Publications by authors named "Xiumei Pan"

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Theoretical Study on the Atmospheric and Combustion Chemistry of 4-Methylcyclohexanol Initiated by OH Radicals: Mechanism, Kinetics, and Environmental Risks.
Wan-Ying Yu, Chang-Yun Zhou, Shuang Ni, Yi-Chen Wang, Feng-Yang Bai, Xiu-Mei Pan

J Phys Chem A· November 2025

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Enhancing intestinal epithelial microtubule stability could alleviate IBD symptoms.
Fangying Yang, Zhengxiao He, Xiumei Pan, Shuping Xie, Xinhua Liang

Cell Commun Signal· June 2025

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The atmospheric fate of ethyl and neopentyl nitrates: ·OH-oxidation mechanism, kinetic property, and environmental impacts.
Xiang-Huan Liu, Tai-Xing Chi, Wan-Ying Yu, Shuang Ni, Zhi-Min Ao, Xiu-Mei Pan

Environ Int· April 2025

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Transformation mechanism, kinetics and ecotoxicity of kaempferol and quercetin in the gaseous and aqueous phases: A theoretical combined experimental study.
Ting-Ting Meng, Meng-Jiao Ding, Wan-Ying Yu, Xiao-Ming Song, Shuang Ni, Xiu-Mei Pan

Sci Total Environ· January 2025

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Theoretical study on the mechanisms, kinetics and risk assessment of OH radicals and Cl atom initiated transformation of HCFC-235fa in the atmosphere.
Tai-Xing Chi, Xin-Xin Li, Shuang Ni, Feng-Yang Bai, Xiu-Mei Pan

Phys Chem Chem Phys· October 2024

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Theoretical insights into the gaseous and heterogeneous reactions of halogenated phenols with ˙OH radicals: mechanism, kinetics and role of (TiO) clusters in degradation processes.
Feng-Yang Bai, Yu-Zhuo Yang, Xiang-Huan Liu, Shuang Ni, Xiu-Mei Pan

Phys Chem Chem Phys· November 2022

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Interaction of Glutamic Acid/Protonated Glutamic Acid with Amide and Water Molecules: A Theoretical Study.
Jia Liu, Shuang Ni, Xiumei Pan

J Phys Chem A· October 2022

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Metal-free catalysis for the reaction of nitrogen dioxide dimer with phenol: An unexpected favorable source of nitrate and aerosol precursors in vehicle exhaust.
Feng-Yang Bai, Zi-Yu Liu, Shuang Ni, Yong-Sheng Yang, Zhou Yu, Xiu-Mei Pan

Chemosphere· March 2022

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Aliovalent-Ion-Induced Lattice Regulation Based on Charge Balance Theory: Advanced Fluorophosphate Cathode for Sodium-Ion Full Batteries.
Zhen-Yi Gu, Jin-Zhi Guo, Zhong-Hui Sun, Xin-Xin Zhao, Xiao-Tong Wang, Xiu-Mei Pan

Small· August 2021

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Synergistic effect of glutaric acid and ammonia/amine/amide on their hydrates in the clustering: A theoretical study.
Shuang Ni, Fengyang Bai, Xiumei Pan

Chemosphere· July 2021

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Atmospheric oxidation of fluoroalcohols initiated by ˙OH radicals in the presence of water and mineral dusts: mechanism, kinetics, and risk assessment.
Feng-Yang Bai, Ming-Shuai Deng, Mei-Yan Chen, Lian Kong, Shuang Ni, Xiu-Mei Pan

Phys Chem Chem Phys· June 2021

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Atmospheric chemistry of thiourea: nucleation with urea and roles in NO hydrolysis.
Shuang Ni, Feng-Yang Bai, Xiu-Mei Pan

Phys Chem Chem Phys· April 2020

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DFT analysis on the removal of dimethylbenzoquinones in atmosphere and water environments: ·OH-initiated oxidation and captured by (TiO) clusters (n=1-6).
Feng-Yang Bai, Shuang Ni, Yu Ren, Yi-Zhen Tang, Zhen Zhao, Xiu-Mei Pan

J Hazard Mater· March 2020

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Ciprofloxacin transformation in aqueous environments: Mechanism, kinetics, and toxicity assessment during OH-mediated oxidation.
Feng-Yang Bai, Shuang Ni, Yi-Zhen Tang, Xiu-Mei Pan, Zhen Zhao

Sci Total Environ· January 2020

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Theoretical study of H-atom abstraction reactions from CHCHOCHCH, CHFCFOCHCF and CFCHOCH by NO radical & subsequent degradation.
Ming-Yi Li, Feng-Yang Bai, Xiu-Mei Pan

J Mol Graph Model· December 2019

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Theoretical investigation of the mechanism, kinetics and subsequent degradation products of the NO radical initiated oxidation of 4-hydroxy-3-hexanone.
Ning Zhang, Fengyang Bai, Xiumei Pan

Environ Sci Process Impacts· December 2019

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Theoretical study on the mechanisms of the decomposition of nitrate esters and the stabilization of aromatic amines.
Yang Sun, Shuang Ni, Xiu-Mei Pan

J Mol Model· November 2019

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New insights into 3M3M1B: the role of water in ˙OH-initiated degradation and aerosol formation in the presence of NO (X = 1, 2) and an alkali.
Feng-Yang Bai, Shuang Ni, Yi-Zhen Tang, Xiu-Mei Pan, Zhen Zhao

Phys Chem Chem Phys· August 2019

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Unveiling the Photophysical Properties of Boron Heptaaryldipyrromethene Derivatives.
Chunyu Liu, Xue Zhang, Xiumei Pan, Guochun Yang

Chemphyschem· October 2018

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Understanding the insight into the mechanisms and dynamics of the Cl-initiated oxidation of (CH)CC(O)X and the subsequent reactions in the presence of NO and O (X = F, Cl, and Br).
Feng-Yang Bai, Shuang Lv, Yuan Ma, Chun-Yu Liu, Chun-Fang He, Xiu-Mei Pan

Chemosphere· March 2017

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Computational exploration of regioselectivity and atmospheric lifetime in NO-initiated reactions of CHOCH and CHOCHCH.
Jin-Ting Ye, Feng-Yang Bai, Shao-Qing Shi, Xiu-Mei Pan

J Mol Graph Model· March 2017

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Theoretical Study of the Gaseous Hydrolysis of NO in the Presence of Amines.
Chun-Fang He, Xu Wang, Yan-Qiu Sun, Xiu-Mei Pan, Fu-Ming Tao

J Phys Chem A· January 2017

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Theoretical insight into OH- and Cl-initiated oxidation of CFOCH(CF) and CFOCFCFH &fate of CFOC(X•)(CF) and CFOCFCFX• radicals (X=O, O).
Feng-Yang Bai, Yuan Ma, Shuang Lv, Xiu-Mei Pan, Xiu-Juan Jia

Sci Rep· January 2017

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Computational study of H-abstraction reactions from CHOCHCHCl/CHCHOCHCHCl by Cl atom and OH radical and fate of alkoxy radicals.
Jin-Ting Ye, Feng-Yang Bai, Xiu-Mei Pan

Environ Sci Pollut Res Int· December 2016

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Understanding the photophysical properties of chiral dinuclear Re(i) complexes and the role of Re(i) in their complexes.
Chunyu Liu, Yanling Si, Shaoqing Shi, Guochun Yang, Xiumei Pan

Dalton Trans· May 2016

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