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成果及论文

Highlights

(1) Chengzhi Liu†, Nan Lv†, Lijuan Dong, Min Huang (黄敏)*, Qing Shen, Gerui Ren, Ruibo Wu, Binju Wang, Zexing Cao, Hujun Xie (谢湖均*. Interaction mechanism between zein and β-lactoglobulin: Insights from multi-spectroscopy and molecular dynamics simulation methods. Food Hydrocolloids. 2023, 135, 108226. (if = 11, ESI高被引论文，前1%)

(2) Gerui Ren, Ying He, Junfei Lv, Ying Zhu, Zhengfang Xue, Yujing Zhan, Yufan Sun, Xin Luo, Ting Li, Yuling Song, Fuge Niu, Min Huang, Sheng Fang, Linglin Fu, Hujun Xie (谢湖均)*. Highly biologically active and pH-sensitive collagen hydrolysate-chitosan film loaded with red cabbage extracts realizing dynamic visualization and preservation of shrimp freshness. International Journal of Biological Macromolecules. 2023, 233, 123414. (if = 9, ESI高被引论文，前1%)

(3) Gerui Ren, Jieyu Shi, Sijie Huang, Chengzhi Liu, Fangfang Ni, Ying He, Xin Luo, Ting Li, Yuling Song, Min Huang, Hujun Xie (谢湖均)*. The fabrication of novel zein and resveratrol covalent conjugates: Enhanced thermal stability, emulsifying and antioxidant properties. Food Chemistry. 2022, 374, 131612. (if = 9, ESI高被引论文，前1%)

(4) Chengzhi Liu,† Nan Lv,† Gerui Ren, Ruibo Wu, Binju Wang, Zexing Cao, Hujun Xie (谢湖均)*. Explore the interaction mechanism between zein and EGCG using multi-spectroscopy and molecular dynamics simulation methods. Food Hydrocolloids. 2021, 120, 106906. (if = 11, ESI高被引论文，前1%)

(5) Jian Gao†, Yuezhong Mao†, Chuyue Xiang, Mengna Cao, Gerui Ren, Hujun Xie (谢湖均)*, Kuiwu Wang, Xiangjuan Ma, Di Wu. Preparation of β-lactoglobulin/gum arabic complex nanoparticles for encapsulation and controlled release of EGCG in simulated gastrointestinal digestion model. Food Chemistry. 2021, 354, 129516. (if = 9, ESI高被引论文，前1%)

(6) Chuyue Xiang, Jian Gao, Haoxin Ye, Gerui Ren, Xiangjuan Ma, Hujun Xie (谢湖均)*, Sheng Fang (房升)*, Qunfang Lei, Wenjun Fang. Development of ovalbumin-pectin nanocomplexes for vitamin D3 encapsulation: Enhanced storage stability and sustained release in simulated gastrointestinal digestion. Food Hydrocolloids. 2020, 106, 105926. (if = 11, ESI高被引论文，前1%)

(7) Hujun Xie (谢湖均)*, Chuyue Xiang, Yang Li, Lihong Wang, Zhijun Song, Xiangjuan Ma, Xiaoxing Lu, Qunfang Lei, Wenjun Fang (方文军)*. Fabrication of ovalbumin/κ-carrageenan complex nanoparticles as a novel carrier for curcumin delivery. Food Hydrocolloids. 2019, 89, 111−121. (if = 11, ESI高被引论文，前1%)

(8) Hujun Xie (谢湖均), Xin Luo, Ying Gao, Min Huang, Gerui Ren, Rongmi Zhou, Yulu Sun, Haoxin Ye, Qunfang Lei, Wenjun Fang, Yong-Quan Xu (许勇泉)*. Co-encapsulation of Lactobacillus plantarum and EGCG: A promising strategy to increase the stability and lipid-lowering activity. Food Hydrocolloids. 2024, 151, 109768.

(9) Qingbo Jiao†, Haoxin Ye†, Nan Lv†, Min Huang, Ruibo Wu, Tianxi Yang, Zexing Cao, Qunfang Lei, Wenjun Fang, Hujun Xie (谢湖均)*. How the strength of proteins interactions affects the phase behavior of protein complexes. Food Hydrocolloids. 2024, 149, 109654.

(10) Zhenwei Chu, Guomei He, Chuan Shi, Yuhui Hua, Yaxi Huang, Jiangxi Chen*, Hujun Xie (谢湖均)*, Guochen Jia*. Aromatic chloroosmacyclopentatrienes. National Science Review. 2023, 10, nwac237. (if=23)

(11) Yifan Zhao, Jialei Hu, Ruyi Chen, Fengping Xiong, Hujun Xie (谢湖均)*, Hanfeng Ding (丁寒锋)*. Divergent total syntheses of (-)-crinipellins facilitated by a HAT-initiated dowd-beckwith rearrangement. Journal of the American Chemical Society. 2022, 144, 2495−2500 . (if = 16)

(12) Chengzhi Liu†, Nan Lv,†, Yongquan Xu*, Huafei Tong, Yulu Sun, Min Huang, Gerui Ren, Ruibo Wu, Binju Wang, Zexing Cao, Hujun Xie (谢湖均)*. pH-Dependent interaction mechanisms between β-lactoglobulin and EGCG: Insights from multi-spectroscopy and molecular dynamics simulation methods. Food Hydrocolloids. 2022, 133, 108022.

(13) Min Huang (黄敏), Yuling Song, Nan Lv, Chengzhi Liu, Gerui Ren, Qing Shen, Binju Wang, Zexing Cao, Hujun Xie (谢湖均)*. Theoretical and experimental perspectives of interaction mechanism between zein and lysozyme. Food Hydrocolloids. 2022, 132, 107876.

(14) Chaorong Wang, Zhencheng Lai, Hujun Xie (谢湖均)*, Sunliang Cui (崔孙良)*. Triazenyl alkynes as versatile building block in multicomponent reaction: Diastereoselective synthesis of β-amino amides. Angewandte Chemie International Edition. 2021, 60, 5147–5151. (if = 17)

2024

[105] Hujun Xie, Xin Luo, Ying Gao, Min Huang, Gerui Ren, Rongmi Zhou, Yulu Sun, Haoxin Ye, Qunfang Lei, Wenjun Fang, Yong-Quan Xu*. Co-encapsulation of Lactobacillus plantarum and EGCG: A promising strategy to increase the stability and lipid-lowering activity. Food Hydrocolloids. 2024, 151, 109768.

[104] Qingbo Jiao†, Haoxin Ye†, Nan Lv†, Min Huang, Ruibo Wu, Tianxi Yang, Zexing Cao, Qunfang Lei, Wenjun Fang, Hujun Xie*. How the strength of proteins interactions affects the phase behavior of protein complexes. Food Hydrocolloids. 2024, 149, 109654.

2023

[103] Chengzhi Liu†, Nan Lv†, Yuling Song, Lijuan Dong, Min Huang*, Qing Shen, Gerui Ren, Ruibo Wu, Binju Wang, Zexing Cao, Hujun Xie*. Interaction mechanism between zein and β-lactoglobulin: Insights from multi-spectroscopy and molecular dynamics simulation methods. Food Hydrocolloids. 2023, 135, 108226.

[102] Gerui Ren, Ying He, Junfei Lv, Ying Zhu, Zhengfang Xue, Yujing Zhan, Yufan Sun, Xin Luo, Ting Li, Yuling Song, Fuge Niu, Min Huang, Sheng Fang, Linglin Fu, Hujun Xie*. Highly biologically active and pH-sensitive collagen hydrolysate-chitosan film loaded with red cabbage extracts realizing dynamic visualization and preservation of shrimp freshness. International Journal of Biological Macromolecules. 2023, 233, 123414.

[101] Gerui Ren, Jiacheng Liu, Jieyu Shi, Ying He, Ying Zhu, Yujing Zhan, Junfei Lv, Lei Liu, Ying Huang, Min Huang, Wenjun Fang, Qunfang Lei, Hujun Xie*. Improved antioxidant activity and delivery of peppermint oil Pickering emulsion stabilized by resveratrol-grafted zein covalent conjugate/quaternary ammonium chitosan nanoparticles. International Journal of Biological Macromolecules. 2023, 253, 127094.

[100] Zhenwei Chu, Guomei He, Chuan Shi, Yuhui Hua, Yaxi Huang, Jiangxi Chen*, Hujun Xie*, Guochen Jia*. Aromatic chloroosmacyclopentatrienes. National Science Review. 2023, 10, nwac237. (if=23)

[99] Fangfang Ni, Xin Luo, Zhu Zhao, Jingwang Yuan, Yuling Song, Chengzhi Liu, Min Huang, Lijuan Dong, Hujun Xie*, Lei Cai, Gerui Ren, Qing Gu*. Enhancing viability of Lactobacillus plantarum encapsulated by alginate-gelatin hydrogel beads during gastrointestinal digestion, storage and in the mimic beverage systems. International Journal of Biological Macromolecules. 2023, 224, 94-104.

[98] Lijuan Dong, Qingbo Jiao, Jian Gao, Xin Luo, Yuling Song, Ting Li, Chen Huan, Min Huang, Gerui Ren, Qing Shen, Linglin Fu, Hujun Xie*, Zisheng Luo*. Effects of Zein-Lecithin-EGCG nanoparticle coatings on postharvest quality and shelf life of loquat (Eriobotrya japonica). LWT - Food Science and Technology. 2023, 182, 114918.

[97] Yuxin Li, Rong Zhang, Yuling Song, Hujun Xie*, Ruibo Wu*. DFT study of the endo-selectivity mechanism of the Diels-Alder reaction in lindenane dimeric sesquiterpene synthesis promoted by pyridines. Physical Chemistry Chemical Physics. 2023, 25, 3772-3779.

2022

[96] Chengzhi Liu†, Nan Lv,†, Yongquan Xu*, Huafei Tong, Yulu Sun, Min Huang, Gerui Ren, Ruibo Wu, Binju Wang, Zexing Cao, Hujun Xie*. pH-Dependent interaction mechanisms between β-lactoglobulin and EGCG: Insights from multi-spectroscopy and molecular dynamics simulation methods. Food Hydrocolloids. 2022, 133, 108022.

[95] Min Huang, Yuling Song, Nan Lv, Chengzhi Liu, Gerui Ren, Qing Shen, Binju Wang, Zexing Cao, Hujun Xie*. Theoretical and experimental perspectives of interaction mechanism between zein and lysozyme. Food Hydrocolloids. 2022, 132, 107876.

[94] Gerui Ren, Jieyu Shi, Sijie Huang, Chengzhi Liu, Fangfang Ni, Ying He, Xin Luo, Ting Li, Yuling Song, Min Huang, Hujun Xie*. The fabrication of novel zein and resveratrol covalent conjugates: Enhanced thermal stability, emulsifying and antioxidant properties. Food Chemistry. 2022, 374, 131612.

[93] Hujun Xie*, Fangfang Ni, Jian Gao, Chengzhi Liu, Jieyu Shi, Gerui Ren, Shiyi Tian*, Qunfang Lei, Wenjun Fang*. Preparation of Zein-Lecithin-EGCG complex nanoparticles stabilized peppermint oil emulsions: Physicochemical properties, stability and intelligent sensory analysis. Food Chemistry. 2022, 383, 132453.

[92] Yifan Zhao, Jialei Hu, Ruyi Chen, Fengping Xiong, Hujun Xie*, Hanfeng Ding*. Divergent total syntheses of (-)-crinipellins facilitated by a HAT-initiated dowd-beckwith rearrangement. Journal of the American Chemical Society. 2022, 144, 2495−2500.

[91] Xin Luo, Siqi Fan, Zhuosui He, Fangfang Ni, Chengzhi Liu, Min Huang, Lei Cai, Gerui Ren, Xuan Zhu, Qunfang Lei, Wenjun Fang, Hujun Xie*. Preparation of alginate-whey protein isolate and alginate-pectin-whey protein isolate composites for protection and delivery of Lactobacillus plantarum. Food Research International. 2022, 161, 111794.

[90] Jianchang Jin, Chengzhi Liu, Huafei Tong, Yulu Sun, Min Huang, Gerui Ren, Hujun Xie*. Encapsulation of EGCG by Zein-Gum arabic complex nano-particles and in vitro simulated digestion of complex nanoparticles. Foods. 2022, 11, 2131.

[89] Gerui Ren , Ying Zhu, Jieyu Shi, Jiacheng Liu, Ying He, Yufan Sun, Yujing Zhan, Junfei Lv, Min Huang, Hujun Xie*. Fabrication of Antioxidant Pickering Emulsion Based on Resveratrol-Grafted Zein Conjugates: Enhancing the Physical and Oxidative Stability. Foods. 2022, 11, 3851.

[88] Jingyuan Zhuang, Fan Zhang, Xiaowen Tang, Chengzhi Liu, Min Huang, Hujun Xie*, Ruibo Wu*. Insights into the enzymatic catalytic mechanism of bCinS: the importance of protein conformational change. Catalysis Science & Technology. 2022, 12, 1651–1662.

[87] Gerui Ren, Ying Zhu, Jieyu Shi, Jiacheng Liu, Ying He, Yufan Sun, Yujing Zhan, Junfei Lv, Min Huang, Hujun Xie*. Fabrication of Antioxidant Pickering Emulsion Based on Resveratrol-Grafted Zein Conjugates: Enhancing the Physical and Oxidative Stability. Food. 2022, 11, 3851.

2021

[86] Chengzhi Liu,^† Nan Lv,^† Gerui Ren, Ruibo Wu, Binju Wang, Zexing Cao, Hujun Xie*. Explore the interaction mechanism between zein and EGCG using multi-spectroscopy and molecular dynamics simulation methods. Food Hydrocolloids. 2021, 120, 106906.

[85] Jian Gao^†, Yuezhong Mao^†, Chuyue Xiang, Mengna Cao, Gerui Ren, Hujun Xie*, Kuiwu Wang, Xiangjuan Ma, Di Wu. Preparation of β-lactoglobulin/gum arabic complex nanoparticles for encapsulation and controlled release of EGCG in simulated gastrointestinal digestion model. Food Chemistry. 2021, 354, 129516. (if = 9, ESI高被引论文，前1%)

[84] Hujun Xie *, Chengzhi Liu, Jian Gao, Jieyu Shi, Fangfang Ni, Xin Luo, Ying He, Gerui Ren, Zisheng Luo*. Fabrication of Zein-Lecithin-EGCG complex nanoparticles: Characterization, controlled release in simulated gastrointestinal digestion. Food Chemistry . 2021 , 365 , 130542.

[83] Chengzhi Liu, Haoxin Ye, Jian Kuang, Gerui Ren, Qing Shen, Hujun Xie* , Qunfang Lei, Wenjun Fang*. Investigation of interfacial composition and thermodynamic stability of 14-n-14/alcohol/oil/water microemulsions by dilution method. Journal of Molecular Liquids . 2021 , 336 , 116333.

[82] Hujun Xie*, Yutong Zhang, Mengna Cao, Chengzhi Liu, Yuezhong Mao, Gerui Ren, Zunyi Wu, Sheng Fang, Shiyi Tian*, Di Wu*. Fabrication of PGFE/CN-stabilized β-carotene-loaded peppermint oil nanoemulsions: Storage stability, rheological behavior and intelligent sensory analyses. LWT-Food Science and Technology . 2021 , 138 , 110688.

[81] Jian Gao, Chengzhi Liu, Jieyu Shi, Fangfang Ni, Qing Shen, Hujun Xie* , Kuiwu Wang, Qunfang Lei, Wenjun Fang, Gerui Ren*. The regulation of sodium alginate on the stability of ovalbumin-pectin complexes for VD3 encapsulation and in vitro simulated gastrointestinal digestion study. Food Research International . 2021 , 140 , 110011.

[80] Mengna Cao, Chengzhi Liu, Jieyu Shi, Fangfang Ni, Jiaming Qi, Qing Shen, Min Huang, Gerui Ren*, Shiyi Tian, Quanquan Lin, Xiaoxin Lu, Qunfang Lei, Wenjun Fang, Hujun Xie* . Fabrication and characterization of oil-in-water pickering emulsions stabilized by ZEIN-HTCC nanoparticles as a composite layer. Food Research International . 2021 , 148 , 110606.

[79] Hujun Xie, Fangfang Ni, Chengzhi Liu, Jieyu Shi, Gerui Ren, ZunyiWu, Zhijun Song*. Characterization and stability of peppermint oil emulsions using polyglycerol esters of fatty acids and milk proteins as emulsifiers. Journal of Food Science . 2021 , 1–11.

[78] Mengna Cao, Hujun Xie*, Recent advances in theoretical studies on ligand-controlled selectivity of nickel- and palladium-catalyzed cross-coupling reactions. Chinese Chemical Letters . 2021 , 32 , 319-327.

[77] Chaorong Wang, Zhencheng Lai, Hujun Xie*, Sunliang Cui*. Triazenyl alkynes as versatile building block in multicomponent reaction: Diastereoselective synthesis of β-amino amides. Angewandte Chemie International Edition . 2021 , 60 , 5147–5151.

[76] Xiaoxing Lu*, Zhizhuo Lu, Rong Zhang, Lijiang Zhao, Hujun Xie*. Distribution of pigments in the aqueous two-phase system formed with piperazinium-based ionic liquid and anionic surfactant. Journal of Molecular Liquids. 2021, 330, 115677.

[75] Ji Mi, Shuaishuai Bai, Lu Zhao, Guijin He, Yongsheng Guo, Hujun Xie* , Wenjun Fang*. A polyester-based initiation strategy for achieving high-efficient cracking of hydrocarbon fuels. Chemical Engineering Journal . 2021 , 425 , 128059.

[74] Zhizhuo Lu, Lihong Wang, Hujun Xie* , Qunfang Lei, Wenjun Fang, Xiaoxing Lu*. Structural transitions of ovalbumin/κ-carrageenan complexes under the effects of pH and composition. Chemical Physics . 2021 , 533 , 110733.

2020

[73] Chuyue Xiang, Jian Gao, Haoxin Ye, Gerui Ren, Xiangjuan Ma, Hujun Xie*, Sheng Fang*, Qunfang Lei, Wenjun Fang. Development of ovalbumin-pectin nanocomplexes for vitamin D3 encapsulation: Enhanced storage stability and sustained release in simulated gastrointestinal digestion. Food Hydrocolloids. 2020, 106, 105926. (if = 11)

[72] Jian Kuang, Jian Gao, Shaoxia Xie, Qunfang Lei, Wenjun Fang, Hujun Xie* , Xiaoxing Lu* . Phase behaviors and curcumin encapsulation performance of Gemini surfactant microemulsion. Journal of Molecular Liquids . 2020 , 315 , 113786.

[71] Denghui Ma, Hujun Xie*, Zexing Cao*. Catalytic coupling of CH₄ with CO₂ and CO by a modified human carbonic anhydrase combined with oriented external electric fields: Mechanistic insights from DFT calculations. Organometallics. 2020, 39, 4657-4666.

[70] Linwei Zeng, Renjie Chen, Chen Zhang, Hujun Xie*, Sunliang Cui*. Iridium(I)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids. Chemical Communications . 2020, 56 , 3093−3096.

[69] Zhizhuo Lu, Lihong Wang, Hujun Xie*, Qunfang Lei, Wenjun Fang, Xiaoxing Lu*, Structural transitions of ovalbumin/κ-carrageenan complexes under the effects of pH and composition. Chemical Physics . 2020 , 533 , 110733.

[68] Jian Liu, Menghang Ling, Hujun Xie*. Mechanisms of chemoselectivity for acyl and decarbonylative Suzuki-Miyaura coupling of N-acetyl amide with arylboronic acid catalyzed by Pd and Ni catalysts: Insights from DFT calculations. Computational and Theoretical Chemistry. 2020, 1185, 112889.

2019

[67] Hujun Xie*, Chuyue Xiang, Yang Li, Lihong Wang, Yutong Zhang, Zhijun Song, Xiangjuan Ma, Xiaoxing Lu, Qunfang Lei, Wenjun Fang*. Fabrication of ovalbumin/κ-carrageenan complex nanoparticles as a novel carrier for curcumin delivery. Food Hydrocolloids. 2019, 89, 111−121. (if = 7, ESI高被引论文，前1%)

[66] Hujun Xie*, Chuyue Xiang, Yutong Zhang, Tingting Sun, Ting Fan*, Qunfang Lei, Wenjun Fang. DFT studies on mechanistic origins of ligand-controlled selectivity in Pd-catalyzed non-decarbonylative and decarbonylative reductive conversion of acyl dluoride. Dalton Transactions . 2019 , 48 , 3440−3446.

[65] Xiaoxing Lu*, Hujun Xie(谢湖均)*, Qunfang Lei, Wenjun Fang*. A combined experimental and theoretical study on structures, interactions and volumetric properties of guanidinium–based ionic liquid mixtures. Physical Chemistry Chemical Physics. 2019, 21, 17720−17728.

[64] Jinquan Zhang^†, Hujun Xie(共一)^†, Huajian Zhu, Shuaizhong Zhang, Reddy Lonka, Hongbin Zou*. Chameleon-like behavior of the directing group in the Rh(III)-catalyzed regioselective C−H amidation of indole: An experimental and computational study. ACS Catalysis. 2019, 9, 10233−10244.

[63] Binbin Yu, Menghang Ling, Hujun Xie*. A DFT study on the mechanism and origins of the ligand-controlled regioselectivity of a palladium-catalyzed dearomatic reaction of 1-(chloromethyl)naphthalene with phenylacetonitrile. New Journal of Chemistry . 2019 , 43 , 19120−19025.

[62] Yunrui Cai ^† , Nana Shao ^† , Hujun Xie( 共一 ) ^† , Yushi Futamura, Santosh Panjikar, Haicheng Liu, Huajian Zhu, Hiroyuki Osada, Hongbin Zou*. Stereocomplementary chemoenzymatic Pictet−Spengler reaction for formation of rare azepino-indole frameworks: Discovery of antimalarial compounds. ACS Catalysis . 2019 , 9 , 7443−7448.

[61] 章雨桐, 曹梦娜, 戈光琼, 项楚越, 宋志军, 马香娟, 房升, 雷群芳, 方文军, 谢湖均 * . 钯催化2-溴-1,3,5-三甲基苯和异丙基硼酸Suzuki-Miyaura偶联反应中配体对产物选择性调控的理论研究. 中国科学 : 化学 . 2019 , 49 , 380−390.

[60] Fang Ying, Yutong Zhang, Chuyue Xiang, Zhijun Song, Hujun Xie*, Weiliang Bao. Key mechanistic features in palladium-catalyzed methylcyclopropanation of norbornenes with vinyl bromides: Insights from DFT calculations. Frontiers in Chemistry. 2019, 7, 169.

[59] Xin Luo, Jian Gao, Mengna Cao, Chuyue Xiang, Yutong Zhang, Tingting Sun, Hujun Xie*, Qunfang Lei, Wenjun Fang*. Tuning the conformations of hemoglobin via interactions with single-chain and gemini quaternary qmmonium surfactants. Chemical Physics Letters. 2019 , 728 , 115–123.

[58] Binbin Yu, Menghang Ling, Hujun Xie *. A DFT study on the mechanism and origins of the ligand-controlled regioselectivity of a palladium-catalyzed dearomatic reaction of 1-(chloromethyl)naphthalene with phenylacetonitrile. New Journal of Chemistry . 2019 , 43 , 19120-19125.

[57] Jianhong Gao, Dongyu Sun, Kuan Yu, Hujun Xie *, Hanfeng Ding*. Total Synthesis of (+)-Jatrophalactam. Organic Letters . 2019 , 21 , 9603-9607.

2018

[56] Haorui Gu, Zhao Han, Hujun Xie*, Xufeng Lin*. Iron-catalyzed enantioselective Si−H bond insertions. Organic Letters. 2018, 20, 6544−6549.

[55] Hujun Xie*, Yutong Zhang, Chuyue Xiang, Yang Li, Ting Fan, Qunfang Lei, Wenjun Fang. Non-innocent PNN ligand is important for CO oxidation by N ₂ O catalyzed by a (PNN)Ru–H pincer complex: Insights from DFT calculations. Dalton Transactions . 2018 , 47 , 15324–15330.

[54] Zunyi Wu, Chuyue Xiang, Yutong Zhang, Zhijun Song, Qunfang Lei, Wenjun Fang, Hujun Xie* . The reactivity of coordinatively unsaturated iridium methylene complex Ir = CH ₂ [N(SiMe ₂ CH ₂ PPh ₂ )(2)]: A quantum chemistry study. Computational and Theoretical Chemistry . 2018 , 1138 , 91-98.

[53] Lanying Yao, Yang Li, Lvtao Huang, Kai Guo, Gerui Ren, Zunyi Wu, Qunfang Lei, Wenjun Fang, Hujun Xie* . A DFT study on the mechanisms of hydrogenation and hydrosilylation of nitrous oxide catalyzed by a ruthenium PNP pincer complex. Computational and Theoretical Chemistry . 2018 , 1128 , 48-55.

[52] Zunyi Wu, Chuyue Xiang, Yutong Zhang, Zhijun Song, Qunfang Lei, Wenjun Fang, Hujun Xie *. The reactivity of coordinatively unsaturated iridium methylene complex Ir = CH ₂ [N(SiMe ₂ CH ₂ PPh ₂ )(2)]: A quantum chemistry study. Computational and Theoretical Chemistry. 2018 , 1138 , 91-98.

[51] Haorui Gu, Zhao Han, Hujun Xie*, Xufeng Lin*. Iron-catalyzed enantioselective Si-H bond insertions. Organic Letters. 2018, 20, 6544-6549.

2017

[50] Hujun Xie*, Yang Li, Lihong Wang, Jian Kuang, Qunfang Lei, Wenjun Fang. Why different ligands can control stereochemistry selectivity of Ni-catalyzed Suzuki-Miyaura cross-coupling of benzylic carbamates with arylboronic esters: A mechanistic study. Dalton Transactions. 2017. 46, 13010–13019.

[49] Hujun Xie*, Jian Kuang, Lihong Wang, Yang Li, Lvtao Huang, Ting Fan*, Qunfang Lei, Wenjun Fang. A DFT study on palladium and nickel-catalyzed regioselective and stereoselective hydrosilylation of 1,3-disubstituted allenes. Organometallics . 2017, 36 , 3371−3381.

[48] Chi He, Zengbing Bai, Jialei Hu, Bingnan Wang, Hujun Xie*, Lei Yu*, Hanfeng Ding*. A divergent [5+2] cascade approach to bicyclo[3.2.1]octanes: Facile synthesis of ent-kaurene and cedrene-type skeletons. Chemical Communications . 2017 , 53 , 8435–8438.

[47] Jinchuan Mao, Linlu Peng, Weiqiong Li, Fang Chen, Huigang Wang, Yong Shao, Xiaoshun Zhou*, Xueqin Zhao*, Hujun Xie *, Zhenjiang Niu. Influence of molecular structure on contact interaction between thiophene anchoring group and Au electrode. Journal of Physical Chemistry C . 2017, 121 , 1472–1476.

[46] Jian Kuang, Yang Li, Lihong Wang, Zunyi Wu,* Qunfang Lei, Wenjun Fang, Hujun Xie*. A substrate-dependent mechanism for the reactions of a hydrido(hydrosilylene)ruthenium complex with carbonyl compounds: Insights from quantum chemical calculations. New Journal of Chemistry. 2017, 41, 198–203.

[45] Hujun Xie*, Lihong Wang, Yang Li, Jian Kuang, Zunyi Wu, Ting Fan*, Qunfang Lei, Wenjun Fang. N-Insertion reaction mechanisms of phenyl azides with a hafnium hydride complex: A quantum chemistry calculation. New Journal of Chemistry . 2017 , 41 , 5007–5011.

2016

[44] Xiang Ren, Qihang Guo, Jianhui Chen, Hujun Xie*, Qing Xu*, Zhan Lu*. Visible-light promoted distereodivergent intramolecular oxyamidation of alkenes. Chemistry—A European Journal. 2016, 22, 18695–18699.

[43] Hujun Xie*, Yang Li, Lvtao Huang, Fangli Nong, Gerui Ren, Ting Fan*, Qunfang Lei, Wenjun Fang. Dehydrogenation of benzyl alcohol with N₂O as the hydrogen acceptor catalyzed by the rhodium(I) carbene complex: Insights from quantum chemistry calculations. Dalton Transactions. 2016, 45, 16485–16491.

[42] Hujun Xie*, Chengcheng Liu, Ying Yuan, Tao Zhou, Ting Fan, Qunfang Lei, Wenjun Fang. Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: Insights from quantum chemistry Calculations. Dalton Transactions. 2016, 45, 1152–1159.

[41] Hujun Xie*, Ting Fan*, Qunfang Lei, Wenjun Fang. New progress in theoretical studies on palladium-catalyzed C−C bond-forming reaction mechanisms. Science China Chemistry. 2016. 59, 1432–1447.

[40] 谢湖均*, 刘程程, 孙强, 顾青, 雷群芳, 方文军. 季铵盐型阳离子表面活性剂与牛血清白蛋白的相互作用. 物理化学学报. 2016, 32(12), 2951-2960.

[39] Hujun Xie*, Lijiang Zhao, Chengcheng Liu, Yifan Cao, Xiaoxing Lu, Qunfang Lei, Wenjun Fang*. Volumetric property of glycine, L-serine, L-alanine and L-proline in aqueous solutions of 1-phenylpiperazinium tetrafluoroborate. Journal of Chemical Thermodynamics. 2016, 99, 75-81.

[38] Zhijun Song, Chengcheng Liu, Xuelin Chen, Wenhui Yan, Yifan Cao, Hujun Xie*, Qunfang Lei, Wenjun Fang. The mechanisms for triple gold(I)-catalyzed (4+1) cycloaddition of methylenecyclopropane with 7-naphthyl-1,3,5-cycloheptatriene: Insight into from density functional calculations. Computational and Theoretical Chemistry. 2016, 1084, 25-35.

2015

[37] Hujun Xie*, Chengcheng Liu, Xuelin Chen, Qunfang Lei, Wenjun Fang, Tao Zhou*. Theoretically exploring the key role of the lys412 residue in the conversion of N₂O to N₂ by nitrous oxide reductase from Achromobacter Cycloclastes. New Journal of Chemistry. 2015, 39, 8093−8099.

[36] Xiaoxing Lu, Jing Yu, Jianzhou Wu, Yongsheng Guo*, Hujun Xie*, Wenjun Fang*. Novel guanidinium-based ionic liquids for highly efficient SO₂ capture. Journal of Physical Chemistry B. 2015, 119, 8054−8062.

[35] Xiaoxing Lu, Qi Cao, Jing Yu, Qunfang Lei*, Hujun Xie* , Wenjun Fang*. Formation of novel aqueous two-phase systems with piperazinium-based ionic liquids and anionic surfactants: Phase behavior and microstructure. Journal of Physical Chemistry B . 2015 , 119 , 11798−11806.

[34] Chengcheng Liu, Qinglan Liu, Zunyi Wu, Yacui Chen, Hujun Xie* , Qunfang Lei, Wenjun Fang. Mechanistic insights into small molecule activation induced by ligand cooperativity in PC _carbene P nickel pincer complexes: A quantum chemistry study. Journal of Molecular Modeling . 2015 , 21 , 242−253.

[33] Gerui Ren, Lijiang Zhao, Qiang Sun, Hujun Xie*, Qunfang Lei, Wenjun Fang. Explore the reaction mechanism of the Maillard reaction: a density functional theory study. Journal of Molecular Modeling . 2015 , 21 , 132.

[32] Li Zhou, Yang Li, Furong Lin, Diying Tian, Qunfang Lei, Wenjun Fang, Hujun Xie *. Reaction mechanism for the alkoxylation of a silyl ligand in the silyl(silylene)ruthenium complex: A density functional theory study. 有机化学 . 2015 , 35 , 698-704.

2014

[31] Hujun Xie*, Qiang Sun, Gerui Ren, Zexing Cao*. Mechanisms and reactivity differences for cycloaddition of anhydride to alkyne catalyzed by palladium and nickel catalysts: Insight from density functional calculations. Journal of Organic Chemistry. 2014, 79, 11911−11921.

[30] Hujun Xie* , Lijiang Zhao, Liu Yang, Qunfang Lei, Wenjun Fang, Chunhua Xiong*. Mechanisms and origins of switchable regioselectivity of palladium- and nickel-catalyzed allene hydrosilylation with N-heterocyclic carbene ligands: A theoretical study. Journal of Organic Chemistry . 2014 , 79 , 4517-4527.

[29] Hujun Xie* , Liu Yang, Xinchen Ye, Zexing Cao. Mechanism of carbon monoxide-induced N−N bond cleavage of nitrous oxide mediated by molybdenum complexes: A DFT study. Organometallics . 2014 , 33 , 1553-1562.

[28] Hujun Xie , Zhenyang Lin*. Understanding the reactivity difference of isocyanate and isothiocyanate toward a ruthenium silylene hydride complex. Organometallics . 2014 , 33 , 892-897.

[27] Xiaoxing Lu, Qi Cao, Xi Wu, Hujun Xie *, Qunfang Lei*, Wenjun Fang*. Conformational isomerism influence on the properties of piperazinium bis(trifluoromethylsulfonyl)imide. Journal of Physical Chemistry B . 2014 , 118, 9085-9095.

[26] Xinchen Ye, Liu Yang, Yang Li, Jianying Huang, Li Zhou, Qunfang Lei, Wenjun Fang, Hujun Xie* . Reaction mechanisms of a tungsten–germylyne complex with one or two molecules of alcohols and arylaldehydes: A DFT study. European Journal of Inorganic Chemistry . 2014 , 1502-1511.

[25] Xinchen Ye, Liu Yang, Zunyi Wu, Gerui Ren, Tingting Sun, Qunfang Lei, Wenjun Fang, Hujun Xie* . Exploring the reaction mechanism of a cationic terminal iridium methylene complex with ethyl diazoacetate, Lewis base and dihydrogen: A quantum chemistry study. New Journal of Chemistry . 2014 , 38 , 4115-4119.

[24] Liu Yang, Gerui Ren, Xinchen Ye, Xianyong Que, Qunfang Lei, Wenjun Fang, Hujun Xie* . Ad-catalyzed bicyclization of 2-alkynylhalobenzenes and propargylic alcohols for the formation of indeno[1,2]furans: A DFT study. Journal of Physical Organic Chemistry. 2014 , 27, 237-244.

[23] Xiaomei Qin, Hujun Xie( 谢湖均 )* , Lei Yue, Xiaoxing Lu, Wenjun Fang. A Quantum Chemistry Study on Thermochemical Properties of High Energy-Density Endothermic Hydrocarbon Fuel JP-10. J. Mol. Model . 2014 , 20 , 2183-2190.

2013

[22] Hujun Xie*, Furong Lin, Qunfang Lei, Wenjun Fang. Mechanism and substrate-dependent rate-determining step in palladium-catalyzed intramolecular decarboxylative coupling of arenecarboxylic acids with aryl bromides: A DFT study. Organometallics. 2013, 32, 6957-6968.

[21] Hujun Xie, Hong Zhang, Zhenyang Lin*. DFT studies on the palladium-catalyzed dearomatization reaction between chloromethylnaphthalene and the cyclic amine morpholine. Organometallics. 2013, 32, 2336-2343.

[20] Hujun Xie , Hong Zhang, Zhenyang Lin*. DFT studies on the mechanisms of palladium-catalyzed intramolecular arylation of a silyl C(sp ³ )–H bond. New Journal of Chemistry . 2013 , 37 , 2856-2861.

[19] Hujun Xie* , Furong Lin, Liu Yang, Xuesheng Chen, Xinchen Ye, Xin Tian, Qunfang Lei*, Wenjun Fang. A DFT study on palladium-catalyzed decarboxylative intramolecular aziridination reaction mechanism . Journal of Organometallic Chemistry . 2013 , 745-746 , 417-422.

[18] Hujun Xie* , Furong Lin, Qunfang Lei, Wenjun Fang. Theoretical studies on the reductive elimination reaction mechanism from neutral palladium(IV) sulfinate complexes. Journal of Physical Organic Chemistry . 2013 , 26, 933-938.

[17] Lei Yue, Hujun Xie* , Xiaomei Qin, Xiaoxing Lu, Wenjun Fang*. A DFT study on the thermal cracking of JP-10. Journal of Molecular Modeling . 2013 , 19 , 5355-5365.

[16] 谢湖均* 牟望舒, 林芙蓉, 徐结慧, 雷群芳, 方文军. 杨梅酮的抗氧化活性. 物理化学学报. 2013, 29(7), 1421-1432.

2012

[15] Hujun Xie*, Meng Ren,Qunfang Lei, Wenjun Fang, Fang Ying. Explore the catalytic reaction mechanism in the reduction of NO by CO on the Rh₇⁺ cluster: A quantum chemical study. Journal of Physical Chemistry C. 2012, 116, 7776-7781.

[14] Hujun Xie* , Qunfang Lei, Wenjun Fang. Oxygenolysis reaction mechanism of copper-dependent quercetin 2,3-dioxygenase: A density functional theory study. Science China Chemistry. 2012 , 55 , 1832-1841.

[13] Hujun Xie* , Qunfang Lei, Wenjun Fang. Intermolecular interactions between gold clusters and selected amino acids cysteine and glycine: A DFT study. Journal of Molecular Modeling. 2012 , 18 , 645-652.

[12] Hujun Xie*, Tingting Sun, Qunfang Lei, Wenjun Fang. Understanding hydrogenation of the adenine-thymine base pairs and their anions: A density functional study. International Journal of Quantum Chemistry. 2012, 112, 609-618.

2011

[11] Hujun Xie*, Qunfang Lei, Wenjun Fang. Nitric oxide adsorption and reduction reaction mechanism on the Rh₇⁺ cluster: A density functional theory study. Journal of Physical Chemistry A. 2011, 115, 14203-14208.

[10] Hujun Xie , Qunfang Lei*, Xiaohuan Hu, Guida Xuan, Wenjun Fang. Theoretical calculations on 1-substituted-2-aminobenzimidazole derivatives and studies on quantitative structure-activity relationship (QSAR). Acta Chimica Sinica ( 物理化学学报 ) . 2011 , 69 , 399-404.

[9] Xiuxiu Bao, Zuqin Chen, Hujun Xie* . Density functional study on the mechanism of amadori rearrangement reaction. Chinese Journal of Structural Chemistry . 2011 , 30 , 827-832.

[8] 谢湖均，胡晓环，邵爽，雷群芳，宣贵达. 1-取代-2-羟氨苯并咪唑衍生物的密度泛函理论计算. Journal of Zhejiang University. Sciences Edition浙江大学学报理学版. 2011, 38, 58-62.

2010

[7] Hujun Xie, Zexing Cao*. Enzymatic reduction of nitrate to nitrite: Insight from density functional calculations. Organometallics. 2010, 29, 436-441.

[6] Hujun Xie*, Qunfang Lei, Wenjun Fang. Density functional theory study on the antioxidation activity of quercetin. Acta Chimica Sinica(物理化学学报). 2010, 68, 1467-1472.

2009

[5] Hujun Xie , Zexing Cao*. Computational characterization of reactive intermediates of carbon monoxide dehydrogenase. Chinese Journal of Structural Chemistry. 2009, 28, 1525-1532.

2008

[4] Hujun Xie, Ruibo Wu, Zhouhui Zhou, Zexing Cao*. Exploring the interstitial atom in the FeMo cofactor of nitrogenase: Insights from QM and QM/MM calculations. Journal of Physical Chemistry B. 2008, 112, 11435-11439.

[3] Hujun Xie , Ruibo Wu, Fei Xia, Zexing Cao*. Effects of electron attachment on C5-O5 and C1-N1 bond cleavages of pyrimidine nucleotides: A theoretical study. Journal of Computational Chemistry. 2008 , 29 , 2025-2032.

2007

[2] Hujun Xie, Fei Xia, Zexing Cao*. Density functional study toward understanding dehydrogenation of the adenine-thymine base pair and its anion. Journal of Physical Chemistry A. 2007, 111, 4384-4390.

[1] Hujun Xie, Zexing Cao*. Electron attachment to the DNA bases adenine and guanine and dehydrogenation of their anionic derivatives: Density functional study. International Journal of Quantum Chemistry. 2007, 107, 1261-1269.