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Prediction of soot–water partition coefficients for selected persistent organic pollutants from theoretical molecular descriptors

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Progress in Natural Science:Materials International 2008年第7期18卷 867-872页

作者： Qing Zhang, Jun Huang, Gang Yu * POPs Research Centre, Department of Environmental Science and Engineering, Tsinghua University, Beijing 100084, China POPs Research Centre Department of Environmental Science and Engineering Tsinghua University Beijing 100084 China

Quantitative structure–property relationship (QSPR) models were developed for soot–water partition coefficient (KSC) values of selected persistent organic pollutants (POPs), i.e. 10 polychlorinated dibenzo-p-dioxins and dibenzofurans, nine polychlorinated biphe- nyls, four polycyclic aromatic hydrocarbons and two polybrominated diphenyl ethers, using partial least squares (PLS) regression. Quan- tum chemical descriptors computed by parameterized model revision 3 Hamiltonian method were used as predictor variables. The cross- validated Q2cum value for the optimal QSPR model is 0.844, indicating a good predictive capability for the logKSC values of these chem- icals. The QSPR results showed that average molecular polarizability (a), standard heat of formation (DHf) and energy of the lowest unoccupied molecular orbital (ELUMO) have dominant effects on KSC of POPs. The results suggested that logKSC values of POPs increase with the increase of a. Contrarily, logKSC values decrease with the increase of ELUMO and DHf of POPs.

关键词： Quantitative structure–property relationships black carbon Persistent organic pollutants Quantum chemical descriptors Partial least squares

Fast action on short-lived climate pollutants and nature-based solutions to help countries meet carbon neutrality goals

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Advances in Climate Change Research 2022年第4期13卷 564-577页

作者： Xiaopu SUN Pu WANG Tad FERRIS Hui LIN Gabrielle DREYFUS Bai-He GU Durwood ZAELKE Yi WANG Institute for Governance&Sustainable Development Washington DC20016USA Institutes of Science and Development Chinese Academy of SciencesBeijing 100190China School of Public Policy and Management University of Chinese Academy of SciencesBeijing 100049China Department of Physics Georgetown UniversityWashington DC20057USA Bren School of Environmental Science&Management University of California Santa BarbaraSanta Barbara CA 93106USA

Scientific studies show that fast actions to reduce near-term warming are essential to slowing self-reinforcing climate feedbacks and avoiding irreversible tipping *** cutting CO_(2) emissions only marginally impacts near-term warming,This study identifies two of the most ffective mitigation strategies to limit near-term warming beyond CO_(2) mitigation,namely reducing short-lived climate pollutants(SLCPs)and promoting targeted nature-based solutions(NbS),and comprehensively reviews the latest scientifie progress in these *** show that quickly reducing SLCP emissions,particularly hydrofuorocarbons(HFCs),methane,and black carbon,from ll relevant sectors can avoid up to 0.6℃ of warming by ***,promoting targeted NbS that protect and enhance natural carbon sinks ncluding in forests,wetlands,grasslands,and agricultural lands,can avoid emssions of 23.8 Gt of CO_(2)e per year in 2030,without jeopardizing food security and *** on the scientific evidence,we provided a series of policy recommendations on SLCPs and NbS,including:1)implementing the Kigali Amendment to reduce HFC emissions;2)deploying cost-effective,sector-based measures to reduce methane and black carbon emissions;and 3)implementing targeted NbS to protect and enhance existing carbon sinks and shifting away from forest-burning *** fast-acting strategies on SLCPs and NbS will play a key role in securing the most avoided warming in the near-term and help countries meet their mid-century carbon neutrality ***,we proposed future research topics,including:improving measurement and monitoring systems and techniques for SLCP emissions;developing and improving assessments of marginal abatement costs for SLCP mitigation in dfferent sectors;better quantifying the avoided warming potential from protecting dfferent types of natural carbon sinks by 2030,2050,and over longer periods;and identifying whether there are any biomass types for energy sources that

关键词： Non-CO_(2)mitigation Short-lived elimate pollutants Climate feedbacks and tipping points Near-term warming Methane Hydrofuorocarbons(HFCs) black carbon Nature-based solutions(NbS)

Nutrient cycling and greenhouse gas emissions from soil amended with biochar-manure mixtures

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Pedosphere 2021年第2期31卷 289-302页

作者： Carlos M.ROMERO Chunli LI Jen OWENS Gabriel O.RIBEIRO Tim A.MCALLISTER Erasmus OKINE Xiying HAO Agriculture and Agri-Food Canada Lethbridge Research and Development CentreLethbridgeAlberta T1J 4B1(Canada) Department of Biological Sciences Faculty of Arts&SciencesUniversity of LethbridgeLethbridgeAlberta T1K 3M4(Canada) Department of Animal and Poultry Science University of SaskatchewanSaskatoonSaskatchewan S7N 5A8(Canada)

Integrating biochar into cattle diets has recently emerged as a potential management practice for improving on-farm ***,information concerning the cycling of biochar-manure mixtures is scarce.A 70-d incubation experiment was conducted within two surface(0–15 cm)Mollisols with contrasting textures,i.e.,sandy clay loam(Raymond)and clayey(Lethbridge),to evaluate the effects of biochar(3 Mg ha^(-1))on cumulative greenhouse gas(GHG)emissions and related fertility attributes in the presence or absence of cattle manure(120 Mg ha^(-1)).Five treatments were included:i)non-amended soil(control,CK),ii)soil amended with pinewood biochar(B),iii)soil amended with beef cattle manure(M)(manure from cattle on a control diet),iv)soil amended with biochar-manure(BM)(manure from cattle on a control diet,with pinewood biochar added at 20 g kg^(-1)of diet dry matter),and v)soil amended with B and M at the aforementioned rates(B+M).A total of 40 soil columns were prepared and incubated at 21℃and 60%–80%water-holding *** average,total CO_(2)fluxes increased by 2.2-and 3.8-fold under manure treatments(i.e.,M,BM,and B+M),within Raymond and Lethbridge soils,respectively,relative to CK and ***,total CH4 fluxes were the highest(Pcarbon in both soils,with BM augmenting(Pcarbon over CK and *** can be concluded that biochar,manure,and/or biochar-manure have contrasting short-term effects on the biogeochemistry of *** relatively low application rates,biochar does not necessarily counterbalance manure-derived inpu

关键词： animal husbandry black carbon carbon dioxide methane Orthic black Chernozem soil fertility

Influence of South Asian Biomass Burning on Ozone and Aerosol Concentrations Over the Tibetan Plateau

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Advances in Atmospheric Sciences 2022年第7期39卷 1184-1197,I0002-I0013页

作者： Junhua YANG Shichang KANG Yuling HU Xintong CHEN Mukesh RAI State Key Laboratory of Cryospheric Science Northwest Institute of Eco-Environment and ResourcesChinese Academy of Sciences(CAS)Lanzhou 730000China University of Chinese Academy of Sciences Beijing 100049China CAS Center for Excellence in Tibetan Plateau Earth Sciences Beijing 100101China

In this work,the influence of South Asian biomass burning emissions on O_(3) and PM_(2.5)concentrations over the Tibetan Plateau(TP)is investigated by using the regional climate chemistry transport model *** simulation is validated by comparing meteorological fields and pollutant concentrations against in situ observations and gridded datasets,providing a clear perspective on the spatiotemporal variations of O_(3) and PM_(2.5)concentrations across the Indian subcontinent,including the Tibetan *** sensitivity simulations and analyses show that emissions from South Asian biomass burning mainly affect local O_(3) *** example,contribution ratios were up to 20%in the Indo-Gangetic Plain during the pre-monsoon season but below 1%over the TP throughout the year *** contrast,South Asian biomass burning emissions contributed more than 60%of PM_(2.5)concentration over the TP during the pre-monsoon season via significant contribution of primary PM_(2.5)components(black carbon and organic carbon)in western India that were lofted to the TP by westerly ***,it is suggested that cutting emissions from South Asian biomass burning is necessary to alleviate aerosol pollution over the TP,especially during the pre-monsoon season.

关键词： South Asian biomass burning ozone aerosol black carbon Tibetan Plateau

THE RADIATIVE EFFECTS OF ANTHROPOGENIC AEROSOLS OVER CHINA AND THEIR SENSITIVITY TO SOURCE EMISSION

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Journal of Tropical Meteorology 2016年第1期22卷 94-108页

作者：马星星刘红年王学远张仁健 School of Atmospheric sciences Nanjing University Institute of Atmospheric Physics Chinese Academy of Sciences

In this paper,the RIEMS 2.0 model,source emission in 2006 and 2010 are used to simulate the distributions and radiative effects of different anthropogenic aerosols over *** comparison between the results forced by source emissions in 2006 and 2010 also reveals the sensitivity of the radiative effects to source *** results are shown as follows:(1) Compared with those in 2006,the annual average surface concentration of sulfate in 2010 decreased over central and eastern China with a range of-5 to 0 μg/m^3;the decrease of annual average aerosol optical depth of sulfate over East China varied from 0.04 to 0.08;the annual average surface concentrations of BC,OC and nitrate increased over central and eastern China with maximums of 10.90,11.52 and 12.50μg/m^3,respectively;the annual aerosol optical depths of BC,OC and nitrate increased over some areas of East China with extremes of 0.006,0.007 and 0.008,respectively.(2)For the regional average results in 2010,the radiative forcings of sulfate,BC,OC,nitrate and their total net radiative forcing at the top of the atmosphere over central and eastern China were-0.64,0.29,-0.41,-0.33 and-1.1 W/m^2,*** with those in 2006,the radiative forcings of BC and OC in 2010 were both enhanced,while that of sulfate and the net radiative forcing were both weakened over East China mostly.(3)The reduction of the cooling effect of sulfate in 2010 produced a warmer surface air temperature over central and eastern China;the maximum value was 0.25 *** cooling effect of nitrate was also slightly *** warming effect of BC was enhanced over most of the areas in China,while the cooling effect of OC was enhanced over the similar area,particularly the area between Yangtze and Huanghe *** net radiative effect of the four anthropogenic aerosols generated the annual average reduction and the maximum reduction were-0.096 and-0.285 K,respectively,for the surface temperature in 2006,while in 2010 they were-0.0

关键词： aerosol radiative effect radiative forcings sulfate nitrate organic carbon black carbon

Microwave-assisted combustion to produce benzene polycarboxylic acids as molecular markers for biochar identification and quantification

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Biochar 2021年第4期3卷 407-418页

作者： Bruno Glaser Marie Guenther Heike Maennicke Tobias Bromm Institute of Agricultural and Nutritional Sciences Soil BiogeochemistryMartin Luther University Halle-Wittenbergvon-Seckendorff-Platz 306120 HalleGermany

Biochar is a promising carbon dioxide removal(CDR)technology for climate change *** procedures for its determination are lengthy,labor-intensive,and difficult to *** polycarboxylic acids(BPCA)are the most promising molecular markers for identification and quantification of biochar and its quality as they specifically represent the stable polyaromatic backbone of ***,using the BPCA method,its stability and,thus,its C sequestration potential could be used for CDR *** current BPCA method relies on a specific high-pressure digestion apparatus,which is not available around the ***,the aims of the present work were(i)to compare the conventional high-pressure nitric acid oxidation with a microwave-assisted digestion technique and optimize the oxidation conditions in such a way that previous results are comparable with future ones,and(ii)to significantly reduce the digestion time of soil samples of 8 h and to develop a suitable routine method that produces comparable and reproducible *** this purpose,soil and control sample series were prepared for different *** results were compared with the values of the conventional method both for individual samples and for the whole dataset *** ensure the representative-ness of the results,in addition to various soil samples with different properties,we included two reference materials into our data set,one without biochar(wheat flour)and a biochar *** results showed that conventional nitric acid oxidation in the BPCA determination at 170°C and 8 h can be substituted by digestion in a microwave reaction system(CEM Mars6)at 190°C and 1 *** results further showed that this condition needs to be strictly matched,because,otherwise,over-or underestimation of biochar quantity and/or quality will be the *** goal of a less time-consuming BPCA extrac-tion from soil samples was achieved by reducing the extraction t

关键词： Biochar black carbon Pyrogenic carbon Analysis Molecular marker Microwave-assisted combustion

Predicting the effect of dissolved humic acid on sorption of benzotriazole to biochar

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Biochar 2022年第1期4卷 959-971页

作者： Lin Wu Xiaoli Zhao Erping Bi School of Water Resources and Environment Beijing Key Laboratory of Water Resources and Environmental Engineeringand MOE Key Laboratory of Groundwater Circulation and Environmental EvolutionChina University of Geosciences(Beijing)Beijing 100083China China Geological Survey(CGS)&Hebei Province Key Laboratory of Groundwater Contamination and Remediation Institute of Hydrogeology and Environmental GeologyChinese Academy of Geological SciencesShijiazhuang 050061China

Dissolved organic matter plays a critical role in affecting sorption properties of biochar for organic *** this study,dissolved humic acid(DHA)as a representative of dissolved organic matter and oak sawdust-derived biochar as a sorbent were prepared and *** of DHA in sorption of benzotriazole(BTA),an emerging organic contaminant,to biochar in different electrolyte solutions were *** results revealed the dual roles of DHA in BTA sorption to *** the one hand,DHA can compete for sites and/or block pores available for BTA to inhibit the adsorption of BTA to *** the other hand,the sorbed DHA on biochar can serve as additional partitioning phase to promote the partition of *** finding was in accordance with the site energy distribution analysis of BTA sorption that the site energy of the highest occurring frequency in the DHA-BTA system was lower than that in the DHA-free system(3.41-10.4 versus 13.1-20.1 kJ mol^(−1)).The variation in apparent BTA sorption to biochar affected by DHA was thus a combination of changes in both its partition and adsorption properties.A modified Dual-mode model including the aqueous concentration of DHA was proposed to predict the effect of DHA on BTA sorption to biochar in different electrolyte solutions,which showed good prediction performance with most BTA sorption coefficient(K_(d),L g^(−1))deviations within 0.1 log unit.

关键词： Emerging organic contaminant black carbon Dissolved organic matter Sorption Site energy distribution

Psychosocial Stress Modifies the Acute Cardiac Health Effects of Traffic-Related Air Pollution

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Environment & Health 2024年第1期2卷 11-22页

作者： Tongjun Guo Wanzhou Wang Xi Chen Huaqi Guo Kai Wang Yating Ma Hongyan Deng Xianggui Li Anqi Shan Qian Wu Yaoyan Li Hongyu Li Qisijing Liu Juan Chen Yang Lan Jian Lei Furong Deng Zhiwei Sun Xinbiao Guo Shaowei Wu Yan Wang Naijun Tang Department of Occupational and Environmental Health Sciences School of Public HealthPeking UniversityBeijing 100191China Department of Occupational and Environmental Health Tianjin Key Laboratory of EnvironmentNutrition and Public HealthSchool of Public HealthTianjin Medical UniversityTianjin 300070China Department of Respiratory and Critical Care Medicine The Ninth People’s Hospital of Shanghai Jiao Tong University School of MedicineShanghai 200025China Department of Occupational and Environmental Health School of Public HealthXi’an Jiaotong University Health Science CenterXi’anShaanxi 710049China Key Laboratory of Trace Elements and Endemic Diseases in Ministry of Health Xi’anShaanxi 710049China Key Laboratory for Disease Prevention and Control and Health Promotion of Shaanxi Province Xi’anShaanxi 710049China Institute of Social Psychology School of Humanities and Social SciencesXi’an Jiaotong UniversityXi’anShaanxi 710049China Qinglongqiao Community Health Service Centre Beijing 100091China Key Laboratory of Environment and Genes Related to Diseases(Xi’an Jiaotong University) Ministry of EducationXi’an 710061China School of Public Health Shanghai Jiao Tong University School of MedicineShanghai 200025China Department of HAI Management Tianjin Huanhu HospitalTianjin 300060China Office for National Clinical Research Center for Geriatric Diseases Beijing HospitalNational Center of GerontologyInstitute of Geriatric MedicineChinese Academy of Medical SciencesBeijing 100005China Research Institute of Public Health School of MedicineNankai University300071 TianjinChina Department of Toxicology and Sanitary Chemistry School of Public HealthCapital Medical UniversityBeijing 100069China Beijing Key Laboratory of Environmental Toxicology Capital Medical UniversityBeijing 100069China The Ninth People’s Hospital of Shanghai Jiao Tong University School of Medicine Shanghai 200011China

Previous studies have shown that exposure to black carbon(BC,a tracer of traffic-related air pollution)and psychosocial stress are both associated with adverse cardiac effects,but whether psychosocial stress could modify the cardiac effects of BC is *** investigate the potential modifying effect of psychosocial stress on the associations between acute exposure to BC and typical cardiac health variables,real-time personal 24 h measurements were conducted in a repeated-measure study among adults with elevated blood pressure(high-risk group)and a panel study among normal adults(low-risk group)in *** cardiac health variables included ST-segment depression events,heart rate,and heart rate variability(HRV)*** Stress Scale,State Anxiety Inventory and Self-rating Depression Scale were used to assess the recent psychosocial stress status of the participants,and a composite stress index was established based on these *** linear mixed-effects model was used to analyze the associations between BC exposure and cardiac health variables and potential effect modification by psychosocial stress.A total of 9724 h measurements among 97 participants in the repeated-measure study and 20224 h measurements among 87 participants in the panel study were included in the final *** BC exposure was significantly associated with increased ST-segment depression events and heart rate and decreases in HRV in both *** marginal effects of acute BC exposure on most cardiac health variables generally tended to be amplified under higher vs low levels of psychosocial stress in both studies,with the composite stress index apparently modifying the associations of BC exposure with most ST-segment depression events and HRV *** findings suggest that psychosocial stress may increase the participants’cardiac susceptibility to BC exposure,which could be helpful for the identification of susceptible individuals in the context of traff

关键词： Air pollution black carbon Cardiac health Effect modification Psychosocial stress

Chemical components of ambient particulate air pollution affecting suicides in Thailand

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Emerging Contaminants 2022年第1期8卷 304-309页

作者： Kriangsak Jenwitheesuk Surapol Virasiri Kamonwan Jenwitheesuk Udomlack Peansukwech Suwanna Arunpongpaisal Nuttakorn Nampathong Faculty of Medicine Khon Kaen UniversityKhon KaenThailand CKDnet Khon Kaen UniversityKhon KaenThailand Khon Kaen Rajanakarindra Psychiatric Hospital Khon KaenThailand

This research studied correlation between suicide risks and chemical components of particulate matter in *** employed satellite data on atmospheric particulate *** for correlation between data on chemical components of particulate matterda type of accumulated pollution in Thailand from 2010 to 2017dand suicidal incidents in *** methodologies consisted of Bayesian hierarchical spatiotemporal model and the Poisson log-linear model,which referred to the NASA database;aerosol diagnostics model,Modern-Era Retrospective Analysis for Research and Applications,Version 2(MERRA-2);and database from the Bureau of Policy and Strategy Ministry of Public Health,Thailand.A total of 4,756 patients selected for this study accounted for annual suicide rate of 7.16 per 100,000 *** in Thailand are related to chemical components of particulate *** research thus found that every 1 mg/m^(3)increase of dust-PM2.5,only PM2.5 was related to the risks of suicide(which increased for approximately 63.5%).black carbon,Organic carbon,and sulfate,however,had no statistically significant *** of atmospheric accumulated dust-PM2.5 correlated to increase in suicide risks,with statistical significance.

关键词： Suicides Air pollution Dust-PM2.5 black carbon Organic carbon Sulfate MERRA-2