for Improved Air Quality Forecasting: Report of the 11th Prospectus Development Team of the U.S. Weather Research Program," Bulletin of the American Meteorological Society, 2004, p. 563.
Daescu, D. and G.R. Carmichael. "Ad Adjoint Sensitivity Method for the Adaptive Location of the Observations in Air Quality Modeling," Journal Atmospheric Science, v.60, 2003, p. 434.
Daescu, D. and G.R. Carmichael. "An Adjoint Sensitivity Method for the Adaptive Location of the Observations in Air Quality Modeling," Journal Atmospheric Science, v.60, 2003, p. 434.
Daescu, D. and I.M. Navon. "Adaptive Observations in the Context of 4D-Var Data Assimilation," Meteorology and Atmospheric Physics, v.85, 2004, p. 205.
Daescu, D., A.D. Sandu, and G.R. Carmichael. "Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with KPP: II-Numerical Validation and Applications," Atmospheric Environment, v.37, 2003, p. 5097.
Daescu, D., and I.M. Navon. "Analysis of a Hybrid Optimization Method for Variational Data Assimilation," International Journal of Computational Fluid Dynamics, v.17, 2003, p. 299.
Damian, V., A. Sandu, M. Damian, F. Potra, and G.R. Carmichael. "The Kinetic PreProcessor KPP- A Software Environment for Solving Chemical Kinetics," Computers and Chemical Engineering, v.26(11), 2002, p. 1567.
E.M. Constantinescu, A. Sandu, T. Chai, G.R. Carmichael. "Ensemble-Based Chemical Data Assimilation I: General Approach," Quarterly Journal of the Royal Meteorological Society, v.133, 2007, p. 1229.
E.M. Constantinescu, A. Sandu, T. Chai, G.R. Carmichael. "Ensemble-Based Chemical Data Assimilation II: Covariance Localization," Quarterly Journal of the Royal Meteorological Society, v.133, 2007, p. 1245.
E.M. Constantinescu, A. Sandu, T. Chai, G.R. Carmichael. "Investigation of Ensemble Based Chemical Data Assimilation in an Idealized Setting," Atmospheric Environment, v.41, 2007, p. 18.
E.M. Constantinescu, A. Sandu, T. Chai, G.R. Carmichael. "Investigation of Ensemble Based Chemical Data Assimilation in an Idealized Setting," Atmospheric Environment, v.41, 2007, p. 1836.
Edwards, E.P., L.K. Emmons, D.A. Hauglustaine, D.A. Chu, J.C. Gille, Y.J. Kaufman, G. Petron, L.N. Yurganov, L. Giglio, M.N. Deeter, V. Yudin, D.C. Ziskin, J. Warner, J.F. Lamarque, G.L. Francis, S.P. Ho, D. Mao, J. Chen, E.I. Grechko, J.R. Drummond. "Observations of Carbon Monoxide and Aerosols from the Terra Satellite: northern Hemisphere Variability," Journal of Geophysical Research, v.109, 2004, p. D24202.
Edwards, E.P., L.K. Emmons, D.A. Hauglustaine, D.A. Chu, J.C. Gille, Y.J. Kaufman, G. Petron, L.N. Yurganov, L. Giglio, M.N. Deeter, V. Yudin, D.C. Ziskin, J. Warner, J.F. Lamarque, G.L. Francis, S.P. Ho, D. Mao, J. Chen, E.I. Grechko, J.R. Drummond. "Observations of Carbon Monoxide and Aerosols from the Terra Satellite: Northern Hemisphere Variability," Journal of Geophysical Research, v.109, 2004, p. D24202.
Hakami, A., D.K. Henze, J.H. Seinfeld, K. Singh, A. Sandu, S. Kim, D. Byun, and Q. Li. "The Adjoint of CMAQ," Environmental Science & Technology, v.41, 2007, p. 7807.
Hakami, A., D.K. Henze, J.H. Seinfeld, T. Chai, Y. Tang, G.R. Carmichael, A. Sandu. "Adjoint Inverse Modeling of Black Carbon During ACE-Asia," Journal of Geophysical Research, v.110, 2005, p. 1029.
Hakami, A., J.H. Seinfeld, T. Chai, Y. Tang, G.R. Carmichael, A. Sandu. "Adjoint Sensitivity Analysis of Ozone Non-attainment over the Continental United States," Environmental Science and Technology, v.40, 2006, p. 3855.
Henze, D., A. Hakami, and J.H. Seinfeld. "Development of the Adjoint of GEOS-Chem," Atmos Chem Phys, v.7, 2007, p. 2413.
Henze, D.K., J.H. Seinfeld, W. Liao, A. Sandu, and G.R Carmichael. "Inverse Modeling of Aerosol Dynamics: Condensational Growth," Journal of Geophysical Research, v.109D14, 2004, p. D14201.
J.E. Campbell, C.O. Stanier, G.R. Carmichael, Y. Tang, T. Chai, S. Vay, Y.H. Choi, G.W. Sachse, H.B. Singh, J-H. Woo, J.M. Vukovich, D.G. Streets, and J.L. Schnoor. "Analysis of Anthropogenic CO2 Signal in ICARTT Observations Using a Regional Chemical Transport Model and its Adjoint," Tellus B, v.59, 2007, p. 199.
Leahy, L.V., T.L. Anderson, T.F. Eck, and R.W. Bergstrom. "A Synthesis of Single Scattering Albedo of Biomass Burning Aerosol over Southern Africa During SAFARI 2000," Geophysical Research Letters, v.34, 2007, p. L12814.
Leahy, L.V., T.L. Anderson, T.F> Eck, and R.W. Bergstrom. "A Synthesis of Single Scattering Albedo of Biomass Burning Aerosol over Southern Africa Druing SAFARI 2000," Geophysical Research Letters, v.34, 2007, p. L12814.
Leovy, C., T. Anderson, D. Catling, B. Charlson. "The Elephant in the Attic: The New Presidential Vision for Space," EOS: Trans. American Geophysical Society, 2005.
Liao, W., A. Sandu. "Total Energy Singular Vectors for Atmospheric Chemical Transport Models," Springer Lecture Notes in Computer Science, v.3515, 2005, p. 806.
Liao, W., A. Sandu. "Total Energy Singular Vectors for Atmospheric Chemical Transport Models," Springer Lecture Notes in Computer Science, v.3515, 2005, p. 806.
Liu, Z. and A. Sandu. "Analysis of Discrete Adjoints of Numerical Methods for the Advection Equation," International Journal for Numerical Methods in Fluids, v.56, 2008, p. 769.
Liu, Z., A. Sandu. "Analysis of Discrete Adjoints for Upwind Numerical Schemes," Springer Lecture Notes in Computer Science, v.3515, 2005, p. 829.
McKeen, S., J. Wilczak, G. Grell, I. Djalalova, S. Peckham, E.Y. Hsie, W. Gong, V. Bouchet, S. Menard, R. Moffet, J. McHenry, J. McQueen, Y. Tang, G.R. Carmichael, M. Pagowski, A. Chan, T. Dye, G. Frost, P. Lee, R. Mathur. "Assessment of an Ensemble of Seven Real-Time Ozone Forecasts over Eastern North America During the Summer of 2004," Journal of Geophysical Research, 2005.
McKeen, S., S.H. Chung, J. Wilczak, G. Grell, I. Djalalova, S. Peckham, W. Gong, V. Bouchet, R. Moffet, Y. Tang, G.R. Carmichael, R. Mathur, and S. Yu. "Evaluation of Several PM2.5 Forecast Models Using Data Collect4d During the ICARTT/NEAQS 2004 Field Study," J. Geophy. Res., v.112, 2007, p. D10S20.
McKeen, S., S.H. Chung, J. Wilczak, G. Grell, I. Djalalova, S. Peckham, W. Gong, V. Bouchet, R. Moffet, Y. Tang, G.R. Carmichael, R. Mathur, and S. Yu. "Evaluation of Several PM2.5 Forecast Models Using Data Collected During the ICARTT/NEAQS 2004 Field Study," J. Geophy. Res., v.112, 2007, p. D10S20.
Petron, G., C. Granier, B. Khattatov, V. Yudin, J. Lamarque, L. Emmons, J. Gille, D.P. Edwards. "Monthly CO Surface Sources Inventory Based on the 2000/2001 MOPITT Satellite Data," Geophysical Research Letters, v.31, 2004, p. L21107.
Pfister, G., P.G. Hess, L.K. Emmons, J.F. Lamarque, C. Wiedinmyer, D.P. Edwards, G. Petron, J.C. Gille, G.W. Sachse. "Quantifying CO Emissions from the 2004 Alaskan Wildfires Using MOPITT CO Data," Geophysical Research Letters, v.32, 2005, p. L11809.
Sandu, A.. "Piecewise Polynomial Solutions of Aerosol Dynamics," Aerosol Science and Technology, v.40, 2006, p. 1.
Sandu, A. and R. Sander. "Simulating Chemical Kinetic Systems in Fortran 90 and Matlab with the Kinetic PreProcessor KPP-2.1," Atmospheric Chemistry and Physics, v.6, 2006, p. 187.
Sandu, A., and C. Borden. "A Framework for the Numerical Treatment of Aerosol Dynamics," Applied Numerical Mathematics, v.45, 2003, p. 475.
Sandu, A., D.N. Daescu, and G.R. Carmichael. "Direct and Adjoint Sensitivity Analysis of Chemical Kinetic Systems with KPP: I - Theory and Software Tools," Atmospheric Environment, v.37, 2003, p. 5083.
Sandu, A., D.N. Daescu, G.R. Carmichael, and T. Chai. "Adjoint Sensitivity Analysis of Regional Air Quality Models," Journal of Computational Physics, v.204, 2005, p. 222.
Sandu, A., E.M. Constantinescu, W. Liao, G.R. Carmichael, T. Chai, J.H. Seinfeld, D. Daescu. "Ensemble Based Data Assimilation for Atmospheric Chemical Transport Modesl," Springer Lecture Notes in Computer Science, v.3515, 2005, p. 648.
Sandu, A., E.M. Constantinescu, W. Liao, G.R. Carmichael, T. Chai, J.H. Seinfeld, D. Daescu. "Ensemble Based Data Assimilation for Atmospheric Chemical Transport Models," Springer Lecture Notes in Computer Science, v.3515, 2005, p. 648.
Sandu, A., R. Sander. "Simulating Chemical Kinetic Systems in Fortran90 and Matlab with the Kinetic PreProcessor KPP-2.1," Atmospheric Chemistry and Physics, 2005.
Sandu, A., W. Liao, G.R. Carmichael, D.K. Henze, J.H. Seinfeld. "Inverse Modeling of Aerosol Dynamics Using Adjoints: Theoretical and Numerical Considerations," Aerosol Science and Technology, v.39, 2005, p. 1.
T. Chai, G.R. Carmichael, A. Sandu, Y. Tang, D.N. Daescu. "Chemical Data Assimilation of Transport and Chemical Evolution Over the Pacific (TRACE-P) Aircraaft Measurements," Journal of Geophysical Research, v.111, 2006, p. 1.
Wilczak, A., S. McKeen, I. Djalalova, G. Grell, S. Peckham, W. Gong, V. Bouchet, R. Moffett, J. McHenry, J. McQueen, P. Lee, Y. Tang, and G.R. Carmichael. "Bias-Corrected Ensemble and Probabilistic Forecasts of Surface Ozone Over Eastern North America During the Summer of 2004," J. Geophy. Res., v.111, 2006, p. D23S28.
Yu, H., Y.J. Kaufman, M. Chin, G. Feingold, L.A. Remer, T.L. Anderson, Y.J. Balkanski, O. Boucher, S.A. Christopher, J. Feichter, R.A. Kahn, D. Koch, N.G. Loeb, M. Schulz, T. Takemura, L. Zhou, P. DeCola. "A Review of Measurement-Based Assessment of Aerosol Direct Radiative Effect and Forcing," Atmospheric Chemistry and Physics, 2005.
Yu, H., Y.J. Kufman, M. Chin, G. Feingold, L.A. Remer, T.L. Anderson, Y.J. Balkanski, O. Boucher, S.A. Christopher, J. Feichter, R.A. Kahn, D. Koch, N.G. Loeb, M. Schulz, T. Takemura, L. Zhou, P. DeCola. "A Review of Measurement-Based Assessment of Aerosol Direct Radiative Effect and Forcing," Atmospheric Chemistry and Physics, 2005.
Yudin, V., G. Petron, J.F. Lamarque, B.V. Khattatov, P.G. Hess, L.V. Lyjak, J.C. Gille, D.P. Edwards, M.N. Deeter, L.K. Emmons. "Assimilation of the 2000/2001 CO MOPITT Retirevals with Optimized Surface Emissions," Geophysical Research Letters, v.31, 2004, p. L20105.
Yudin, V., G. Petron, J.F. Lamarque, B.V. Khattatov, P.G. Hess, L.V. Lyjak, J.C. Gille, D.P. Edwards, M.N. Deeter, L.K. Emmons. "Assimilation of the 2000/2001 CO MOPITT Retrievals with Optimized Surface Emissions," Geophysical Research Letters, v.31, 2004, p. L20105.
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