Multiple Sensor Data Integration (PNNL Scope # 90001)
EMSL Project ID
5116
Abstract
Development of a mathematical/statistical framework for nuclear, chemical, and biological (NCB) sensor integration and decision analysis is proposed. In particular, a statistical model for integrating disparate instrument signatures will be developed and incorporated into a triage tree approach to identification of unknowns. A Bayesian decision framework will be used for data integration and unknown identification. A key benefit of the Bayesian framework is that it allows users to place relative importance on each piece of information through prior distributions and costs associated with incorrect decisions. The statistical models developed from this framework will then be combined with a companion effort being funded by the HSI initiative for nuclear threat detection, and propagated through a triage approach to NCB signature detection and identification. Successful completion of this research will result in robust, effective algorithms that can be used in development and deployment of integrated sensor systems. While the proposed research is being developed for NCB threat detection, potential applications for this work are very broad and include automated analyte detection/identification in field deployable and high throughput analytical laboratory applications. In order to due this, we need more transmissive FTIR data on a number of vegetative bacteria.
Project Details
Project type
Exploratory Research
Start Date
2003-10-06
End Date
2003-10-06
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Andreas Heyden, Osman Mamun, Mohammad Saleheen, Mehdi Zare. 2021. "Aqueous-phase effects on ethanol decomposition over Ru-based catalysts." Catalysis Science & Technology https://doi.org/10.1039/D1CY01057C
Andreas Heyden, Subrata Kumar Kundu, Mohammad Saleheen, Mehdi Zare. 2020. "Dependency of solvation effects on metal identity in surface reactions." Communications Chemistry 3 (1) https://doi.org/10.1038/s42004-020-00428-4
Asif J. Chowdhury, Andreas Heyden, Gabriel A. Terejanu, Wenqiang Yang. 2021. "Comparative Study on the Machine Learning-Based Prediction of Adsorption Energies for Ring and Chain Species on Metal Catalyst Surfaces." The Journal of Physical Chemistry C 125 (32):17742-17748. https://doi.org/10.1021/acs.jpcc.1c05470
Charles Fricke, Andreas Heyden, Subrata Kumar Kundu, Biplab Rajbanshi, Wenqiang Yang, Adam Yonge. 2021. "Computational Investigation of the Catalytic Hydrodeoxygenation of Propanoic Acid over a Cu(111) Surface." The Journal of Physical Chemistry C 125 (35):19276-19293. https://doi.org/10.1021/acs.jpcc.1c05240
Chowdhury A.J., W. Yang, K.E. Abdelfatah, M. Zare, A. Heyden, and G.A. Terejanu. 2020. "A Multiple Filter Based Neural Network Approach to the Extrapolation of Adsorption Energies on Metal Surfaces for Catalysis Applications." Journal of Chemical Theory and Computation 16, no. 2:1105–1114.
Foster NS, NB Valentine, SE Thompson, TJ Johnson, and JE Amonette. 2004. "FTIR Transmission and Photoacoustic Spectroscopy for the Statistical Identification of Bacteria ." In Proceedings of SPIE - Chemical and Biological Point Sensors for Homeland Defense, vol. 5269, ed. Arthur J. Sedlacek III, Richard Colton, Tuan Vo-Dinh, pp. 172-182. SPIE (International Society for Optical Engineering), Bellingham , WA.
Foster NS, SE Thompson, NB Valentine, JE Amonette, and TJ Johnson. 2004. "Identification of Sporulated and Vegetative Bacteria using Statistical Analysis of Fourier Transform Mid-Infrared Transmission Data ." Applied Spectroscopy 58(2):203-211.
Jesse Q. Bond, Andreas Heyden, Osman Mamun, Rajadurai Vijay Solomon, Wenqiang Yang. 2020. "Investigation of the reaction mechanism of the hydrodeoxygenation of propionic acid over a Rh(1 1 1) surface: A first principles study." Journal of Catalysis 391:98-110. https://doi.org/10.1016/j.jcat.2020.08.015
Kwak W., H. Lim, P. Gao, R. Feng, S. Chae, L. Zhong, and J. Read, et al. 2020. "Effects of Fluorinated Diluents in Localized High-Concentration Electrolytes for Lithium-Oxygen Batteries." Advanced Functional Materials. PNNL-SA-152153. doi:10.1002/adfm.202002927
Kwak W., S. Chae, R. Feng, P. Gao, J. Read, M.H. Engelhard, and L. Zhong, et al. 2020. "Optimized Electrolyte with High Electrochemical Stability and Oxygen Solubility for Lithium-Oxygen and Lithium-Air Batteries." ACS Energy Letters 5, no. 7:2182-2190. PNNL-SA-150369. doi:10.1021/acsenergylett.0c00809
Rajbanshi B., S. Saha, S. Ammal, and A. Heyden. 2020. "Oxidative Dehydrogenation of Propane on the Oxygen Adsorbed Edges of Boron Nitride Nanoribbons." Catalysis Science & Technology 10, no. 15:5181-5195.
Shane R. Canon, Christopher S. Henry, Rajendra P. Joshi, Neeraj Kumar, Lee Ann McCue, Andrew McNaughton, Dennis G. Thomas. 2021. "Quantum Mechanical Methods Predict Accurate Thermodynamics of Biochemical Reactions." ACS Omega https://doi.org/10.1021/acsomega.1c00997
Tylinski M.T., R.S. Smith, and B.D. Kay. 2020. "Structure and Desorption Kinetics of Acetonitrile Thin Films on Pt(111) and on Graphene on Pt(111)." Journal of Physical Chemistry C 124, no. 4:2521-2530. PNNL-SA-149144. doi:10.1021/acs.jpcc.9b10579
Xi Y., and A. Heyden. 2020. "Preferential Oxidation of CO in Hydrogen at Nonmetal Active Sites with High Activity and Selectivity." ACS Catalysis 10, 5362-5370. doi:10.1021/acscatal.0c00743
Xi Y., and A. Heyden. 2020. "Selective Activation of Methane CH Bond in the Presence of Methanol." Journal of Catalysis 386.
Yang W., R.V. Solomon, J. Lu, O. Mamun, J.Q. Bond, and A. Heyden. 2020. "Unraveling the Mechanism of the Hydrodeoxygenation of Propionic Acid Over a Pt (1 1 1) Surface in Vapor and Liquid Phases." Journal of Catalysis 381. doi:10.1016/j.jcat.2019.11.036
You K., S. Ammal, Z. Lin, W. Wan, J.G. Chen, and A. Heyden. 2020. "Understanding the Effect of Mo2C Support on the Activity of Cu for the Hydrodeoxygenation of Glycerol." Journal of Catalysis 388.
Zare M., R. V.. Solomon, W. Yang, A. Yonge, and A. Heyden. 2020. "Theoretical Investigation of Solvent Effects on the Hydrodeoxygenation of Propionic Acid over a Ni(111) Catalyst Model." Journal of Physical Chemistry C 124, 16488-16500. doi:10.1021/acs.jpcc.0c04437
Zhang X., L. Zou, Y. Xu, X. Cao, M.H. Engelhard, B.E. Matthews, and L. Zhong, et al. 2020. "Advanced electrolytes for fast-charging high-voltage lithium-ion batteries in wide-temperature range." Advanced Energy Materials 10, no. 22:2000368. PNNL-SA-150274. doi:10.1002/aenm.202000368