Qi Yu

Ministry of Ecology and Environment

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Zhihuan Weng

Dalian University of Technology

Shouhai Zhang

Dalian University

Xigao Jian

Dalian University of Technology

Jinyan Wang

Chengdu University of Traditional Chinese Medicine

Cheng Liu

Dalian University

Willie J.G.M. Peijnenburg

Leiden University

Ping Chen

Dalian University of Technology

Jingwen Chen

Dalian University of Technology

Martina G. Vijver

Leiden University

Wenjuan Yao

Dalian University of Technology

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Dalian University of Technology

Dalian University

Chinese Academy of Sciences

University of Chinese Academy of Sciences

Zhejiang University

Monash University

Zhejiang University of Technology

Southeast University

Beijing Institute of Technology

Huazhong University of Science and Technology

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Atmospheric Oxidation of Piperazine Initiated by ·Cl: Unexpected High Nitrosamine Yield

Environmental Science & Technology (2018)

Fangfang Ma Zhezheng Ding Jonas Elm Hong‐Bin Xie Qi Yu

Chlorine radicals (·Cl) initiated amine oxidation plays an important role for the formation of carcinogenic nitrosamine in the atmosphere. Piperazine (PZ) is considered as a potential atmospheric pollutant since it is an alternative solvent to monoethanolamine (MEA), a benchmark solvent in a leading CO2 capture technology. Here, we employed quantum chemical methods and kinetics modeling to investigate ·Cl-initiated atmospheric oxidation of PZ, particularly concerning the potential of PZ to form nitrosamine compared to MEA. Results showed that the ·Cl-initiated PZ reaction exclusively leads to N-center radicals (PZ-N) that mainly react with NO to produce nitrosamine in their further reaction with O2/NO. Together with the PZ + ·OH reaction, the PZ-N yield from PZ oxidation is still lower than that of the corresponding MEA reactions. However, the nitrosamine yield of PZ is higher than the reported value for MEA when [NO] is <5 ppb, a concentration commonly encountered in a polluted urban atmosphere. The unexpected high nitrosamine yield from PZ compared to MEA results from a more favorable reaction of N-center radicals with NO compared to O2. These findings show that the yield of N-center radicals cannot directly be used as a metric for the yield of the corresponding carcinogenic nitrosamine.

Nitrosamine

Piperazine

10.1021/acs.est.8b02510

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Citations (51)

Occurrence of Free Amino Acids in the Source Waters of Zhejiang Province, China, and Their Removal and Transformation in Drinking Water Systems

Water (2019)

Yulong Yang Qi Yu Ruonan Zhou Jiao Feng Kejia Zhang

Free amino acids (FAAs) are key components of the global nitrogen cycle and important disinfection byproduct (DBP) precursors. The knowledge gap of FAA occurrence in source and engineered water is discussed in this paper. Solid phase extraction and post column derivatization was combined with gas chromatography–mass spectrometry to simultaneously detect μg/L concentrations of FAAs. This method efficiently detects alanine (Ala), threonine (Thr), serine (Ser), valine (Val), leucine (Leu), isoleucine (Ile), proline (Pro), aspartic (Asp), phenylalanine (Phe), and glutamic acid (Glu) with good linearity, accuracy, and precision. An investigation of FAAs in surface waters in Zhejiang Province found concentrations of 1.48–14.73 μg/L Ala, 0.20–2.39 μg/L Thr, 0.41–7.84 μg/L Val, 0.21–6.86 μg/L Ser, 0.11–4.16 μg/L Leu, 0.57–1.54 μg/L Ile, 0.24–8.06 μg/L Pro, 0.42–4.73 μg/L Asp, 0.30–3.01 μg/L Phe, and 0.12–3.83 μg/L Glu. Phe and tyrosine (Tyr) exhibited higher trichloromethane (TCM) formation (1029–1148 μg/mmolAA) than dichloroacetonitrile (DCAN) formation (333–347 μg/mmolAA). Asp and Glu demonstrated the opposite trend: higher DCAN (570–1106 μg/mmolAA) formation than TCM (137–506 μg/mmolAA).

Isoleucine

Alanine

10.3390/w12010073

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Citations (19)

An improved active damping method with grid-side current feedback to maximize damping ratio for LCL-type grid-connected inverter

2022 IEEE Energy Conversion Congress and Exposition (ECCE) (2017)

Weibiao Wu Peng Li Qi Yu Qian Liu Zeyi Huang

LCL-type grid-connected inverter is largely utilized in renewable generation system due to high harmonic suppression. In order to tackle the resonance issue induced by LCL-type filters, grid-side current feedback active damping method (GCFADM) without extra sensors has been extensively investigated. However, the damping characteristic under GCFADM has not been fully evaluated. In this paper, an improved GCFADM based on proportional derivative algorithm is proposed to maximize damping ratio which can enlarge the existence steady region. By utilizing root locus analysis method, the maximal damping ratio (MDR) is obtained in classification of the control delay time and the ratio of resonance frequency to sampling frequency respectively. Based on MDR, stability regions of the proposed method are identified. By comparing with different stability regions, the optimized proportional derivative GCFADM can be obtained intuitively as well as the corresponding control parameters. To verify the analyses, simulation and experiment platform are both set up. Simulation and experimental results show that the proposed method can not only achieve the best damping performance, but also manifest strong robust against main circuit variations.

Root locus

Damping ratio

10.1109/ecce.2017.8096933

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Citations (6)

A detailed speciation of iron on FCC catalysts based on an integrated use of advanced characterisation methods and thermodynamic equilibrium simulation

Applied Catalysis A General (2020)

Qiaoqiao Zhou Qi Yu Qianqian Liu Fei Ren Zhenyu Chen

X-ray absorption spectroscopy

Fluid catalytic cracking

10.1016/j.apcata.2020.117597

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Citations (12)

Synthesis and properties of chain‐extended bismaleimide resins containing phthalide cardo structure

Polymer International (2010)

Xuhai Xiong Ping Chen Qi Yu Nengbo Zhu Baichen Wang

Abstract Three novel bismaleimide (BMI) monomers containing phthalide groups in their structures, i.e. 3,3‐bis[4‐(4‐maleimidophenoxy)phenyl]phthalide, 3,3‐bis[4‐(4‐maleimidophenoxy)‐3‐methylphenyl]phthalide and 3,3‐bis[5‐isopropyl‐4‐(4‐maleimidophenoxy)‐2‐methylphenyl]phthalide, based on phenolphthalein, o ‐cresolphthalein and thymolphthalein, respectively, were designed and synthesized. The chemical structures of the monomers were confirmed from 1 H NMR and 13 C NMR spectroscopy and Fourier transform infrared spectroscopy. These monomers exhibit good solubility in common organic solvents, enabling easy solution processing. The thermal curing behavior of the monomers was investigated using differential scanning calorimetry, displaying broad exothermic peaks and large thermal processing windows. Thermogravimetric analysis and dynamic mechanical analysis were used to characterize the thermal stability and thermal mechanical properties of the resulting BMI resins. The results, in contrast to bisphenol A‐based BMI resin, indicate that the incorporation of the phthalide structure into the polybismaleimide network can effectively improve the thermal properties. Water absorption tests of the cured products demonstrate the chemical structure has an effect on moisture resistance. Copyright © 2010 Society of Chemical Industry

Phthalide

Thermogravimetric analysis

Thermal Stability

Phenolphthalein

10.1002/pi.2900

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Citations (49)

Synthesize and introduce bio-based aromatic s-triazine in epoxy resin: Enabling extremely high thermal stability, mechanical properties, and flame retardancy to achieve high-performance sustainable polymers

Chemical Engineering Journal (2020)

Qi Yu Zhihuan Weng Yan Kou Lequn Song Jiahui Li

Thermal Stability

Triazine

Thermosetting polymer

Flexural modulus

Heat deflection temperature

10.1016/j.cej.2020.126881

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Citations (159)

Achieving higher performances without an external curing agent in natural magnolol-based epoxy resin

Chinese Chemical Letters (2021)

Qi Cao Zhihuan Weng Qi Yu Jiahui Li Wentao Liu

Thermosetting polymer

10.1016/j.cclet.2021.09.025

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Citations (38)

Quantum Chemical Study on ·Cl-Initiated Atmospheric Degradation of Monoethanolamine

Environmental Science & Technology (2015)

Hong‐Bin Xie Fangfang Ma Yuanfang Wang Ning He Qi Yu

Recent findings on the formation of ·Cl in continental urban areas necessitate the consideration of ·Cl initiated degradation when assessing the fate of volatile organic pollutants. Monoethanolamine (MEA) is considered as a potential atmospheric pollutant since it is a benchmark and widely utilized solvent in a leading CO2 capture technology. Especially, ·Cl may have specific interactions with the N atom of MEA, which could make the MEA + ·Cl reaction have different pathways and products from those of the MEA + ·OH reaction. Hence, ·Cl initiated reactions with MEA were investigated by a quantum chemical method [CCSD(T)/aug-cc-pVTZ//MP2/6-31+G(3df,2p)] and kinetics modeling. Results show that the overall rate constant for ·Cl initiated H-abstraction of MEA is 5 times faster than that initiated by ·OH, and the tropospheric lifetimes of MEA will be overestimated by 6-46% when assuming that [·Cl]/[·OH] = 1-10% if the role of ·Cl is ignored. The MEA + ·Cl reaction exclusively produces MEA-N that finally transforms into several products including mutagenic nitramine and carcinogenic nitrosamine via further reactions with O2/NOx, and the contribution of ·Cl to their formation is about 25-250% of that of ·OH. Thus, it is necessary to consider ·Cl initiated tropospheric degradation of MEA for its risk assessment.

Degradation

Atmospheric chemistry

10.1021/acs.est.5b03324

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Citations (71)

Quantifying the relative contribution of particulate versus dissolved silver to toxicity and uptake kinetics of silver nanowires in lettuce: impact of size and coating

Nanotoxicology (2020)

Juan Wu Qi Yu Thijs Bosker Martina G. Vijver Willie J.G.M. Peijnenburg

Functionalized high-aspect-ratio silver nanowires (AgNWs) have been recognized as one of the most promising alternatives for fabricating products, with their use ranging from electronic devices to biomedical fields. Given concerns on the safety of AgNWs, there is an urgent need to investigate the relation between intrinsic properties of AgNWs and their toxicity. In this study, lettuce was exposed for either 6 or 18 d to different AgNWs to determine how the size/aspect ratio and coating of AgNWs affect the contributions of the dissolved and particulate Ag to the overall phytotoxicity and uptake kinetics. We found that the uncoated AgNW (39 nm diameter × 8.4 µm length) dissolved fastest of all AgNWs investigated. The phytotoxicity, uptake rate constants, and bioaccumulation factors of the PVP-coated AgNW (43 nm diameter × 1.8 µm length) and the uncoated AgNW (39 nm diameter × 8.4 µm length) were similar, and both were higher than that of the PVP-coated AgNW with the larger diameter(65 nm diameter × 4.4 µm length). These results showed that the diameter of the AgNWs predominantly affected toxicity and Ag accumulation in plants. Particulate Ag was found to be the predominant driver/descriptor of overall toxicity and Ag accumulation in the plants rather than dissolved Ag for all AgNWs tested. The relative contribution of dissolved versus particulate Ag to the overall effects was influenced by the exposure concentration and the extent of dissolution of AgNWs. This work highlights inherent particulate-dependent effects of AgNWs in plants and suggests that toxicokinetics should explicitly be considered for more nanomaterials and organisms, consequently providing more realistic input information for their environmental risk assessment.

Phytotoxicity

10.1080/17435390.2020.1831639

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Citations (14)

Multiple-SO 3 H functioned ionic liquid as efficient curing agent for phthalonitrile-terminated poly(phthalazinone ether nitrile)

Chinese Chemical Letters (2016)

Zhihuan Weng Qi Yu Lishuai Zong Cheng Liu Jinyan Wang

Phthalonitrile

Thermosetting polymer

Thermal Stability

10.1016/j.cclet.2016.12.019

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Citations (12)