LyondellBasell Industries

Methyl tert-butyl ether (MTBE) is a high-octane fuel component that helps gasoline burn cleaner and reduces automobile emissions. In 1999, the International Agency for Research on Cancer (IARC) categorized MTBE as “not classifiable” regarding human carcinogenicity. Since then, additional studies have been published that substantially added to the evidence base to examine the carcinogenic potential of MTBE in humans. A systematic literature search and review was conducted to identify mechanistic data, as well as studies investigating cancer in MTBE-exposed humans and experimental animals. Critical appraisal was performed for relevant studies with mechanistic data organized and evaluated within Key Characteristics of Carcinogens (KCCs). Three standard animal cancer bioassays showed a low incidence of hepatocellular adenomas in female mice (inhalation exposure), with renal adenomas/carcinoma (inhalation) and brain tumors (drinking water) in male rats exposed to high concentrations of MTBE. Evidence extracted from the literature demonstrate that the mechanism of male rat renal tumors does not operate in humans. Review of the strength of mechanistic data was based on activity, relevancy, and reliability, with information-dense KCC2—is genotoxic, and KCC10—alters cell proliferation, cell death, and nutrient supply, together supporting that MTBE is unlikely to be a carcinogenic hazard to humans.

Allyl alcohol (C3H6O; prop-2-en-1-ol; CAS RN 107-18-6; EINECS 203-470-7) is used as an intermediate/ monomer in polymerization reactions producing chemicals/optical resins or as a coupling/cross-linking agent for unsaturated polyester and alkyd resins. Human exposure to allyl alcohol (AA) is restricted to workplace manufacturing facilities where it is used in enclosed systems, which limits release and impact on environmental receptors. To address regulatory questions about possible developmental toxicity, two OECD Guideline studies were conducted. A rat developmental toxicity study found fetal and maternal toxicity, in the form of resorptions and decreased body weight and food consumption, but no teratogenic effects. A rabbit developmental toxicity study was subsequently conducted upon request by the European Chemical Agency in 2011 under the REACH program and likewise reported maternal toxicity in the form of reductions in body weight gain and food con- sumption, but neither fetal toxicity or teratogenic effects. The results of both studies are presented and compared in this paper. Based on our review of the collective results of these studies, AA is considered non-teratogenic, yet does elicit increased post-implantation loss and reduced fetal body weight, possibly resulting from concomitant maternal toxicity. Based on the results of these studies, a maternal and developmental toxicity No Observed Adverse Effect Level of 10 mg/kg/day was apparent for both species.

This study examines the implementation of a Big Data Analytics (BDA) project within a major Australian freight and railway organisation. It also identifies the issues and challenges with data collection, data cleaning, data modelling, and data science software, and implements these models to deliver tangible business results. In addition, the project highlights the potential gains that a data analytics project, integrated with a data-driven culture, can provide through significant operational efficiencies and financial gains. Prior to 2019, the company had little exposure to Predictive Analytics. This study shows how the development of data science capability enables the creation of advanced predictive models, particularly in this case study, for the prediction of train wheel wear, and therefore a significant reduction in maintenance expenses Furthermore, a Data Analytics Maturity Assessment was conducted to determine the requirements to become a data-driven organisation. The outcome of the assessment was compared to recent global studies, and it was found that the organisation examined was significantly behind its counterparts in the areas of resources and analytic capabilities, and therefore required investment in these areas. Further studies to examine the degree of Data Analytics maturity within the Australian context are suggested. Organisations striving to become more data-driven need to plan and allocate resources for capability development in infrastructure, data management, employee quantitative skills, and governance.

In the dynamic landscape of scientific research, imaging core facilities are vital hubs propelling collaboration and innovation at the technology development and dissemination frontier. Here, we present a collaborative effort led by Global BioImaging (GBI), introducing international recommendations geared towards elevating the careers of Imaging Scientists in core facilities. Despite the critical role of Imaging Scientists in modern research ecosystems, challenges persist in recognising their value, aligning performance metrics and providing avenues for career progression and job security. The challenges encompass a mismatch between classic academic career paths and service‐oriented roles, resulting in a lack of understanding regarding the value and impact of Imaging Scientists and core facilities and how to evaluate them properly. They further include challenges around sustainability, dedicated training opportunities and the recruitment and retention of talent. Structured across these interrelated sections, the recommendations within this publication aim to propose globally applicable solutions to navigate these challenges. These recommendations apply equally to colleagues working in other core facilities and research institutions through which access to technologies is facilitated and supported. This publication emphasises the pivotal role of Imaging Scientists in advancing research programs and presents a blueprint for fostering their career progression within institutions all around the world.

In this work, crystallographic texture evolution in 3D printed trimodal polyethylene (PE) blends and high-density PE (HDPE) benchmark material were investigated to quantify the resulting material anisotropy, and the results were compared to materials made from conventional injection molded (IM) samples. Trimodal PE reactor blends consisting of HDPE, ultrahigh molecular weight PE (UHMWPE), and HDPE_wax have been used for 3D printing and injection molding. Changes in the preferred orientation and distribution of crystallites, i.e., texture evolution, were quantified utilizing the wide angle X-ray diffraction through pole figures and orientation distribution functions (ODFs) for 3D printed and IM samples. Since the change in weight-average molecular weight (Mw) of the blend was expected to significantly affect the resulting crystallinity and orientation, the overall Mw of the trimodal PE blend was varied while keeping the UHMWPE component weight fraction to 10% in the blend. The resulting texture was analyzed by varying the overall Mw of the trimodal blend and the process parameters in 3D printing and compared to the texture of conventional IM samples. The printing speed and orientation (defined with respect to the axis along the length of the samples) were used as the variable process parameters for 3D printing. The degree of anisotropy increases with an increase in the nonuniform distribution of intensities in pole figures and ODFs. All the highest intensity major texture components in IM and 3D printed samples (0° printing orientation) of reactor blends are observed to have crystals oriented in [001] or [001̅]. Overall, for the same throughput, 3D printed samples in the 0° orientation showed greater texture evolution and higher anisotropy compared to IM samples. Most notably, an increase in 3D printing speed increased the crystalline distribution closer to the 0° direction, increasing the anisotropy, while deviation from this printing orientation reduced crystalline distribution closer to the 0° direction, thus increasing isotropy. This demonstrates that tailoring material properties in specific directions can be achieved more effectively with 3D printing than with the injection molding process. Change in the overall Mw of the trimodal PE blend changed the preferential orientation distribution of the crystal planes to some degree. However, the degree of anisotropy remained the same in almost all cases, indicating that the effect of molecular weight distribution is not as significant as the printing speed and printing orientation in tailoring the resulting properties. The 3D printing process parameters (speed and orientation) were shown to have more influence on the texture than the material parameters associated with the blend.

Structure-based grouping of chemicals for targeted testing and read-across is an efficient way to reduce resources and animal usage. For substances of unknown or variable composition, complex reaction products, or biological materials (UVCBs), structure-based grouping is virtually impossible. Biology-based approaches such as metabolomics could provide a solution. Here, 15 steam-cracked distillates, registered in the EU through the Lower Olefins Aromatics Reach Consortium (LOA), as well as six of the major substance constituents, were tested in a 14-day rat oral gavage study, in line with the fundamental elements of the OECD 407 guideline, in combination with plasma metabolomics. Beyond signs of clinical toxicity, reduced body weight (gain), and food consumption, pathological investigations demonstrated the liver, thyroid, kidneys (males only), and hematological system to be the target organs. These targets were confirmed by metabolome pattern recognition, with no additional targets being identified. While classical toxicological parameters did not allow for a clear distinction between the substances, univariate and multivariate statistical analysis of the respective metabolomes allowed for the identification of several subclusters of biologically most similar substances. These groups were partly associated with the dominant (> 50%) constituents of these UVCBs, i.e., indene and dicyclopentadiene. Despite minor differences in clustering results based on the two statistical analyses, a proposal can be made for the grouping of these UVCBs. Both analyses correctly clustered the chemically most similar compounds, increasing the confidence that this biological approach may provide a solution for the grouping of UVCBs.

An extensive investigation of the interaction of thermoplastic olefin (TPO) compounds with high frequency radar wave has been conducted to understand how TPO materials affect radar sensor efficiency, an important function for vehicle safety and especially the advancement of autonomous vehicles. In this article, the effect of major ingredients of a TPO on its dielectric properties was studied, and then a wide range of TPO compounds were evaluated for their radar transmittance or attenuation. It was demonstrated that the characteristics of polypropylene (PP) resin and rubber have little impact on the dielectric properties of a TPO, thus minimal influence on TPO's radar transparency, while increasing the talc loading in the compound increases the dielectric constant of the TPO. The TPO materials containing talc from 7% up to 34% were found to have dielectric constants ranging from 2.30 to 2.70 and nearly zero dielectric loss. Experiments confirmed that parts molded with these materials are transparent to high frequency radar wave at optimized thicknesses. Some pigments for coloring the materials also affect dielectric properties of TPOs, thus radar transmittance, with metal pigments showing the most impact. Finally, commercial TPO products are shown to have great batch to batch consistency in radar transmittance at a selected part thickness.

An approach to the simulation of foamed injection molded Polypropylene parts subjected to impact loading is presented in this paper. The proposed method, which considers strain-rate-dependent material properties and the possible occurrence of fracture, is, in particular, suitable for parts manufactured with core-back technology. The method was developed to be used within the functionality of a commercial Finite Element solver using a shell-type element mesh. The material model is based on a three-layer structure, with two compact skin layers and a foamed core layer made of expanded material. The properties of the foamed material are assumed as those of the compact grade scaled by a suitable factor, which is identified via inverse engineering on a set of bending tests executed on specimens having different foam densities. The fracture of the material is then predicted using a damage model which considers the effects of triaxiality. The approach is then validated on industrial parts from the automotive sector, subjected to impact in a component test. Despite the simplicity of the presented approach, which makes this method suitable for industrial applications and especially for early-stage design, the validation shows a sufficiently accurate simulation of part behavior under the impact, with a reasonable prediction of damage and fracture.

With ongoing miniaturization and weight reduction of portable electronic devices, effective heat dissipation is essential to inhibit malfunctions and premature failure. The application of fillers in a polymer matrix enhances...

Part 2 of “When to replace aging transformers” uses the initial case study to define basic problems surrounding transformers that were in service for more than 60 years. This article provides an update on transformers returned to service and that are now 71 years old. It expounds more deeply on the insulation system, testing, and criteria used to determine whether to allow a transformer to remain in service or to be replaced. It explores the technique of using the degree of polymerization (DP) to assess the remaining life of insulation as defined in the standards. With today’s information gathering techniques and database manipulation, the method of online monitoring will be discussed. Additional information is available in the paper “When to Replace Aging Transformers” [3] .

Dicyclopentadiene (DCPD) is an olefinic hydrocarbon which is manufactured and imported into the European Union (EU) at greater than 1,000 tons per year. Concerns related to fetotoxic effects observed in reproductive toxicity studies at high doses led the REACH registrants to self-classify DCPD as a Category 2 reproductive toxicant under the EU CLP Regulation. DCPD was also reviewed in the European Union in the frame of an ongoing European Chemical Agency (ECHA) Community Rolling Action Plan (CoRAP) procedure and under the French National Strategy on Endocrine Disruptors (SNPE). To elucidate whether the developmental effects may be triggered by an endocrine mode of action, the Lower Olefins Sector Group (LOSG) of the European Chemical Industry Council (CEFIC) formed an ad hoc expert team to review the available scientific information pertaining to the potential endocrine activity and adversity of DCPD. Existing experimental data was complemented with structure activity modelling using ECHA-recommended (Q)SAR tools. Overall, considering the available information from (Q)SAR, mechanistic in vitro and in vivo studies, no indication of endocrine-mediated adversity was found. Hence, the available evidence supports the conclusion that DCPD does not cause developmental toxicity via an endocrine mode of action. Further work is ongoing to support this conclusion.

In this contribution we investigate the aerobic propylene epoxidation over a Ag/KNO3/CaCO3 catalyst. The catalytic performance and surface speciation of the catalyst depends on the concentrations of feed modifiers such as ethyl chloride and nitric oxide, added to the feed to improve the selectivity by suppressing total combustion to CO2. After a kinetic characterization of the system, we investigate the kinetics in the presence of CO2. We demonstrate that CO2 alters the rate dependence in both reactants, affects the activation of O2, and results in the same maximum rate of propylene oxide formation.

The authors developed a data-driven decision support system to improve a large U.S. chemical manufacturer’s management of its inventory of empty hopper cars. The system is providing the company with increased visibility into its supply chain and allowing it to make probabilistic business decisions.

2-methyl 1,3-propandiol (MPD) is a low molecular weight, colorless glycol used in polymer and coating applications. The log Kow of -0.6 suggests partitioning to aqueous phases with a low concern for possible bioaccumulation. MPD was found to be inherently biodegradable. Ecotoxicological results in several aquatic and terrestrial species found no significant hazard potential. MPD is rapidly absorbed via the oral and dermal routes, metabolized to 3-hydroxybutyrate, and excreted in urine with a half-life of 3.6 h. Acute toxicity testing found low toxicity via all routes. Barely perceptible skin irritation was observed in human volunteers, whereas there was no evidence of irritation in rabbits. Skin sensitization in Guinea pigs was negative. Human skin patch results indicated minimal response in about 1% of individuals. There was no evidence of mutagenicity using bacterial and mammalian test systems. A 90-day oral study in rats found no adverse effects at any dose. Three developmental toxicity studies in rats and rabbits, found no treatment-related maternal toxicity, fetal toxicity or malformations. A two-generation reproduction study in rats found no consistent treatment-related adverse effects on reproduction in either generation. No carcinogenicity studies with MPD were identified. MPD presents a low degree of toxicological and ecotoxicological or environmental hazard.

Two apparently contradictory findings in the literature on low-dose human metabolism of benzene are as follows. First, metabolism is approximately linear at low concentrations, e.g., below 10 ppm. This is consistent with decades of quantitative modeling of benzene pharmacokinetics and dose-dependent metabolism. Second, measured benzene exposure and metabolite concentrations for occupationally exposed benzene workers in Tianjin, China show that dose-specific metabolism (DSM) ratios of metabolite concentrations per ppm of benzene in air decrease steadily with benzene concentration, with the steepest decreases below 3 ppm. This has been interpreted as indicating that metabolism at low concentrations of benzene is highly nonlinear. We reexamine the data using non-parametric methods. Our main conclusion is that both findings are correct; they are not contradictory. Low-concentration metabolism can be linear, with metabolite concentrations proportional to benzene concentrations in air, and yet DSM ratios can still decrease with benzene concentrations. This is because a ratio of random variables can be negatively correlated with its own denominator even if the mean of the numerator is proportional to the denominator. Interpreting DSM ratios that decrease with air benzene concentrations as evidence of nonlinear metabolism is therefore unwarranted when plots of metabolite concentrations against benzene ppm in air show approximately straight-line relationships between them, as in the Tianjin data. Thus, an apparent contradiction that has fueled heated discussions in the recent literature can be resolved by recognizing that highly nonlinear, decreasing DSM ratios are consistent with linear metabolism.

Innovation of the Ziegler-Natta polymerization process for polymerization of propene that allows tailoring of the mechanical properties of isotactic polypropylene (iPP) directly in the polymerization stage is presented. The catalyst is modified by prepolymerization of trimethylallylsilane or vinylcyclohexane so that the catalyst particles are coated by a thin skin of poly(trimethylallylsilane) or poly(vinylcyclohexane) that will act as a nucleating agent for the crystallization of iPP. The presence of the nucleating agent accelerates the crystallization of iPP and affords crystallization of the α form even upon fast crystallization by quenching the melt, a condition that generally produces crystallization of the mesomorphic form. Crystals of the α form so obtained show a nodular morphology and the absence of the spherulitic superstructure. This novel iPP material is characterized by outstanding and unexpected properties of high mechanical strength and modulus and contemporarily high ductility, flexibility and good transparency due to the nodular morphology of the α form.

Catalyst component for the polymerization of olefins comprising Mg, Ti and an electron donor compound of the following formula (I) In which R1 to R4 groups, equal to or different from each other, are hydrogen, C1-C15 hydrocarbon groups, optionally containing an heteroatom selected from halogen, P, S, N and Si, R6 group is selected from C1-C15 hydrocarbon groups optionally containing an heteroatom selected from halogen, P, S, N and Si, and R5 is selected from phenyl groups mono or poly substituted with halogens, said groups R1-R4 being also optionally linked to form a saturated or unsaturated mono or poly cycle.

Soft polyolefin composition with improved processability comprising from 8 to 45% by weight of a polypropylene component (A), from 82 to 45% by weight of an elastomeric component (B), and from 10 to 25% by weight of a viscosity reducing agent (C) comprising polybutene-1 and paraffinic wax or grease. The composition is easily processable also by injection molding and has better tensile properties than compositions in which processability is improved by visbreaking.

Polyolefin compositions suitable for injection moulded items e.g. for impact bumpers and car interiors comprising from 30% to 90% by weight of an heterophasic propylene polymer composition (A); and from 10% to 70% by weight of a multimodal ethylene/C6-C12 alpha olefin copolymer (B); having density from 0.850 to 0.920 g/cm3, total comonomer content from 6% to 30% by weight, Mw/Mn from 4 to 20; intrinsic viscosity in decalin at 135° C. from 1.0 to 4.0 dL/g, and comprising an HDPE fraction (HDPE % wt) up to 30% wt; further comprising up to 50% by weight of a filler (C) and optionally, in amount up to 10% by weight with respect to the overall composition, an impact modifier masterbatch component (D) consisting of a ultra-soft heterophasic copolymer component.