DFT insights into the hydrodenitrogenation mechanism of quinoline catalyzed by different Ni-promoted MoS2 edge sites: Effect of the active phase morphology (English)
- New search for: Zheng, Peng
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https://orcid.org/0000-0001-5964-7544
- New search for: Xu, Chunming
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- New search for: Xu, Chunming
In:
Journal of Hazardous Materials
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411
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2021
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ISSN:
- Article (Journal) / Electronic Resource
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Title:DFT insights into the hydrodenitrogenation mechanism of quinoline catalyzed by different Ni-promoted MoS2 edge sites: Effect of the active phase morphology
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Contributors:Zheng, Peng ( author ) / Xiao, Chengkun ( author ) / Song, Shaotong ( author ) / Duan, Aijun ( author ) / Xu, Chunming ( author )
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Published in:
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2021-01-08
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 411
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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A novel process on the recovery of zinc and manganese from spent alkaline and zinc-carbon batteriesHu, Xianfeng / Robles, Astrid / Vikström, Tommy / Väänänen, Pekka / Zackrisson, Mats / Ye, Guozhu et al. | 2020
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Can heavy metal pollution induce bacterial resistance to heavy metals and antibiotics in soils from an ancient land-mine?Zhong, Qinmei / Cruz-Paredes, Carla / Zhang, Shirong / Rousk, Johannes et al. | 2020
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Zn-based metal organic framework-covalent organic framework composites for trace lead extraction and fluorescence detection of TNPLi, Wei-Tao / Hu, Zheng-Jie / Meng, Jie / Zhang, Xuan / Gao, Wei / Chen, Ming-Li / Wang, Jian-Hua et al. | 2020
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Characterization of the role of esterases in the biodegradation of organophosphate, carbamate, and pyrethroid pesticidesBhatt, Pankaj / Zhou, Xiaofan / Huang, Yaohua / Zhang, Wenping / Chen, Shaohua et al. | 2020
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Collection and decomposition of oil mist via corona discharge and surface dielectric barrier dischargeKang, Myung Soo / Yu, Gihyeon / Shin, Jaeuk / Hwang, Jungho et al. | 2021
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Fabrication of silver nanowire coated fibrous air filter medium via a two-step process of electrospinning and electrospray for anti-bioaerosol treatmentPark, Kyuhyun / Kang, Sangmo / Park, Ji-woon / Hwang, Jungho et al. | 2021
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Transforming wet blue leather and potato peel into an eco-friendly bio-organic NPK fertilizer for intensifying crop productivity and retrieving value-added recyclable chromium saltsMajee, Subhasish / Halder, Gopinath / Mandal, Dalia Dasgupta / Tiwari, O.N. / Mandal, Tamal et al. | 2021
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Improving urban drainage systems to mitigate PPCPs pollution in surface water: A watershed perspectiveZhao, Xue / Zheng, Yi / Hu, Shiyao / Qiu, Wenhui / Jiang, Jiping / Gao, Chuanzi / Xiong, Jianzhi / Lu, Haiyan / Quan, Feng et al. | 2021
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Exhaustive characterization of (semi-)volatile organic contaminants in car dust using comprehensive two-dimensional gas chromatography ‒ Time-of-flight mass spectrometryHurtado-Fernández, E. / Velázquez-Gómez, M. / Lacorte, S. / Ramos, L. et al. | 2021
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Effect of growth conditions on cell wall composition and cadmium adsorption in Chlorella vulgaris: A new approach to biosorption researchSoto-Ramírez, Robinson / Lobos, Maria-Gabriela / Córdova, Olivia / Poirrier, Paola / Chamy, Rolando et al. | 2021
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Endoplasmic reticulum stress manipulates autophagic response that antagonizes polybrominated diphenyl ethers quinone induced cytotoxicity in microglial BV2 cellsZhu, Qiushuang / Liu, Zixuan / Wang, Yuting / Song, Erqun / Song, Yang et al. | 2020
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Flexible fiber-shaped hydrogen gas sensor via coupling palladium with conductive polymer gel fiberZhu, Zhengyou / Liu, Congcong / Jiang, Fengxing / Liu, Jing / Liu, Guoqiang / Ma, Xiumei / Liu, Peipei / Huang, Rui / Xu, Jingkun / Wang, Lei et al. | 2020
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Metal-organic frameworks functionalized smart textiles for adsorptive removal of hazardous aromatic pollutants from ambient airJhinjer, Hardeep Singh / Singh, Arunima / Bhattacharya, Saswata / Jassal, Manjeet / Agrawal, Ashwini K. et al. | 2021
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Energy-efficient capture of volatile organic compounds from humid air by granular metal organic gelZheng, Xianming / Zhang, Huiyu / Rehman, Sadia / Zhang, Pengyi et al. | 2021
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Nanometer CeO2 doped high silica ZSM-5 heterogeneous catalytic ozonation of sulfamethoxazole in waterZuo, Xingtao / Ma, Senlin / Wu, Qiyuan / Xiong, Juan / He, Jiajie / Ma, Cong / Chen, Zhongbing et al. | 2021
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Coupling experiments with calculations to understand the thermodynamics evolution for the sorption of zwitterionic ciprofloxacin on oxidizing-aged pyrogenic chars in the aquatic systemZhu, Shishu / Wang, Pan / Yang, Xiao-bao / Jin, Chao / Qiu, Rongliang et al. | 2021
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DFT insights into the hydrodenitrogenation mechanism of quinoline catalyzed by different Ni-promoted MoS2 edge sites: Effect of the active phase morphologyZheng, Peng / Xiao, Chengkun / Song, Shaotong / Duan, Aijun / Xu, Chunming et al. | 2021
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Inter-regional multimedia fate analysis of PAHs and potential risk assessment by integrating deep learning and climate change scenariosNam, Ki Jeon / Li, Qian / Heo, Sung Ku / Tariq, Shahzeb / Loy-Benitez, Jorge / Woo, Tae Yong / Yoo, Chang Kyoo et al. | 2021
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Transformation of TiO2 (nano)particles during sewage sludge incinerationWielinski, Jonas / Voegelin, Andreas / Grobéty, Bernard / Müller, Christoph R. / Morgenroth, Eberhard / Kaegi, Ralf et al. | 2020
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Synthesis of Fe0/Fe3O4@porous carbon through a facile heat treatment of iron-containing candle soots for peroxymonosulfate activation and efficient degradation of sulfamethoxazoleYan, Yating / Zhang, Huayu / Wang, Wei / Li, Wenchao / Ren, Yueping / Li, Xiufen et al. | 2020
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Bioaugmentation with Acidithiobacillus species accelerates mineral weathering and formation of secondary mineral cements for hardpan development in sulfidic Pb-Zn tailingsLiu, Yunjia / Wu, Songlin / Southam, Gordon / Chan, Ting-Shan / Lu, Ying-Rui / Paterson, David J. / Huang, Longbin et al. | 2020
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Effects of microplastic accumulation on floc characteristics and fouling behavior in a membrane bioreactorMaliwan, Thitiwut / Pungrasmi, Wiboonluk / Lohwacharin, Jenyuk et al. | 2020
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Template-assisted Cu2O@Fe(OH)3 yolk-shell nanocages as biomimetic peroxidase: A multi-colorimetry and ratiometric fluorescence separated-type immunosensor for the detection of ochratoxin AZhu, Hongshuai / Cai, Yue / Qileng, Aori / Quan, Zhu / Zeng, Wei / He, Kaiyu / Liu, Yingju et al. | 2021
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Bacterial community profiling of floating plastics from South Mediterranean sites: First evidence of effects on mussels as possible vehicles of transmissionBandini, Francesca / Hchaichi, Ilef / Zitouni, Nesrin / Missawi, Oumayma / Cocconcelli, Pier Sandro / Puglisi, Edoardo / Banni, Mohamed et al. | 2021
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Fungal enzymes for the degradation of polyethylene: Molecular docking simulation and biodegradation pathway proposalSantacruz-Juárez, Ericka / Buendia-Corona, Ricardo E. / Ramírez, Ramsés E. / Sánchez, Carmen et al. | 2021
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Optimizing the metal-support interactions at the Pd-polymer carbon nitride Mott-Schottky heterojunction interface for an enhanced electrocatalytic hydrodechlorination reactionJiang, Kanxin / Shi, Xuelin / Chen, Min / Lv, Xiaoshu / Gong, Haifeng / Shen, Yu / Wang, Peng / Dong, Fan / Liu, Min / Zhang, Xianming et al. | 2021
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Physiological and metagenomic strategies uncover the rhizosphere bacterial microbiome succession underlying three common environmental stresses in cassavaZeng, Hongqiu / Xu, Haoran / Liu, Guoyin / Wei, Yunxie / Zhang, Jiachao / Shi, Haitao et al. | 2021
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A composite adsorbent of ZnS nanoclusters grown in zeolite NaA synthesized from fly ash with a high mercury ion removal efficiency in solutionLi, Yu / Yang, Liyun / Li, Xinxue / Miki, Takahiro / Nagasaka, Tetsuya et al. | 2021
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Photolysis of N-chlorourea and its effect on urea removal in a combined pre-chlorination and UV254 processYang, Qian / Guo, Yang / Xu, Jie / Wu, Xingyi / He, Bingying / Blatchley, Ernest R. III / Li, Jing et al. | 2021
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Biotransformation of doxycycline by Brevundimonas naejangsanensis and Sphingobacterium mizutaii strainsHe, Ting / Bao, Jianguo / Leng, Yifei / Snow, Daniel / Kong, Shuqiong / Wang, Tong / Li, Xu et al. | 2021
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Evaluating sewer exfiltration in groundwater by pharmaceutical tracers after the 2016 Kumamoto earthquakes, JapanKobayashi, Jun / Kuroda, Keisuke / Miyamoto, Chinatsu / Uchiyama, Yukiko / Sankoda, Kenshi / Nakajima, Daisuke et al. | 2021
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Editorial Board| 2021
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Sensitive and label-free chemiluminescence detection of malathion using exonuclease-assisted dual signal amplification and G-quadruplex/hemin DNAzymeWu, Hao / Wu, Jun / Wang, Hongyong / Liu, Yaling / Han, Guoqing / Zou, Pei et al. | 2020
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Arsenic release to the environment from hydrocarbon production, storage, transportation, use and waste managementSchreiber, Madeline E. / Cozzarelli, Isabelle M. et al. | 2020
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Bioaccessibility evaluation of pharmaceuticals in market fish with in vitro simulated digestionHao, Jiaoyang / He, Yi / Hu, Xialin / Yin, Daqiang / Zhang, Hongchang / Hu, Shuangqing / Shen, Genxiang et al. | 2020
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Study on soil physical structure after the bioremediation of Pb pollution using microbial-induced carbonate precipitation methodologyChen, Minjie / Li, Yafei / Jiang, Xiaoru / Zhao, Dingran / Liu, Xuefeng / Zhou, Jianlin / He, Zhanfei / Zheng, Chunli / Pan, Xiangliang et al. | 2021
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Poly(hexamethylene biguanide) (PHMB) as high-efficiency antibacterial coating for titanium substratesPeng, Jiangmei / Liu, Peiming / Peng, Wan / Sun, Jin / Dong, Xiaohan / Ma, Zhuangzhuang / Gan, Donglin / Liu, Pingsheng / Shen, Jian et al. | 2021
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Effective degradation of sulfur mustard simulant using novel sulfur-doped mesoporous zinc oxide under ambient conditionsMahayoni, Eunike / Min, Sein / Kim, Jongsik / Jeong, Keunhong / Kim, Sang Hoon et al. | 2020
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Simulating PFAS adsorption kinetics, adsorption isotherms, and nonideal transport in saturated soil with tempered one-sided stable density (TOSD) based modelsZhou, Dongbao / Brusseau, Mark L. / Zhang, Yong / Li, Shiyin / Wei, Wei / Sun, HongGuang / Zheng, Chunmiao et al. | 2021
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COVID-19: Performance study of microplastic inhalation risk posed by wearing masksLi, Lu / Zhao, Xiaoli / Li, Zhouyang / Song, Kang et al. | 2020
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Acetylation regulation associated with the induction of protective response to polystyrene nanoparticles in Caenorhabditis elegansLiu, Huanliang / Tian, Lijie / Qu, Man / Wang, Dayong et al. | 2020
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Legacy and emerging per- and poly-fluoroalkyl substances in surface seawater from northwestern Pacific to Southern Ocean: Evidences of current and historical releaseShan, Guoqiang / Qian, Xiang / Chen, Xin / Feng, Xuemin / Cai, Minghong / Yang, Liping / Chen, Meng / Zhu, Lingyan / Zhang, Shufeng et al. | 2021
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Uranium sequestration abilities of Bacillus bacterium isolated from an alkaline mining regionBanala, Uday Kumar / Indradyumna Das, Nilamadhab Prasad / Toleti, Subba Rao et al. | 2021
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Rapid recovery of inhibited denitrification with cascade Cr(VI) exposure by bio-accelerant: Characterization of chromium distributions, EPS compositions and denitrifying communitiesZhou, Xu / Zhai, Siyuan / Zhao, Yingxin / Liu, Duo / Wang, Qian / Ji, Min et al. | 2021
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Synergistic effects of antimony and arsenic contaminations on bacterial, archaeal and fungal communities in the rhizosphere of Miscanthus sinensis: Insights for nitrification and carbon mineralizationYu, Huang / Zheng, Xiafei / Weng, Wanlin / Yan, Xizhe / Chen, Pubo / Liu, Xingyu / Peng, Tao / Zhong, Qiuping / Xu, Kui / Wang, Cheng et al. | 2021
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Light-responsive Au nanoclusters with oxidase-like activity for fluorescent detection of total antioxidant capacityNi, Pengjuan / Liu, Siyuan / Wang, Bo / Chen, Chuanxia / Jiang, Yuanyuan / Zhang, Chenghui / Chen, Jianbin / Lu, Yizhong et al. | 2021
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Effects of different dissolved organic matter on microbial communities and arsenic mobilization in aquifersWang, Yanhong / Zhang, Guanglong / Wang, Helin / Cheng, Yu / Liu, Han / Jiang, Zhou / Li, Ping / Wang, Yanxin et al. | 2021
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Nitrite-responsive hydrogel for long-term and smart control of cyanobacteria bloomXiong, Jialiang / Xie, Ruoxiao / Zhang, Huiying / Gao, Jianyi / Wang, Jiaping / Liang, Qionglin et al. | 2021
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Copper in LaMnO3 to promote peroxymonosulfate activation by regulating the reactive oxygen species in sulfamethoxazole degradationGao, Panpan / Tian, Xike / Fu, Wei / Wang, Yanxin / Nie, Yulun / Yang, Chao / Deng, Yang et al. | 2021
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Blue/yellow emissive carbon dots coupled with curcumin: a hybrid sensor toward fluorescence turn-on detection of fluoride ionZhang, Xiang / Tan, Xiaoyan / Hu, Yaoping et al. | 2021
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Biocidal chitosan-magnesium oxide nanoparticles via a green precipitation processKarthikeyan, Chandrasekaran / Sisubalan, Natarajan / Sridevi, Mani / Varaprasad, Kokkarachedu / Ghouse Basha, Mohamed Hussain / Shucai, Wang / Sadiku, Rotimi et al. | 2020
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Electrolytic manganese residue-based cement for manganese ore pit backfilling: Performance and mechanismLan, Jirong / Sun, Yan / Tian, Hong / Zhan, Wei / Du, Yaguang / Ye, Hengpeng / Du, Dongyun / Zhang, Tian C. / Hou, Haobo et al. | 2020
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Fecal indicators, pathogens, antibiotic resistance genes, and ecotoxicity in Galveston Bay after Hurricane HarveyYang, Shih-Hung / Chen, Chih-Hung / Chu, Kung-Hui et al. | 2020
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Rapidly changing coal-related city-level atmospheric mercury emissions and their driving forcesGuo, Yaqin / Xiao, Lin / Chen, Bin / Wu, Zhujuan / Chen, Huanxin / Li, Jiashuo et al. | 2021
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Synergistic effects of carbon nanoparticle-Cr-Pb in PM2.5 cause cell cycle arrest via upregulating a novel lncRNA NONHSAT074301.2 in human bronchial epithelial cellsPan, Xiujiao / Wu, Jialong / Jiang, Cuijuan / Yu, Qianhui / Yan, Bing et al. | 2021
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Concentrations and sources of short- and medium-chain chlorinated paraffins in farmed Chinese mitten crabs in ChinaDong, Shujun / Zhang, Su / Zou, Yun / Fan, Mengdie / Wang, Yaxin / Cheng, Jie / Wang, Ruiguo / Li, Tong / Li, Xiaomin / Wang, Peilong et al. | 2021
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Efficient removal of Co(II) and Sr(II) from aqueous solution using polyvinyl alcohol/graphene oxide/MnO2 composite as a novel adsorbentHuo, Jiangbo / Yu, Guoce / Wang, Jianlong et al. | 2021
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New insights into the role of calcium in the bioreduction of uranium(VI) under varying pH conditionsXie, Jinchuan / Wang, Jinlong / Lin, Jianfeng et al. | 2021
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Heavy metal could drive co-selection of antibiotic resistance in terrestrial subsurface soilsWang, Xiaomin / Lan, Bangrui / Fei, Hexin / Wang, Shanyun / Zhu, Guibing et al. | 2020
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Cu2+/Cu+ cycle promoted PMS decomposition with the assistance of Mo for the degradation of organic pollutantZhou, Xin / Luo, Haopeng / Sheng, Bo / Chen, Xingyu / Wang, Yihao / Chen, Quanyuan / Zhou, Juan et al. | 2021
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Gamma-irradiation-induced molecular-weight distribution and complexation affinity of humic acid with Cs+, Sr2+, and Eu3+Zhao, Qi / Kobayashi, Taishi / Saito, Takeshi / Sasaki, Takayuki et al. | 2021
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Electrochemical microgap immunosensors for selective detection of pathogenic Aspergillus nigerLee, Jisu / Kim, Semee / Chung, Ha Young / Kang, Aeyeon / Kim, Seunghun / Hwang, Heeyoun / Yang, Sung Ik / Yun, Wan Soo et al. | 2021
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Predicting the risk of GenX contamination in private well water using a machine-learned Bayesian network modelRoostaei, Javad / Colley, Sarah / Mulhern, Riley / May, Andrew A. / Gibson, Jacqueline MacDonald et al. | 2021
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Direct imaging evidences of metal inorganic contaminants traced into cigarettesMatassa, Roberto / Cattaruzza, Maria Sofia / Sandorfi, Filippo / Battaglione, Ezio / Relucenti, Michela / Familiari, Giuseppe et al. | 2021
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Associations of prenatal exposure to vanadium with early-childhood growth: A prospective prenatal cohort studyLi, Chunhui / Wu, Chuansha / Zhang, Jingjing / Li, Yuanyuan / Zhang, Bin / Zhou, Aifen / Liu, Wenyu / Chen, Zhong / Li, Ruizhen / Cao, Zhongqiang et al. | 2021
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Increase in arsenic methylation and volatilization during manure composting with biochar amendment in an aeration bioreactorZhai, Weiwei / Guo, Ting / Yang, Su / Gustave, Williamson / Hashmi, Muhammad Zaffar / Tang, Xianjin / Ma, Lena Q. / Xu, Jianming et al. | 2021
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A tandem activation of NLRP3 inflammasome induced by copper oxide nanoparticles and dissolved copper ion in J774A.1 macrophageTao, Xiaoqi / Wan, Xulin / Wu, Di / Song, Erqun / Song, Yang et al. | 2021
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Synergistic adsorption behavior of a silica-based adsorbent toward palladium, molybdenum, and zirconium from simulated high-level liquid wasteWu, Hao / Kim, Seong-Yun / Miwa, Misako / Matsuyama, Shigeo et al. | 2021
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Combined exposure of alumina nanoparticles and chronic stress exacerbates hippocampal neuronal ferroptosis via activating IFN-γ/ASK1/JNK signaling pathway in ratsZhang, Haiyang / Jiao, Wenjing / Cui, Hailin / Sun, Qinghong / Fan, Honggang et al. | 2021