Superfund Research Program

Data Science Core

Project Leader: Stratos Pistikopoulos
Co-Investigator: Fred A. Wright (North Carolina State University)
Grant Number: P42ES027704
Funding Period: 2017-2022

Project-Specific Links

Publications

2022

• Beykal B, Avraamidou S, Pistikopoulos EN. 2022. Data-driven optimization of mixed-integer bi-level multi-follower integrated planning and scheduling problems under demand uncertainty. Computers & Chemical Engineering 156:107551. doi:10.1016/j.compchemeng.2021.107551 PMID:34720250 PMCID:PMC8553017
• Bhandari S, Casillas GA, Aly NA, Zhu R, Newman G, Wright FA, Miller A, Adler G, Rusyn I, Chiu WA. 2022. Spatial and temporal analysis of impacts of Hurricane Florence on criteria air pollutants and air toxics in eastern North Carolina. Int J Environ Res Public Health 19(3):doi:10.3390/ijerph19031757 PMID:35162780 PMCID:PMC8835244
• Boysen G, Rusyn I, Chiu WA, Wright FA. 2022. Characterization of population variability of 1,3-butadiene derived protein adducts in humans and mice. Regul Toxicol Pharmacol doi:10.1016/j.yrtph.2022.105171 PMID:35469930
• Ford L, Jang S, Chen Z, Zhou Y, Gallins P, Wright FA, Chiu WA, Rusyn I. 2022. A population-based human in vitro approach to quantify inter-individual variability in responses to chemical mixtures. Toxics 10(8):441. doi:10.3390/toxics10080441 PMID:36006120
• Gordon CA, Pistikopoulos EN. 2022. Data-driven and safety-aware holistic production planning. J Loss Prev Process Ind 77:104754. doi:10.1016/j.jlp.2022.104754
• House JS, Dalzell A, Kuchi S, Zhang S, Lenz K, Boogard PJ, Ketelslegers HB, Gant TW, Rusyn I, Wright FA, Grimm FA, Klaren WD. 2022. Grouping of UVCB substances with dose-response transcriptomics data from human cell-based assays. ALTEX doi:10.14573/altex.2107051 PMID:35288757
• Roman-Hubers AT, Cordova AC, Rohde A, Chiu WA, McDonald TJ, Wright FA, Dodds J, Baker ES, Rusyn I. 2022. Characterization of compositional variability in petroleum substances. Fuel 317:doi:10.1016/j.fuel.2022.123547 PMID:35250041 PMCID:PMC8896784
• Rusyn I, Chiu WA, Wright FA. 2022. Model systems and organisms for addressing inter- and intra-species variability in risk assessment. Regul Toxicol Pharmacol 132:105197. doi:10.1016/j.yrtph.2022.105197 PMID:35636685

2021

• Beykal B, Avraamidou S, Pistikopoulos EN. 2021. Bi-level mixed-integer data-driven optimization of integrated planning and scheduling problems. ESCAPE 50:1707-1713. doi:10.1016/b978-0-323-88506-5.50265-5 PMID:34414400 PMCID:PMC8370828
• Chen Z, Jang S, Kaihatu JM, Zhou Y, Wright FA, Chiu WA, Rusyn I. 2021. Potential human health hazard of post-Hurricane Harvey sediments in Galveston Bay and Houston Ship Channel: A case study of using in vitro bioactivity data to inform risk management decisions. Int J Environ Res Public Health 18:doi:10.3390/ijerph182413378 PMID:34948986 PMCID:PMC8702027
• Chen Z, Lloyd D, Zhou Y, Chiu WA, Wright FA, Rusyn I. 2021. Risk characterization of environmental samples using in vitro bioactivity and polycyclic aromatic hydrocarbon (PAH) concentrations data. Toxicol Sci 179(1):108-120. doi:10.1093/toxsci/kfaa166 PMID:33165562 PMCID:PMC7797768
• Erber L, Goodman S, Wright FA, Chiu WA, Tretyakova N, Rusyn I. 2021. Intra- and inter-species variability in urinary N7-(1-hydroxy-3-buten-2-yl)guanine adducts following inhalation exposure to 1,3-butadiene. Chem Res Toxicol 34(11):2375-2383. doi:10.1021/acs.chemrestox.1c00291 PMID:34726909 PMCID:PMC8715497
• Ganesh HS, Beykal B, Szafran AT, Stossi F, Zhou L, Mancini MA, Pistikopoulos EN. 2021. Predicting the estrogen receptor activity of environmental chemicals by single-cell image analysis and data-driven modeling. ESCAPE 50:481-486. doi:10.1016/b978-0-323-88506-5.50076-0 PMID:34355221 PMCID:PMC8331057
• Gordon CA, Pistikopoulos EN. 2021. Data-driven prescriptive maintenance toward fault-tolerant multiparametric control. AIChE Journal 12:doi:10.1002/aic.17489
• House JS, Grimm FA, Klaren WD, Dalzell A, Kuchi S, Zhang S, Lenz K, Boogaard PJ, Ketelslegers HB, Gant TW, Wright FA, Rusyn I. 2021. Grouping of UVCB substances with new approach methodologies (NAMs) data. ALTEX 38:123-137. doi:10.14573/altex.2006262 PMID:33086383 PMCID:PMC7900923
• Luo Y, Chen Z, Blanchette A, Zhou Y, Wright FA, Baker ES, Chiu WA, Rusyn I. 2021. Relationships between constituents of energy drinks and beating parameters in human induced pluripotent stem cell (iPSC)-derived cardiomyocytes. Food Chem Toxicol doi:10.1016/j.fct.2021.111979 PMID:33450301
• Marvel S, House JS, Wheeler M, Song K, Zhou Y, Wright FA, Chiu WA, Rusyn I, Motsinger-Reif A, Reif DM. 2021. The COVID-19 Pandemic Vulnerability Index (PVI) dashboard: Monitoring county-level vulnerability using visualization, statistical modeling, and machine learning. Environ Health Perspect 129:17701. doi:10.1289/EHP8690 PMID:33400596 PMCID:PMC7785295
• Newman G, Malecha M, Atoba K. 2021. Integrating ToxPi outputs with ArcGIS Dashboards to identify neighborhood threat levels of contaminant transferal during flood events. J of Spa Sci 13:doi:10.1080/14498596.2021.1891149
• Orr AA, Wang M, Beykal B, Ganesh HS, Hearon S, Pistikopoulos EN, Phillips TD, Tamamis P. 2021. Combining experimental isotherms, minimalistic simulations, and a model to understand and predict chemical adsorption onto montmorillonite clays. ACS Omega 6(22):14090-14103. doi:10.1021/acsomega.1c00481 PMID:34124432 PMCID:PMC8190805
• Pappas I, Avraamidou S, Katz J, Burnak B, Beykal B, Turkay M, Pistikopoulos EN. 2021. Multiobjective optimization of mixed-integer linear programming problems: A multiparametric optimization approach. Ind Eng Chem Res 60:8493-8503. doi:10.1021/acs.iecr.1c01175 PMID:34219916 PMCID:PMC8248908
• Roman-Hubers AT, Cordova AC, Aly NA, McDonald TJ, Lloyd D, Wright FA, Baker ES, Chiu WA, Rusyn I. 2021. Data processing workflow to identify structurally related compounds in petroleum substances using ion mobility spectrometry-mass spectrometry. Energy Fuels 35:10529-10539. doi:10.1021/acs.energyfuels.1c00892 PMID:34366560 PMCID:PMC8341389
• Wang M, Rivenbark K, Gong J, Wright FA, Phillips TD. 2021. Application of edible montmorillonite clays for the adsorption and detoxification of microcystin. ACS Appl Bio Mater 4(9):7254-7265. doi:10.1021/acsabm.1c00779

2020

• Beykal B, Avraamidou S, Pistikopoulos IP, Onel M, Pistikopoulos EN. 2020. DOMINO: Data driven optimization of bi level mixed integer nonlinear problems. J Glob Optim 36:doi:10.1007/s10898-020-00890-3 PMID:32753792 PMCID:PMC7402589
• Beykal B, Onel M, Onel O, Pistikopoulos EN. 2020. A data-driven optimization algorithm for differential algebraic equations with numerical infeasibilities. AIChE Journal doi:10.1002/aic.16657 PMID:32921798 PMCID:PMC7485937
• Bi K, Beykal B, Avraamidou S, Pappas I, Pistikopoulos EN, Qiu T. 2020. Integrated Modeling of Transfer Learning and Intelligent Heuristic Optimization for a Steam Cracking Process. Ind Eng Chem Res 59:16357-16367. doi:10.1021/acs.iecr.0c02657 PMID:33041499 PMCID:PMC7543991
• Chen Z, Liu Y, Wright FA, Chiu WA, Rusyn I. 2020. Rapid hazard characterization of environmental chemicals using a compendium of human cell lines from different organs. ALTEX 37:623-638. doi:10.14573/altex.2002291 PMID:32521033
• House JS, Bouzos E, Fahy K, Francisco VM, Lloyd D, Wright FA, Motsinger-Reif A, Asuri P, Wheeler K. 2020. Low dose silver nanoparticle surface chemistry and temporal effects on gene expression in human liver cells. Wiley Interdiscip Rev Nanomed Nanobiotechnol doi:10.1002/smll.202000299 PMID:32227433 PMCID:PMC7446734
• Luo Y, Aly NA, McCord JP, Strynar M, Chiu WA, Dodds J, Baker ES, Rusyn I. 2020. Rapid characterization of emerging per- and polyfluoroalkyl substances in aqueous film-forming foams using ion mobility spectrometry-mass spectrometry. Environ Sci Technol 54(23):15024-15034. doi:10.1021/acs.est.0c04798 PMID:33176098 PMCID:PMC7719402
• Malecha M, Kirsch KR, Karaye I, Horney JA, Newman G. 2020. Advancing the toxics mobility inventory: Development and application of a toxics mobility vulnerability index to Harris County, Texas. Sustainability 13(6):282-291. doi:10.1089/sus.2020.0067
• Marvel S, House JS, Wheeler M, Song K, Zhou Y, Wright FA, Chiu WA, Rusyn I, Motsinger-Reif A, Reif DM. 2020. The COVID-19 Pandemic Vulnerability Index (PVI) Dashboard: Monitoring county-level vulnerability using visualization, statistical modeling, and machine learning. (non-peer reviewed)
• Mukherjee R, Beykal B, Szafran AT, Onel M, Stossi F, Mancini MG, Lloyd D, Wright FA, Zhou L, Mancini MA, Pistikopoulos EN. 2020. Classification of estrogenic compounds by coupling high content analysis and machine learning algorithms. PLoS Comput Biol 16:24. doi:10.1371/journal.pcbi.1008191 PMID:32970665 PMCID:PMC7538107
• Onel M, Burnak B, Pistikopoulos EN. 2020. Integrated Data-Driven Process Monitoring and Explicit Fault-Tolerant Multiparametric Control. Ind Eng Chem Res 59(6):2291-2306. doi:10.1021/acs.iecr.9b04226 PMID:32549652 PMCID:PMC7299207
• Rusyn I, Chiu WA, Wright FA. 2020. Questioning existing cancer hazard evaluation standards in the name of statistics. Toxicol Sci 177:521-522. doi:10.1093/toxsci/kfaa077 PMID:32462183

2019

• Burnett SD, Blanchette A, Grimm FA, House JS, Reif DM, Wright FA, Chiu WA, Rusyn I. 2019. Population-based toxicity screening in human induced pluripotent stem cell-derived cardiomyocytes. Toxicol Appl Pharmacol 381:114711. doi:10.1016/j.taap.2019.114711 PMID:31425687 PMCID:PMC6745256
• Mukherjee R, Onel M, Beykal B, Szafran AT, Stossi F, Mancini MA, Zhou L, Wright FA, Pistikopoulos EN. 2019. Development of the Texas A&M Superfund Research Program computational platform for data integration, visualization, and analysis. Computer Aided Chemical Engineering 46:967-972. doi:10.1016/B978-0-12-818634-3.50162-4 PMID:31612156 PMCID:PMC6791821
• Onel M, Beykal B, Ferguson K, Chiu WA, McDonald TJ, Zhou L, House JS, Wright FA, Sheen D, Rusyn I, Pistikopoulos EN. 2019. Grouping of complex substances using analytical chemistry data: A framework for quantitative evaluation and visualization. PLoS One 14(10):e0223517. doi:10.1371/journal.pone.0223517 PMID:31600275 PMCID:PMC6786635
• Onel M, Kieslich CA, Pistikopoulos EN. 2019. A nonlinear support vector machine based feature selection approach for fault detection and diagnosis: application to the Tennessee Eastman process. AIChE Journal 65(3):992-1005. doi:10.1002/aic.16497
• Plante P, Francovic-Fontaine E, May J, McLean JA, Baker ES, Laviolette F, Marchand M, Corbeil J. 2019. Predicting Ion Mobility Collision Cross-Sections Using a Deep Neural Network: DeepCCS. Anal Chem 91:5191-5199. doi:10.1021/acs.analchem.8b05821 PMID:30932474 PMCID:PMC6628689

2018

• Avraamidou S, Beykal B, Pistikopoulos IP, Pistikopoulos EN. 2018. A hierarchical Food-Energy-Water Nexus (FEW-N) decision-making approach for Land Use Optimization. Int Symp Process Syst Eng 44:1885-1890. doi:10.1016/B978-0-444-64241-7.50309-8 PMID:30397687
• Avraamidou S, Milhorn A, Sarwar O, Pistikopoulos EN. 2018. Towards a quantitative food-energy-water nexus metric to facilitate decision making in process systems: A case study on a dairy production plant. ESCAPE 43:391-396. doi:10.1016/B978-0-444-64235-6.50071-1 PMID:30320306
• Beykal B, Boukouvala F, Floudas CA, Pistikopoulos EN. 2018. Optimal design of energy systems using constrained grey-box multi-objective optimization. Computers & Chemical Engineering 116:488-502. doi:10.1016/j.compchemeng.2018.02.017 PMID:30546167 PMCID:PMC6287910
• Grimm FA, Blanchette A, House JS, Ferguson K, Hsieh N, Dalaijamts C, Wright AA, Anson B, Wright FA, Chiu WA, Rusyn I. 2018. A human population-based organotypic in vitro model for cardiotoxicity screening. ALTEX 35:441-452. doi:10.14573/altex.1805301 PMID:29999168 PMCID:PMC6231908
• Li G, Shabalin AA, Rusyn I, Wright FA, Nobel AB. 2018. An empirical Bayes approach for multiple tissue eQTL analysis. Biostatistics 19(3):391-406. doi:10.1093/biostatistics/kxx048 PMID:29029013 PMCID:PMC6366007
• Marvel S, To K, Grimm FA, Wright FA, Rusyn I, Reif DM. 2018. ToxPi Graphical User Interface 2.0: dynamic exploration, visualization, and sharing of integrated data models. BMC Bioinformatics 19(1):80. doi:10.1186/s12859-018-2089-2 PMID:29506467 PMCID:PMC5838926
• Onel M, Beykal B, Wang M, Grimm FA, Zhou L, Wright FA, Phillips TD, Rusyn I, Pistikopoulos EN. 2018. Optimal chemical grouping and sorbent material design by data analysis, modeling and dimensionality reduction techniques. Computer Aided Chemical Engineering 43:421-426. doi:10.1016/B978-0-444-64235-6.50076-0 PMID:30534632
• Onel M, Kieslich CA, Guzman YA, Floudas CA, Pistikopoulos EN. 2018. Big data approach to batch process monitoring: simultaneous fault detection and diagnosis using nonlinear support vector machine-based feature selection. Computers & Chemical Engineering 115:46-63. doi:10.1016/j.compchemeng.2018.03.025 PMID:30386002 PMCID:PMC6205516
• Onel M, Kieslich CA, Guzman YA, Floudas CA, Pistikopoulos EN. 2018. Reprint of: Big data approach to batch process monitoring: simultaneous fault detection and diagnosis using nonlinear support vector machine-based feature selection. Computers & Chemical Engineering 116:503-520. doi:10.1016/j.compchemeng.2018.10.016
• Onel M, Kieslich CA, Guzman YA, Pistikopoulos EN. 2018. Simultaneous fault detection and identification in continuous processes via nonlinear Support Vector Machine based feature selection. Int Symp Process Syst Eng 44:2077-2082. doi:10.1016/B978-0-444-64241-7.50341-4 PMID:30534633
• Venkatratnam A, House JS, Konganti K, McKenney C, Threadgill DW, Chiu WA, Aylor DL, Wright FA, Rusyn I. 2018. Population-based dose-response analysis of liver transcriptional response to trichloroethylene in mouse. Mamm Genome 29:168-181. doi:10.1007/s00335-018-9734-y PMID:29353386 PMCID:PMC6094947

2017

• House JS, Grimm FA, Jima DD, Zhou Y, Rusyn I, Wright FA. 2017. A pipeline for high-throughput concentration response modeling of gene expression for toxicogenomics. Front Genet 8:168. doi:10.3389/fgene.2017.00168 PMID:29163636 PMCID:PMC5672545
• Venkatratnam A, Furuya S, Kosyk O, Gold A, Bodnar WM, Konganti K, Threadgill DW, Gillespie DA, Aylor DL, Wright FA, Chiu WA, Rusyn I. 2017. Editor's Highlight: Collaborative Cross mouse population enables refinements to characterization of the variability in toxicokinetics of trichloroethylene and provides genetic evidence for the role of PPAR pathway in its oxidative metabolism. Toxicol Sci 158(1):48-62. doi:10.1093/toxsci/kfx065 PMID:28369613
• Zheng X, Aly NA, Zhou Y, Dupuis KT, Bilbao A, Paurus VL, Orton DJ, Wilson R, Payne SH, Smith RD, Baker ES. 2017. A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry. Chem Sci 8(11):7724-7736. doi:10.1039/c7sc03464d PMID:29568436 PMCID:PMC5853271
• Zhou Y, Cichocki JA, Soldatow VY, Scholl EH, Gallins P, Jima DD, Yoo HS, Chiu WA, Wright FA, Rusyn I. 2017. Editor's highlight: comparative dose-response analysis of liver and kidney transcriptomic effects of trichloroethylene and tetrachloroethylene in B6C3F1 mouse. Toxicol Sci 160(1):95-110. doi:10.1093/toxsci/kfx165 PMID:28973375 PMCID:PMC5837274