Predicting performance-related properties of refrigerant based on tailored small-molecule functional group contribution

Authors: Cao, Peilin, Geng, Ying, Feng, Nan, Zhang, Xiang, Qi, Zhiwen, Song, Zhen, Gani, Rafiqul

Subject Terms: Physics - Chemical Physics, Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2503.17919

Urushiol-dextran SPIONs magnetic recyclable nanoparticles immobilizing vancomycin (V@DU@Fe) for antibacterial application

Authors: Xue, Xingying ^{a, b, c}, Qi, Zhiwen ^{a, c, d, ⁎}, Wang, Zhihong ^e, Tao, Ran ^{a, c}, Zhou, Hao ^{a, c}, Chen, Hongxia ^{a, c}, Lei, Jiandu ^b, Wang, Chengzhang ^{a, c}

Source: In International Journal of Biological Macromolecules April 2025 304 Part 2

Sodium cholate-coated Olea europaea polyphenol nanoliposomes: Preparation, stability, release, and bioactivity

Authors: Li, Wenjun ^a, Antoniadi, Lemonia ^{b, c}, Zhou, Hao ^a, Chen, Hongxia ^a, Angelis, Apostolis ^b, Halabalaki, Maria ^b, Skaltsounis, Leandros A. ^b, Qi, Zhiwen ^{a, ⁎}, Wang, Chengzhang ^{a, ⁎}

Source: In Food Chemistry 30 March 2025 469

A large extension of the modified UNIFAC model for IL–solute systems by combining hybrid activity coefficient databases

Authors: Gu, Ruofan, Chen, Jiahui, Cheng, Jie, Chen, Guzhong, Zhou, Teng, Qi, Zhiwen, Zhu, Yi-An, Song, Zhen

Source: In Separation and Purification Technology 1 March 2025 355 Part A

Hydroxyl-functionalization promoted activity and recovery of ionic liquids in direct dimethyl carbonate synthesis from CO2

Authors: Ruan, Jiawei, Chen, Lifang, Wu, Xinzi, Qian, Shaokang, Xie, Kunchi, Zhang, Xiaoyi, Cheng, Hongye, Song, Zhen, Qi, Zhiwen

Source: In Applied Catalysis B: Environment and Energy February 2025 361

Multilevel screening and mechanism analysis of ionic liquids for separating pyridine from coal pyrolysis model oil

Authors: Liu, Qian ^a, Meng, Wei ^b, Qiu, Yuxin ^a, Chen, Lifang ^a, Song, Zhen ^{a, ⁎}, Qi, Zhiwen ^{a, ⁎}

Source: In Separation and Purification Technology 30 July 2025 362 Part 2

Rational design and experimental evaluation of novel amino acid-based natural deep eutectic solvents for CO2 capture

Authors: Cheng, Jie ^a, Qiu, Yuxin ^a, Chen, Jiahui ^a, Gu, Yuqi ^a, Wang, Jingwen ^b, Chen, Guzhong ^{c, ⁎}, Qi, Zhiwen ^a, Song, Zhen ^{a, ⁎}

Source: In Separation and Purification Technology 19 July 2025 361 Part 3

Multi-criteria computational screening of [BMIM][DCA]@MOF composites for CO2 capture

Authors: Sheng, Mengjia, Zhang, Xiang ^⁎, Cheng, Hongye, Song, Zhen, Qi, Zhiwen ^⁎

Source: In Green Chemical Engineering June 2025 6(2):200-208

Rational screening-validation and mechanism analysis of ionic liquids for peeling cathode materials off aluminum foil from end-of-life lithium-ion batteries

Authors: Liu, Qian ^a, Xie, Kunchi ^a, Cheng, Jie ^a, Ruan, Jiawei ^a, Yuan, Haitao ^b, Song, Zhen ^{a, c, ⁎⁎}, Qi, Zhiwen ^{a, ⁎}

Source: In Chemical Engineering Journal 1 May 2025 511

Effects of steam explosion pretreatment on the physicochemical properties, phenolic profile and its antioxidant activities of Baphicacanthus cusia (Nees) Bremek. leaves

Authors: Xue, Xingying, Qi, Zhiwen, Zhang, Changwei, Kong, Xianghui, Lei, Jiandu, Zhou, Hao, Wang, Chengzhang

Source: In LWT 15 December 2024 214

Graph transformer based transfer learning for aqueous pKa prediction of organic small molecules

Authors: Qiu, Yuxin, Chen, Jiahui, Xie, Kunchi, Gu, Ruofan, Qi, Zhiwen, Song, Zhen

Source: In Chemical Engineering Science 5 December 2024 300

Enhancing fractionation of terpenoids and terpenes in citrus essential oils by a biphasic extraction system

Authors: Han, Min, Zhao, Lexuan, Cheng, Hongye, Qi, Zhiwen

Source: In Chemical Engineering Science 5 November 2024 299

A critical methodological revisit on group-contribution based property prediction of ionic liquids with machine learning

Authors: Cao, Peilin, Chen, Jiahui, Chen, Guzhong, Qi, Zhiwen, Song, Zhen

Source: In Chemical Engineering Science 5 October 2024 298

Systematic screening ionic liquid as extractant for benzene-cyclohexane separation

Authors: Qi, Chuxin, Zhang, Zhixiang, Chen, Lifang, Qi, Zhiwen

Source: In Separation and Purification Technology 1 October 2024 345

Structure effects of imidazolium ionic liquids on integrated CO2 absorption and transformation to dimethyl carbonate

Authors: Ye, Xiangzhu ¹, Ruan, Jiawei ¹, Chen, Lifang ^⁎, Qi, Zhiwen ^⁎

Source: In Journal of Environmental Chemical Engineering June 2024 12(3)

Rational screening of ionic liquids as phase transfer catalysts for aromatic O- and S-glycosidations examplified by acetobromo-alpha-D-galactose with phenolic compound

Authors: Qi, Chuxin, Chen, Lifang, Qi, Zhiwen

Source: In Journal of Molecular Liquids 1 June 2024 403

Synthesis of novel ursolic acid-gallate hybrids via 1,2,3-triazole linkage and its anti-oxidant and anti-inflammatory activity study

Authors: Qi, Zhiwen, Xie, Pujun, Wang, Zhihong, Zhou, Hao, Tao, Ran, Popov, Sergey A., Yang, Guliang, Shults, Elvira E., Wang, Chengzhang

Source: In Arabian Journal of Chemistry May 2024 17(5)

A systematic COSMO-RS study on mutual solubility of ionic liquids and C6-hydrocarbons

Authors: Qi, Chuxin, Song, Zhen, Cheng, Hongye, Chen, Lifang, Qi, Zhiwen

Source: In Green Chemical Engineering March 2024 5(1):97-107

Multilevel screening of ionic liquid absorbents for the capture of low-content styrene VOC

Authors: Kong, Xiangyi, Cheng, Jie, Meng, Wei, Han, Shujing, Song, Zhen, Qi, Zhiwen

Source: In Chemical Engineering Research and Design March 2024 203:742-749

Bioactive chitosan-citral Schiff base zinc complex: A pH-responsive platform for potential therapeutic applications

Authors: Tao, Ran, Wang, Yinjuan, Zhang, Ning, Zhang, Liangliang, Khan, Mohd Shahnawaz, Xu, Hao, Zhao, Jian, Qi, Zhiwen, Chen, Yicun, Lu, Yin, Wang, Kui, Wang, Yangdong, Jiang, Jianchun

Source: In International Journal of Biological Macromolecules March 2024 261 Part 2