Short communication on the role of cellulosic fiber-based packaging in reduction of climate change impacts.

This short communication describes the climate change impacts of using cellulose, and more precisely cellulosic fiber-based materials, in food packaging, representing current and emerging industrial state of the art technology, without specific reference to current scientific advances. First, the different types of cellulosic fiber-based packaging materials, which can be used to replace fossil-based packaging materials, are presented for flexible and rigid applications. The focus is on technological solutions with packaging properties that enable the protection of commonly sold food products. The manufacturing processes associated with these cellulosic fiber-based materials is described and the environmental impact assessment of 4 selected case studies presented: stand-up pouches, flexible flow wraps, frozen or chilled food trays, and molded pulp lids. A simplified eco-design Life Cycle Assessment (LCA) was then performed to compare each solution with its fossil-based counterpart. Differences and similarities between the various cellulosic solutions have been identified. Furthermore, the assessment confirms that cellulosic fiber-based materials have reduced environmental impacts as compared to fossil-based counterparts, if a similar packaging weight is obtained. Indeed, all impacts of plastics are between 3 and 5 kg CO2eq/kg, while all impacts of cellulosic fiber-based materials are below 1.5 kg CO2eq/kg.

A framework for increasing the availability of life cycle inventory data based on the role of multinational companies.

PURPOSE: The aim of the paper is to assess the role and effectiveness of a proposed novel strategy for Life Cycle Inventory (LCI) data collection in the food sector and associated supply chains. The study represents one of the first of its type and provides answers to some of the key questions regarding the data collection process developed, managed and implemented by a multinational food company across the supply chain. METHODS: An integrated LCI data collection process for confectionery products was developed and implemented by Nestlé, a multinational food company. Some of the key features includes (1) management and implementation by a multinational food company; (2) types of roles to manage, provide and facilitate data exchange; (3) procedures to identify key products, suppliers and customers; (4) LCI questionnaire and cover letter and (5) data quality management based on the pedigree matrix. Overall, the combined features in an integrated framework provide a new way of thinking about the collection of LCI data from the perspective of a multinational food company. RESULTS AND DISCUSSION: The integrated LCI collection framework spanned across 5 months and resulted in 87 new LCI datasets for confectionery products from raw material, primary resource use, emission and waste release data collected from suppliers across 19 countries. The data collected was found to be of medium to high quality compared with secondary data. However, for retailers and waste service companies, only partially completed questionnaires were returned. Some of the key challenges encountered during the collection and creation of data included lack of experience, identifying key actors, communication and technical language, commercial compromise, confidentiality protection and complexity of multi-tiered supplier systems. A range of recommendations are proposed to reconcile these challenges which include standardisation of environmental data from suppliers, concise and targeted LCI questionnaires and visualising complexity through drawings. CONCLUSIONS: The integrated LCI data collection process and strategy has demonstrated the potential role of a multinational company to quickly engage and act as a strong enabler to unlock latent data for various aspects of the confectionery supply chain. Overall, it is recommended that the research findings serve as the foundations to transition towards a standardised procedure which can practically guide other multinational companies to considerably increase the availability of LCI data.

Assessment of the environmental persistence and long-range transport of endosulfan.

Concentrations of the insecticide endosulfan (α- and ß-isomer) and its degradation product endosulfan sulfate in air, seawater and soil are calculated with the global environmental fate model CliMoChem. As model input, physicochemical properties of all three compounds were assembled and a latitudinally and temporally resolved emission inventory was generated. For concentrations in air, model and measurements are in good agreement; a bimodal seasonality with two peaks in spring and fall as it is observed in Arctic air is reproduced by the model. For seawater, the agreement of model and measurements depends on the values of the hydrolysis activation energy of endosulfan used in the model; with relatively high values around 100 kJ/mol, model results match field data well. The results of this assessment of the levels, persistence, and global distribution of endosulfan are also relevant for the evaluation of endosulfan as a Persistent Organic Pollutant under the Stockholm Convention.

Release of legacy pollutants from melting glaciers: model evidence and conceptual understanding.

Recently, increasing concentrations of persistent organic pollutants (POPs) have been observed in the sediment of glacier-fed Lake Oberaar, Switzerland. Melting glaciers have been suggested as a secondary source of POPs released to Alpine lakes. Here we further investigate whether climate warming may accelerate the release of POPs previously deposited to Alpine glaciers ("glacier hypothesis"). To test this hypothesis, a dynamic multimedia mass balance model is developed for the catchment area of Lake Oberaar and is applied to polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), and dichlorodiphenyl trichloroethane (DDT). This lake model is combined with two other models. The first is a dynamic multimedia mass balance model parametrized for the Swiss lowlands that is used to calculate (on the basis of historical emission data) the atmospheric concentrations that are an advective input into the model of the lake catchment. The second is a flow model of Oberaar Glacier that determines the residence time of persistent chemicals in the glacier after their deposition to the glacier surface. According to results from these three models in combination, the release of POPs by the glacier is currently increasing and accounts for the observed increase in concentrations in the lake sediment. The models indicate that approximately half of the amount of PCBs, PCDD/Fs, and DDT initially incorporated into the glacier ice is still stored in the glacier. Under the assumption that the climate is warming, accelerated release of POPs is to be expected for the future; in a model run where no climate warming is assumed, the period of time required for release of the same amount of chemicals is longer by several decades than in the scenario with a changing climate.

Modeling the global fate and transport of perfluorooctane sulfonate (PFOS) and precursor compounds in relation to temporal trends in wildlife exposure.

A global-scale fate and transport model was applied to investigate the historic and future trends in ambient concentrations of perfluorooctane sulfonate (PFOS) and volatile perfluorooctane sulfonyl fluoride (POSF)-based precursor compounds in the environment. First, a global emission inventory for PFOS and its precursor compounds was estimated for the period 1957-2010. We used this inventory as input to a global-scale contaminant fate model and compared modeled concentrations with field data. The main focus of the simulations was to examine how modeled concentrations of PFOS and volatile precursor compounds respond to the major production phase-out that occurred in 2000-2002. Modeled concentrations of PFOS in surface ocean waters are generally within a factor of 5 of field data and are dominated by direct emissions of this substance. In contrast, modeled concentrations of the precursor compounds considered in this study are lower than measured concentrations both before and after the production phase-out. Modeled surface ocean water concentrations of PFOS in source regions decline slowly in response to the production phase-out while concentrations in remote regions continue to increase until 2030. In contrast, modeled concentrations of precursor compounds in both the atmosphere and surface ocean water compartment in all regions respond rapidly to the production phase-out (i.e., decline quickly to much lower levels). With respect to wildlife biomonitoring data, since precursor compounds are bioavailable and degrade to PFOS in vivo, it is at least plausible that declining trends in PFOS body burdens observed in some marine organisms are attributable to this exposure pathway. The continued increases in PFOS body burdens observed in marine organisms inhabiting other regions may reflect exposure primarily to PFOS itself, present in the environment due to production and use of this compound as well as degradation of precursor compounds.

A multi-individual pharmacokinetic model framework for interpreting time trends of persistent chemicals in human populations: application to a postban situation.

BACKGROUND: Human milk and blood are monitored to detect time trends of persistent organic pollutants (POPs) in humans. It is current practice to use log-linear regression to fit time series of averaged cross-sectional biomonitoring data, here referred to as cross-sectional trend data (CSTD). OBJECTIVE: The goals of our study are to clarify the interpretation of half-lives derived from fitting exponential functions to declining CSTD and to provide a method of estimating human elimination half-lives from CSTD collected in a postban situation. METHODS: We developed a multi-individual pharmacokinetic model framework and present analytical solutions for a postban period. For this case, the framework quantitatively describes the relationships among the half-life for reduction of body burdens of POPs derived from CSTD, the half-life describing decline in daily intake, and the half-life of elimination from the human body. RESULTS: The half-life derived from exponential fitting of CSTD collected under postban conditions describes the exposure trend and is independent of human elimination kinetics. We use a case study of DDT (dichlorodiphenyltrichloroethane) to show that CSTD can be combined with exposure data obtained from total diet studies to estimate elimination kinetics of POPs for humans under background exposure conditions. CONCLUSIONS: CSTD provide quantitative information about trends in human exposure and can be combined with exposure studies to estimate elimination kinetics. The full utility of these data has not been exploited so far. An efficient and informative monitoring strategy for banned POPs in humans would coordinate sampling of consistent sets of CSTD from young adults with total diet studies.

Using information on uncertainty to improve environmental fate modeling: a case study on DDT.

Present and future concentrations of DDT in the environment are calculated with the global multimedia model CliMoChem. Monte Carlo simulations are used to assess the importance of uncertainties in substance property data, emission rates, and environmental parameters for model results. Uncertainties in the model results, expressed as 95% confidence intervals of DDT concentrations in various environmental media, in different geographical locations, and at different points in time are typically between 1 and 2 orders of magnitude. An analysis of rank correlations between model inputs and predicted DDT concentrations indicates that emission estimates and degradation rate constants, in particular in the atmosphere, are the most influential model inputs. For DDT levels in the Arctic, temperature dependencies of substance properties are also influential parameters. A Bayesian Monte Carlo approach is used to update uncertain model inputs based on measurements of DDT in the field. The updating procedure suggests a lower value for half-life in air and a reduced range of uncertainty for Kow of DDT. As could be expected, the Bayesian updating yields model results that are closer to observations, and model uncertainties have decreased. Sensitivity analysis and Bayesian Monte Carlo approach in combination provide new insight into important processes that govern the global fate and persistence of DDT in the environment.

Dependence of persistence and long-range transport potential on gas-particle partitioning in multimedia models.

A novel approach of modeling gas-particle partitioning using polyparameter linear free energy relationships (ppLFERs) is implemented into three different multimedia box models (the OECD Pov and LRTP screening tool (The Tool), ChemRange, and CliMoChem) and compared to approaches based on the octanol-air partition coefficient (K(OA)). In all three multimedia models, calculated overall persistence is not strongly influenced (differences < 3%) by the gas-particle partitioning approach selected. The long-range transport potential (LRTP) is more sensitive to the choice of the gas-particle partitioning model. In CliMoChem, the LRTP of polar chemicals is higher if the ppLFER gas-particle partitioning approach is applied, with differences up to a factor of 2. Modeled concentrations of polar chemicals in Arctic air are also higher in the ppLFER version of CliMoChem. The model results obtained with the ppLFER approach are in good agreement with measured concentrations of alpha-HCH, methoxychlor, and trifluralin in Arctic air, whereas results from the K(OA)-based version of the model are in some cases lower by a factor of 10-100. If the required chemical property data are available, the ppLFER approach holds considerable potential to improve the gas-particle partitioning description for polar chemicals in multimedia models.

Contribution of volatile precursor substances to the flux of perfluorooctanoate to the Arctic.

Perfluorooctanoate (PFO) has recently been found in remote ocean water and Arctic samples, despite not having been used in significant quantities in remote areas. Two main scenarios for the contamination of the Arctic by PFO have been suggested: (i) direct emissions of PFO and oceanic transport to the Arctic and (ii) emissions of volatile precursor substances that are transported and oxidized in the atmosphere to form PFO, which is subsequently deposited to the Arctic. Focusing on the atmospheric transport pathway, we compare the importance of fluorotelomer alcohols (FTOHs) and perfluorooctyl sulfonamidoethanols (FOSEs) for PFO deposition to the Arctic. Using a global scale multispecies mass balance model, we simultaneously calculate the transport, degradation, partitioning, and deposition of precursor substances, intermediate degradation products, and PFO and compare model results to field measurements. Prior to 2002, the modeled deposition fluxes of PFO to the Arctic originating from FOSEs and FTOHs are of a similar magnitude, and total estimated deposition compares well with deposition measurements for Arctic ice cores. However, the model underpredicts recent measurements of FOSEs in Arctic air, indicating that there may be additional emissions not taken into account. Using Monte Carlo calculations we quantify the uncertainties in our model results and identify that emission estimates, degradation yields, and degradation rate constants are the most influential input parameters controlling the estimated deposition of PFO to the Arctic.

Investigating the global fate of DDT: model evaluation and estimation of future trends.

The global environmental fate model CliMoChem has been used to calculate concentrations of dichlorodiphenyltrichloroethane (DDT) and its degradation products in the environment. To this end, best available physicochemical properties of DDT have been assembled, and a realistic DDT emission scenario covering the period from 1940 to 2005 has been generated. Results from the model are temporally and geographically resolved concentrations of DDT, dichlorodiphenyldichloroethylene (DDE), and dichlorodiphenyldichloroethane (DDD) in various environmental media. To confirm model results with measurements, we have developed a method for a qualitative and quantitative comparison of model and measurements. The agreement between the model and measurements is good, especially in the temporal dimension, and in the soil and air compartments. Using estimated DDT emissions for the future, we predict environmental concentrations in the next 50 years. The results show that, if emissions continue at a low level, concentrations will decrease by a factor of 30 in temperate regions and by a factor of 100 in the Arctic, as compared to the concentrations in the 1960s and 1970s. In the tropics, levels decrease by a factor of 5 to 10, only. Whereas environmental concentrations and estimated future emissions are at steady state after about 10 years in temperate and tropical regions, this takes over 50 years in the Arctic.

Modeling the environmental fate of polybrominated diphenyl ethers (PBDEs): the importance of photolysis for the formation of lighter PBDEs.

A global multimedia model is used to calculate the fate of polybrominated diphenyl ethers (PBDEs) in the environment. Special emphasis is given to the importance of direct photolysis, which has been shown to be an important degradation mechanism for highly brominated PBDEs and is believed to result in the formation of lower-brominated PBDEs. We show that the inclusion of direct photolysis decreases the overall persistence and long-range transport potential of most PBDEs, in particular the heavier ones. We develop a PBDE emission inventory and calculate environmental concentrations of different PBDEs. Differences between predicted concentrations and field data are assessed and possible reasons for these differences discussed. The formation of lighter PBDEs by debromination of deca-BDE is compared to direct emissions of lighter PBDE homologues. The model estimates that about 13% of the penta-BDE and about 2% of the tetra-BDE homologue found in the environment arise from the degradation of deca-BDE. Uncertainties of the model estimates are quantified and their implications for the findings of our study discussed.

Including degradation products of persistent organic pollutants in a global multi-media box model.

GOAL, SCOPE AND BACKGROUND: Global multi-media box models are used to calculate the fate of persistent organic chemicals in a global environment and assess long-range transport or arctic contamination. Currently, such models assume substances to degrade in one single step. In reality, however, intermediate degradation products are formed. If those degradation products have a high persistence, bioaccumulation potential and / or toxicity, they should be included in environmental fate models. The goal of this project was to gain an overview of the general importance of degradation products for environmental fate models, and to expand existing, exposure-based hazard indicators to take degradation products into account. METHODS: The environmental fate model CliMoChem was modified to simultaneously calculate a parent compound and several degradation products. The three established hazard indicators of persistence, spatial range and arctic contamination potential were extended to include degradation products. Five well-known pesticides were selected as example chemicals. For those substances, degradation pathways were calculated with CATABOL, and partition coefficients and half-lives were compiled from literature. RESULTS: Including degradation products yields a joint persistence value that is significantly higher than the persistence of the parent compound alone: in the case of heptachlor an increase of the persistence by a factor of 58 can be observed. For other substances, the increase is much smaller (4% for alpha-HCH). The spatial range and the arctic contamination potential (ACP) can increase significantly, too: for 2,4-D and heptachlor, an increase by a factor of 2.4 and 3.5 is seen for the spatial range. However, an important increase of the persistence does not always lead to a corresponding increase in the spatial range: the spatial range of aldrin increases by less than 50%, although the persistence increases by a factor of 20 if the degradation products are included in the assessment. Finally, the arctic contamination potential can increase by a factor of more than 100 in some cases. DISCUSSION: Influences of parent compounds and degradation products on persistence, spatial range and ACP are discussed. Joint persistence and joint ACP reflect similar characteristics of the total environmental exposure of a substance family (i.e., parent compound and all its degradation products). CONCLUSIONS: The present work emphasizes the importance of degradation products for exposure-based hazard indicators. It shows that the hazard of some substances is underestimated if the degradation products of these substances are not included in the assessment. The selected hazard indicators are useful to assess the importance of degradation products. RECOMMENDATIONS AND PERSPECTIVES: It is suggested that degradation products be included in hazard assessments to gain a more accurate insight into the environmental hazard of chemicals. The findings of this project could also be combined with information on the toxicity of degradation products. This would provide further insight into the importance of degradation products for environmental risk assessments.

Improving data quality for environmental fate models: a least-squares adjustment procedure for harmonizing physicochemical properties of organic compounds.

Physicochemical properties (vapor pressure, aqueous solubility, octanol solubility, Henry's law constant, and octanol-air and octanol-water partition coefficients) and their temperature dependencies are required for fate modeling of environmental pollutants. To be internally consistent, measured values for these properties often must be adjusted. The goal of adjusting the property values for consistency is to more accurately estimate the true values. However, consistency and accuracy are not synonymous. If there are systematic errors in one property, then adjustment for consistency may reduce the accuracy of other property data. Here, we provide methods for achieving consistency and improving accuracy in the selection of partitioning properties from literature sources. First, we show that a widely used procedure does not always minimize the adjustments of property values derived from the literature when harmonizing them according to thermodynamic constraints. In such cases, the final adjusted values (FAVs) are unnecessarily different from the literature-derived values (LDVs) selected from measurements. We present an improved procedure based on the theory of least squares that minimizes the adjustment of LDVs and allows quantitative propagation of uncertainty from LDVs to FAVs. When this procedure is applied to partitioning properties for 30 organic chemicals, FAVs obtained differ by up to 30% from those calculated with the current adjustment procedure. Second, we point out that the adjustment procedure is only appropriate for correcting random errors in measurement data. Biased LDVs must be identified and corrected prior to harmonization. Using a set of 16 PCB congeners as a case study, we provide methods to identify biased data and discuss possible sources of bias. We present a new interpretation of property data for the PCBs and a new set of internally consistent properties and quantitative structure-property relationships that we recommend as the best currently available.