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Analytical chemistry solutions to hazard evaluation of petroleum refining products.

ABSTRACT: Products of petroleum refining are substances that are both complex and variable. These substances are produced and distributed in high volumes; therefore, they are heavily scrutinized in terms of their potential hazards and risks. Because of inherent compositional complexity and variability, unique challenges exist in terms of their registration and evaluation. Continued dialogue between the industry and the decision-makers has revolved around the most appropriate approach to fill data gaps and ensure safe use of these substances. One of the challenging topics has been the extent of chemical compositional characterization of products of petroleum refining that may be necessary for substance identification and hazard evaluation. There are several novel analytical methods that can be used for comprehensive characterization of petroleum substances and identification of most abundant constituents. However, translation of the advances in analytical chemistry to regulatory decision-making has not been as evident. Therefore, the goal of this review is to bridge the divide between the science of chemical characterization of petroleum and the needs and expectations of the decision-makers. Collectively, mutual appreciation of the regulatory guidance and the realities of what information these new methods can deliver should facilitate the path forward in ensuring safety of the products of petroleum refining.

SUBMITTER: Roman-Hubers AT

PROVIDER: S-EPMC9771979 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature

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Analytical chemistry solutions to hazard evaluation of petroleum refining products.

Roman-Hubers Alina T AT Cordova Alexandra C AC Barrow Mark P MP Rusyn Ivan I

Regulatory toxicology and pharmacology : RTP 20221205

Products of petroleum refining are substances that are both complex and variable. These substances are produced and distributed in high volumes; therefore, they are heavily scrutinized in terms of their potential hazards and risks. Because of inherent compositional complexity and variability, unique challenges exist in terms of their registration and evaluation. Continued dialogue between the industry and the decision-makers has revolved around the most appropriate approach to fill data gaps and ...[more]

PMID: 36473579

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Project description:BackgroundThe southern United States (U.S.) sustains a disproportionate burden of incident stroke and associated mortality, compared to other parts of the U.S. A large proportion of this risk remains unexplained. Petroleum production and refining (PPR) is concentrated within this region and emits multiple pollutants implicated in stroke pathogenesis. The relationship between residential PPR exposure and stroke has not been studied.ObjectiveWe aimed to investigate the census tract-level association between residential PPR exposure and stroke prevalence for adults (≥18 years) in seven southern U.S. states in 2018.MethodsWe conducted spatial distance- and generalized propensity score-matched analysis that adjusts for sociodemographic factors, smoking, and unmeasured spatial confounding. PPR was measured as inverse-distance weighted averages of petroleum production within 2.5km or 5km from refineries, which was strongly correlated with measured levels of sulfur dioxide, a byproduct of PPR.ResultsThe prevalence of self-reported stroke ranged from 0.4% to 12.7% for all the census tracts of the seven states. People with low socioeconomic status and of Hispanic ethnicity resided closer to petroleum refineries. The non-Hispanic Black population was exposed to higher PPR, while the non-Hispanic White population was exposed to lower PPR. Residential PPR exposure was significantly associated with stroke prevalence. One standard deviation increase in PPR within 5km from refineries was associated with 0.22 (95% confidence interval: 0.09, 0.34) percentage point increase in stroke prevalence. PPR explained 5.6% (2.4, 8.9) of stroke prevalence in the exposed areas. These values differed by states: 1.1% (0.5, 1.7) in Alabama to 11.7% (4.9, 18.6) in Mississippi, and by census tract-level: 0.08% (0.03, 0.13) to 25.3% (10.6, 40.0).ConclusionsPPR is associated with self-reported stroke prevalence, suggesting possible links between pollutants emitted from refineries and stroke. The increased prevalence due to PPR may differ by sociodemographic factors.

Project description:A detailed characterization of the chemical composition of complex substances, such as products of petroleum refining and environmental mixtures, is greatly needed in exposure assessment and manufacturing. The inherent complexity and variability in the composition of complex substances obfuscate the choices for their detailed analytical characterization. Yet, in lieu of exact chemical composition of complex substances, evaluation of the degree of similarity is a sensible path toward decision-making in environmental health regulations. Grouping of similar complex substances is a challenge that can be addressed via advanced analytical methods and streamlined data analysis and visualization techniques. Here, we propose a framework with unsupervised and supervised analyses to optimally group complex substances based on their analytical features. We test two data sets of complex oil-derived substances. The first data set is from gas chromatography-mass spectrometry (GC-MS) analysis of 20 Standard Reference Materials representing crude oils and oil refining products. The second data set consists of 15 samples of various gas oils analyzed using three analytical techniques: GC-MS, GC×GC-flame ionization detection (FID), and ion mobility spectrometry-mass spectrometry (IM-MS). We use hierarchical clustering using Pearson correlation as a similarity metric for the unsupervised analysis and build classification models using the Random Forest algorithm for the supervised analysis. We present a quantitative comparative assessment of clustering results via Fowlkes-Mallows index, and classification results via model accuracies in predicting the group of an unknown complex substance. We demonstrate the effect of (i) different grouping methodologies, (ii) data set size, and (iii) dimensionality reduction on the grouping quality, and (iv) different analytical techniques on the characterization of the complex substances. While the complexity and variability in chemical composition are an inherent feature of complex substances, we demonstrate how the choices of the data analysis and visualization methods can impact the communication of their characteristics to delineate sufficient similarity.

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Analytical chemistry solutions to hazard evaluation of petroleum refining products.

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Analytical chemistry solutions to hazard evaluation of petroleum refining products.

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