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Identifying further chemicals of emerging arctic concern based on‘in silico’screening of chemical inventories

Emerging Contaminants 2019年第1期5卷 201-210页

作者： derek muir Xianming Zhang Cynthia A.de Wit Katrin Vorkamp Simon Wilson Environment&Climate Change Canada Canada Centre for Inland WatersBurlingtonONCanada School of Environment Jinan UniversityGuangzhouChina University of Toronto TorontoONCanada Department of Environmental Science and Analytical Chemistry(ACES) Stockholm UniversityStockholmSweden Department of Environmental Science Aarhus UniversityRoskildeDenmark Arctic Monitoring and Assessment Program TromsøNorway

In the past 12 years several studies have screened lists of thousands of chemicals available in the industrial chemical inventories of the European Union,the USA and Canada with the goal of identifying and prioritizing chemicals which are persistent(P),bioaccumulative(B)and toxic(T).Most studies have selected chemicals based on whether their predicted P and B properties and their long-range transport potential exceed guideline thresholds for evaluation of persistent organic pollutants(POPs).A major goal of this study was to review this recent literature on computer-based or‘in silico’screening for POPs.A second goal was to review other approaches for finding previously unidentified chemicals of concern including targeted and non-target analytical approaches that might use lists of suspect chemicals developed from‘in silico’screening *** studies were reviewed along with several others which examined the screening process and its *** these studies we assembled a list of 3421 chemicals,after removing duplicates and substances already on the Stockholm Convention on *** 52%of these were halogenated,while 48%consisted of a broad range of non-halogenated *** list was then further analysed by calculating an overall“POPs score”for transport and accumulation in the Arctic for each substance using predicted partition coefficients,overall persistence,transfer efficiency,and bioaccumulation factor.A shorter list of twenty-five substances was developed based on their POPs score *** substances had not been previously analysed in environmental media but were nevertheless on current or recent chemical inventories indicating significant commercial use.

关键词： Persistent organic pollutants Persistence Bioaccumulation Long-range transport Non-target screening

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Levels and trends of poly-and perfluoroalkyl substances in the Arctic environment-An update

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Emerging Contaminants 2019年第1期5卷 240-271页

作者： derek muir Rossana Bossi Pernilla Carlsson Marlene Evans Amila De Silva Crispin Halsall Cassandra Rauert Dorte Herzke Hayley Hung Robert Letcher Frank Riget Anna Roos Aquatic Contaminants Research Division Environment and Climate Change CanadaBurlingtonONCanada Department of Environmental Science Aarhus UniversityRoskildeDenmark Norwegian Institute for Water Research Fram CentreTromsøNorway Water Hydrology Ecology Division Environment and Climate Change CanadaSaskatoonSKCanada Lancaster Environment Centre Lancaster UniversityLancasterUnited Kingdom Air Quality Processes Research Section Environment and Climate Change CanadaTorontoONCanada Norwegian Institute for Air Research Fram CentreTromsøNorway Ecotoxicology and Wildlife Health Division Environment and Climate Change CanadaNational Wildlife Research CentreCarleton UniversityOttawaONCanada Department of Bioscience Aarhus UniversityRoskildeDenmark Greenland Institute of Natural Resources NuukGreenland Swedish Museum of Natural History StockholmSweden

Poly-and perfluoroalkyl substances(PFASs)are important environmental contaminants globally and in the early 2000s they were shown to be ubiquitous contaminants in Arctic *** reviews by Butt et *** Letcher et *** covered studies on levels and trends of PFASs in the Arctic that were available to *** purpose of this review is to focus on more recent work,generally published between 2009 and 2018,with emphasis on PFASs of emerging concern such as perfluoroalkyl carboxylates(PFCAs)and short-chain perfluoroalkyl sulfonates(PFSAs)and their *** measurements over the period 2006e2014 have shown that fluorotelomer alcohols(FTOHs)as well as perfluorobutanoic acid(PFBA)and perfluoroctanoic acid(PFOA)are the most prominent PFASs in the arctic atmosphere,all with increasing concentrations at Alert although PFOA concentrations declined at the Zeppelin Station(Svalbard).Results from ice cores show generally increasing deposition of PFCAs on the Devon Ice cap in the Canadian arctic while declining fluxes were found in a glacier on *** extensive dataset exists for long-term trends of long-chain PFCAs that have been reported in Arctic biota with some datasets including archived samples from the 1970s and *** in PFCAs over time vary among the same species across the North American Arctic,East and West Greenland,and *** long term time series show a decline from higher concentrations in the early *** there have been recent(post 2010)increasing trends of PFCAs in ringed seals in the Canadian Arctic,East Greenland polar bears and in arctic foxes in *** biological sampling is helping to determine these relatively short term *** levels of some PFCAs have been explained by continued emissions of long-chain PFCAs and/or their precursors and inflows to the Arctic Ocean,especially from the North *** the effectiveness of biological sampling for temporal trends in long-chain PFCAs an

关键词： Perfluoroalkyl substances PFASs Perfluoroalkyl carboxylates Perfluoroalkyl sulfonates Perfluorobutanoic acid Perfluorooctanoic acid Air Seawater Ice caps Biota Contaminants Long-range transport Review

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Chemicals of Emerging Arctic Concern:Preface

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Emerging Contaminants 2019年第1期5卷 1-3页

作者： Cynthia A.de Wit Jennifer Balmer derek C.G.muir Katrin Vorkamp Simon Wilson Department of Environmental Science and Analytical Chemistry(ACES) Stockholm UniversitySE-10691StockholmSweden Arctic Monitoring and Assessment Programme The Fram CentreN-9296TromsøNorway Department of Biology The CitadelCharlestonSCUSA Canada Centre for Inland Waters Environment and Climate Change CanadaBurlingtonONL7S 1A1Canada Department of Environmental Science Arctic Research CentreAarhus UniversityFrederiksborgvej 399PO Box 358DK-4000RoskildeDenmark

*** The Arctic Monitoring and Assessment Programme(AMAP)was established as an international program for monitoring and assessing Arctic pollution in 1991,under the Arctic Environmental Protection Strategy[1].AMAP is now aWorking Group of the Arctic Council(http://***)responsible for monitoring and assessing a range of pollution-and climate change-related issues in the Arctic in order to“provide reliable and sufficient information on the status of,and threats to,the Arctic environment,and scientific advice on actions to be taken in order to support Arctic governments in their efforts to take remedial and preventive actions relating to contaminants and adverse effects of climate change”(see Ref.[2]).

关键词： Chemicals of emerging concern Arctic Persistent organic pollutants Arctic monitoring and assessment programme

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Sources and environmental fate of pyrogenic polycyclic aromatic hydrocarbons(PAHs)in the Arctic

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Emerging Contaminants 2019年第1期5卷 128-142页

作者： Jennifer E.Balmer Hayley Hung Yong Yu Robert J.Letcher derek C.G.muir Arctic Monitoring and Assessment Programme Fram CentrePO Box 6606 Langnes9296TromsøNorway Department of Biology The Citadel171 Moultrie StreetCharlestonSC29409USA Air Quality Processes Research Section Environment and Climate Change Canada4905 Dufferin StreetTorontoOntarioM3H 5T4Canada Northeast Institute of Geography and Agroecology Chinese Academy of SciencesChangchun130102China Ecotoxicology and Wildlife Health Division Environment and Climate Change CanadaNational Wildlife Research CentreCarleton UniversityRaven RoadOttawaOntarioK1A 0H3Canada Environment and Climate Change Canada Canada Centre for Inland Waters867 Lakeshore RoadBurlingtonONL7S 1A1Canada

Polycyclic aromatic hydrocarbons(PAHs)are large class of hydrophobic,semi-volatile organic contaminants that may enter the environment from both natural sources and anthropogenic *** PAHs arise from the incomplete combustion of fossil fuels and organic matter and following dispersal via long-range transport and may subsequently deposit in surface waters,soils and sediments of remote regions,including the *** current review summarizes and discusses Arctic data that is available for combustion-derived PAHs between 2004 and early 2018,focusing largely on data collected from remote,unexploited Arctic regions and from studies that provide some evidence of a pyrogenic *** increasing use of attribution ratios,which aid in discriminating PAHs from petrogenic or pyrogenic sources,suggest PAHs found in Arctic marine waters and sediment predominantly originate from natural underwater seeps,while those measured in air,freshwater,and terrestrial environments are likely to have originated from atmospheric and combustion-derived *** efforts indicate that atmospheric PAHs in the Canadian and Norwegian Arctic are likely to have originated in the northern hemisphere e predominantly from Western Russia,northern Europe,and North *** Asia appears to be a minor source of PAHs to the Arctic,despite contributing more than 50%of global PAH *** comparison to the growing data for atmospheric PAHs,environmental data for these compounds in terrestrial and freshwater environments remain *** have been detected in Arctic biota from terrestrial,freshwater and marine environments,indicating exposure,however,levels are generally low,as most organisms efficiently metabolize parent ***,PAH emissions are expected to decline in the future,however models suggest the Arctic may not experience the same magnitude of decline projected for other world ***,future changes in climate may contribute to a re-volatilizati

关键词： Contaminants Air Biota Pyrogenic Petrogenic Review

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Do cratons preserve evidence of stagnant lid tectonics?

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Geoscience Frontiers 2018年第1期9卷 3-17页

作者： derek Wyman School of Geosciences The University of Sydney

Evidence for episodic crustal growth extending back to the Hadean has recently prompted a number of numerically based geodynamic models that incorporate cyclic changes from stagnant lid to mobile lid tectonics. A large part of the geologic record is missing for the times at which several of these cycles are inferred to have taken place. The cratons, however, are likely to retain important clues relating to similar cycles developed in the Mesoarchean and Neoarchean. Widespread acceptance of a form of plate tectonics by ～3.2 Ga is not at odds with the sporadic occurrence of stagnant lid tectonics after this time. The concept of scale as applied to cratons, mantle plumes and Neoarchean volcanic arcs are likely to provide important constraints on future models of Earth's geodynamic evolution. The Superior Province will provide some of the most concrete evidence in this regard given that its constituent blocks may have been locked into a stagnant lid relatively soon after their formation and then assembled in the next global plate tectonic interval. Perceived complexities associated with inferred mantle plume — volcanic arc associations in the Superior Province and other cratons may be related to an over estimation of plume size. A possible stagnant lid episode between ～2.9 Ga and ～2.8 Ga is identified by previously unexplained lapses in volcanism on cratons, including the Kaapvaal, Yilgarn and Superior Province cratons. If real, then mantle dynamics associated with this episode likely eliminated any contemporaneous mantle plume incubation sites, which has important implications for widespread plumes developed at ～2.7 Ga and favours a shallow mantle source in the transition zone. The Superior Province provides a uniquely preserved local proxy for this global event and could serve as the basis for detailed numerical models in the future.

关键词： Archean Mantle overturn Superior Province Mantle plumes Stagnant lid tectonics

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Hexachlorobutadiene(HCBD)contamination in the Arctic environment:A review

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Emerging Contaminants 2019年第1期5卷 116-122页

作者： Jennifer E.Balmer Hayley Hung Katrin Vorkamp Robert J.Letcher derek C.G.muir Arctic Monitoring and Assessment Programme Fram CentrePO Box 6606 Langnes9296TromsøNorway Department of Biology The Citadel171 Moultrie StreetCharlestonSC29409USA Air Quality Processes Research Section Environment and Climate Change Canada4905 Dufferin StreetTorontoOntarioM3H 5T4Canada Aarhus University Department of Environmental ScienceArctic Research CentreFrederiksborgvej 3994000RoskildeDenmark Ecotoxicology and Wildlife Health Division Environment and Climate Change CanadaNational Wildlife Research CentreCarleton UniversityRaven RoadOttawaOntarioK1A 0H3Canada Environment and Climate Change Canada Canada Centre for Inland Waters867 Lakeshore RoadBurlingtonONL7S 1A1Canada

Hexachlorobutadiene(HCBD)is a halogenated hydrocarbon that is primarily produced as an unintentional byproduct in the manufacture of chlorinated *** between HCBD and other persistent organic pollutants(POPs)led to its listing in 2015 for global regulation under the Stockholm Convention on ***'s toxicity and propensity for long-range transport means there is special concern for its potential impacts on Arctic *** present review comprehensively summarizes all available information of the occurrence of HCBD in the Arctic environment,including its atmospheric,terrestrial,freshwater and marine ecosystems and ***,reports of HCBD in Arctic environmental media are *** has been measured in Arctic air collected from monitoring stations in Finland and Canada,yet there is a dearth of data for other abiotic matrices(***,sediments,glacier ice,freshwaters and seawater).Low HCBD concentrations have been measured in Arctic terrestrial and marine biota,which is consistent with laboratory studies that indicate that HCBD has the potential to bioaccumulate,but not to *** data for Arctic biota suggest that terrestrial birds and mammals and seabirds,have comparatively higher HCBD concentrations than fish and marine mammals,warranting additional *** spatial and temporal trends in HCBD concentrations in the Arctic are currently limited,future monitoring of HCBD in the Arctic will be important for assessing the impact of global regulations newly-imposed by the Stockholm Convention on POPs.

关键词： POPs Air Biota Contaminants Long-range transport Review

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Digital Servo Control of a Robotic Excavator

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Chinese Journal of Mechanical Engineering 2009年第2期22卷 190-197页

作者： GU Jun SEWARD derek School of Mechanical ＆ Electronic Engineering Soochow University Suzhou 215021 China Engineering Department Lancaster University Lancaster LA1 4YR UK

An electro-hydraulic control system is designed and implemented for a robotic excavator known as the Lancaster University Computerised and Intelligent Excavator （LUCIE）. The excavator is being developed to autonomously dig trenches without human intervention. Since the behavior of the excavator arm is dominated by the nonlinear dynamics of the hydraulic actuators and by the large and unpredictable external disturbances when digging, it is difficult to provide adequate accurate, quick and smooth movement under traditional control methodology, e.g., PI/PID, which is comparable with that of an average human operator. The data-based dynamic models are developed utilizing the simplified refined instrumental variable （SRIV） identification algorithm to precisely describe the nonlinear dynamical behaviour of the electro-hydraulic actuation system. Based on data-based model and proportional-integral-plus （PIP） methodology, which is a non-minimal state space method of control system design based on the true digital control （TDC） system design philosophy, a novel control system is introduced to drive the excavator arm accurately, quickly and smoothly along the desired path. The performance of simulation and field tests which drive the bucket along straight lines both demonstrate the feasibility and validity of the proposed control scheme.

关键词： robotic excavator nonlinear dynamics data-based model true digital control (TDC) proportional-integral-plus (PIP)

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A novel application of fluidization-Integrating three processes in reclaiming foundry sand

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Particuology 2010年第6期8卷 595-598页

作者： derek Geldart Jim Lewis Powder Research Ltd Leeds University UK Coastal River Technologies PLLC USA

Immersion of automotive parts in a fluidized bed of foundry sand is used to both strip the castings free from moulding sand and to heat-treat the castings at 500℃. The fluid bed is heated by hot gases from a burner directed first into a serpentine heat exchanger located near one side-wall of the rectangular tank, and then into a distributor consisting of horizontal sparger pipes having maintenance standpipes fixed into their upper surfaces.

关键词： Removal of moulding sand Castings Fluidized beds Heat transfer Foundries

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Dry powder platform for pulmonary drug delivery

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Particuology 2008年第4期6卷 225-238页

作者： derek Ivan Daniher Jesse Zhu Graduate Program in Biomedical Engineering Department of Chemical and Biochemical EngineeringThe University of Western OntarioLondonOntarioCanada

The phenomenon of particle interaction involved in pulmonary drug delivery belongs to a wide variety of disciplines of particle technology, in particular, fluidization. This paper reviews the basic concepts of pulmonary drug delivery with references to fluidization research, in particular, studies on Geldart group C powders. Dry powder inhaler device-formulation combination has been shown to be an effective method for delivering drugs to the lung for treatment of asthma, chronic obstructive pulmonary disease and cystic fibrosis. Even with advanced designs, however, delivery efficiency is still poor mainly due to powder dispersion problems which cause poor lung deposition and high dose variability. Drug particles used in current inhalers must be 1–5 μm in diameter for effective deposition in small-diameter airways and alveoli. These powders are very cohesive, have poor flowability, and are difficult to disperse into aerosol due to cohesion arising from van der Waals attraction. These problems are well known in fluidization research, much of which is highly relevant to pulmonary drug delivery.

关键词： Dry powder inhaler Interparticle forces Aerosol Pulmonary drug delivery Carrier particle Fluidization

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Evolution of pore systems in low-maturity oil shales during thermal upgrading--Quantified by dynamic SEM and machine learning

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Petroleum Science 2024年第3期21卷 1739-1750页

作者： Jun Liu Xue Bai derek Elsworth Key Laboratory of Deep Underground Science and Engineering(Ministry of Education) Institute of New Energy and Low-Carbon TechnologySichuan UniversityChengdu610065SichuanChina International Quantum Academy Shenzhen518048GuangdongChina Shenzhen Institute of Advanced Electronic Materials Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen518055GuangdongChina Department of Energy and Mineral Engineering Pennsylvania State University ParkPA 16802USA

In-situ upgrading by heating is feasible for low-maturity shale oil,where the pore space dynamically *** characterize this response for a heated substrate concurrently imaged by *** systematically follow the evolution of pore quantity,size(length,width and cross-sectional area),orientation,shape(aspect ratio,roundness and solidity)and their anisotropy—interpreted by machine *** indicate that heating generates new pores in both organic matter and inorganic ***,the newly formed pores are smaller than the original pores and thus reduce average lengths and widths of the bedding-parallel pore ***,the average pore lengths and widths are increased in the bedding-perpendicular ***,heating increases the cross-sectional area of pores in low-maturity oil shales,where this growth tendency fluctuates at300℃.In addition,the orientation and shape of the newly-formed heating-induced pores follow the habit of the original pores and follow the initial probability distributions of pore orientation and ***,limited anisotropy is detected in pore direction and shape,indicating similar modes of evolution both bedding-parallel and *** propose a straightforward but robust model to describe evolution of pore system in low-maturity oil shales during heating.

关键词： Low-maturity oil shale Pore elongation Organic matter pyrolysis In-situthermal upgrading Scanning electron microscopy(SEM) Machine learning

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