CHEMICAL ENGINEERING SCIENCE
·
2026
·
IF 5.1
Ranran Shi,Jian Liu,Jijun Ge,Hongtao Gao,Guoxuan Li,Rongshan Bi,Pan Xu
The HDI trimerization catalyzed by potassium acetate and benzyltrimethylammonium hydroxide was investigated experimentally. The composition and distribution of the products were analyzed by means of characterization. A Matlab R2002b-based kinetic model simulated monomer/trimer selectivity and product distribution over time, aligning well with experimental data. DFT calculations (M062X/def2-TZVP) explored reaction mechanisms, paths, and thermodynamics. Energy barriers for key steps were 68.2 kJ/mol (benzyl trimethyl ammonium hydroxide) and 75.3 kJ/mol (potassium acetate). Corresponding rate constants ( k ), calculated via KiSThelP using transition state theory, were 3.44 × 10 −10 and 5.17 × 10 −16 , respectively. Furthermore, electrostatic potential (ESP), independent gradient model (IGM), and electron localization function (ELF) analyses systematically revealed the catalytic mechanism of benzyltrimethylammonium hydroxide across electrostatic, bonding, and electronic structural levels. These combined experimental and theoretical approaches clarify the kinetics and mechanistic advantages of the quaternary ammonium catalyst in HDI trimer formation.
✓ 已验证
DOI
高影响因子
Surfaces and Interfaces
·
2025
·
IF 6.3
Yinchuan Pu,Duoduo Huang,Su Wang,Wei Xu
Developing robust and durable superhydrophilic surfaces on polyethylene terephthalate (PET) films is critical for advancing their applications in self-cleaning and biomedical technologies. In this study, a coating solution containing polyethyleneimine and HDI polyisocyanate was bar-coated onto PET film surfaces and subsequently cross-linked to form a dense R-NH-CO-NH-R' covalent network. After modification, the PET film surfaces demonstrated superhydrophilicity (WCA=0°) accompanied by a significant increase in surface energy to 79.4 mN/m, while achieving excellent 5B-grade adhesion. Furthermore, when exposed to 40-hour immersion in aqueous solutions, the modified surfaces maintained their superhydrophilicity (0° WCA) with essentially unchanged surface energies. The coatings showed near-complete surface coverage along with substantial covalent bonds retention. Such crosslinking construction approach via bar-coating exhibits promising potential for PET films in superhydrophilic applications.
研究领域:
生物医学工程
·
材料科学
·
表面工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2021
·
IF 4.464
Qian Zhang,Yuhao Wen,Kang Liu,Nailiang Liu,Yaping Du,Chunjie Ma,Liang Zhou,Yongri Liang,Yongcheng Jin
The development of solid polymer electrolyte (SPE) is important for the fabrication of safe and high performance lithium ion battery of the next generation. A series of polyurethanes (PUs) based SPEs synthesized from hexamethylene diisocyanate (HDI) and poly(ethylene glycol)s (PEGs) of varying molecular weight ( MW = 300 ~ 1500 corresponding to PU03 ~ PU15) via one-step approach are investigated for the conductivity of lithium ion and other electrochemical properties. These synthetic PUs exhibit semi-crystalline structures when the MW of PEG is higher than 300, and turn into amorphous after the addition of LiClO 4 . The ionic conductivity decreases with the increasing concentration of LiClO 4 . The highest lithium ion conductivity was found to be 3.42 × 10 −5 S/cm for PU15 with 10 wt% LiClO 4 at 50 °C. However, its lithium ion transference number is low by 0.15. All of the PU-based SPEs containing 10 wt% LiClO 4 are electrochemically stable up to 4.2 ~ 4.5 V versus Li + /Li, and show very good cycling stability in charge/discharge experiments. In the assembled battery with LiFePO 4 as the cathode, PU15 displays higher performances than PU03, indicating good correlation to the molecular weight of PEG.
研究领域:
材料科学
·
电化学
·
电池技术
✓ 已验证
DOI
高影响因子
POLYMER
·
2019
·
IF 3.771
Ziyun Shen,Liuchun Zheng,Chuncheng Li,Guoming Liu,Yaonan Xiao,Shaohua Wu,Jiajian Liu,Bo Zhang
DMC-derived poly (ether urethanes) were prepared via isocyanate-free route. The transurethanization reaction of the non-isocyanate route needs higher temperature as compared with the traditional route. There may be some unknown side reactions under high temperature which lead to changes in chemical structure and subsequent thermal and mechanical properties of the novel DMC-derived non-isocyanate polyurethanes (NIPUs). Two 1,6-hexamethylene diisocyanate based polyurethanes (HDIPUs) were prepared as a control. HDIPUs possessed a higher melting point and better mechanical properties than NIPUs. In order to find out the causes of the difference in their thermal and mechanical properties, the structure, crystallization behavior , morphology and microphase separation behavior of NIPUs and HDIPUs were systematically studied and compared in this work. It was found that the structural distinction between NIPUs and HDIPUs was originated from the hard segments. The urea content in the hard segments of NIPUs was much higher than that of HDIPUs. The formation of urea groups was explained by the side reactions during the transurethanization process of NIPUs. Due to the random insertion of urea groups on the hard segments of NIPU, the strength of hydrogen bonding between hard segments and the crystallinity of the hard phase were lower than those of HDIPU. Therefore, the compatibility between the hard phase and the soft phase of NIPU was increased, resulting in poor thermal and mechanical properties.
研究领域:
材料科学
·
聚合物化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
·
2023
·Vol. 70
·期 9
·1773-1783
·
IF 1.8
Lanhe Zhang,Sen Wang,Junqi Wang,Hong Jiang,Qiang Liu,Xin Cheng,Xiaohui Xu
Objective A novel fluorescent composite anti-corrosion coating was prepared, which could simultaneously indicate corrosion sites and corrosion degree according to change of fluorescence intensity. Methods Tri-HDI/GO/SR/AP coating was prepared by blending method. Its structure, physical properties, anti-corrosion ability and fluorescence intensity were analyzed. Results Tri-HDI/GO/SR/AP coating was not significantly damaged during the corrosion simulation experiment. The fluorescence intensity of the coating decreased with the increase of corrosion degree. Conclusions Based on structure characterization and electrochemical analysis, it is found that Tri-HDI/GO/SR/AP coating has positive anti-corrosion performance. Fluorescence molecules undergo a quenching reaction when corrosion occurs, the corrosion location and corrosion degree can be determined according to the changes of luminescence intensity.
研究领域:
材料科学
·
腐蚀工程
·
涂层技术
✓ 已验证
产品关联
DOI
高影响因子
Pharmacological Reports
·
2017
·
IF 2.587
Ting Wu,Haixin Li,Jiasheng Chen,Ying Cao,Weimin Fu,Pingzheng Zhou,Jianxin Pang
Background Apigenin is a flavonoid compound, widely distributed in natural plants. Various studies have suggested that apigenin has inhibitory effects towards several drug transporters, such as the organic anion transporting (OAT) polypeptides , 1B1 and 1B3 (OATP1B1 and OATP1B3). However, the mechanism by which apigenin interacts with OAT1 has not been well studied. Methods MDCK cells stably-expressing OAT1 were used to examine the inhibitory effects of apigenin on OAT1. UPLC–MS/MS was used to evaluate the in vitro and in vivo effects of apigenin on the uptake of acyclovir by OAT1. Cytotoxicity was determined by the cell viability , MTT assays . Results Apigenin effectively inhibited the activity of OAT1 in a dose-dependent manner with an IC50 value of 0.737 μM. Pre-incubation of cells with apigenin caused a time-dependent inhibition (TDI) of OAT1. Additionally, we examined the interactions between apigenin and acyclovir or adefovir . Data showed that apigenin (1 μM) significantly blocked the uptake of acyclovir by OAT1 in vitro with an inhibition rate of 55%. In vivo , apigenin could increase the concentration of acyclovir in plasma when co-administered with acyclovir. Importantly, the MTT assays showed that, at a dose of 50 μM, apigenin significantly reduced the cytotoxicity of adefovir and substantially increased cell viability from 50.6% to 112.62%. Conclusion Our results demonstrate that apigenin regulates OAT1, and can cause TDI or herb-drug interaction (HDI) when used in combination with acyclovir or adefovir. Therefore, apigenin could be used as a nephroprotective agent when used in combination with the substrates of OAT1.
研究领域:
药理学
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CARBOHYDRATE POLYMERS
·
2013
·
IF 3.479
Zhu Xiong,Lisheng Zhang,Songqi Ma,Yong Yang,Chuanzhi Zhang,Zhaobin Tang,Jin Zhu
Blends of entirely bio-sourced polymers, namely polylactide (PLA) and starch, have been melt-compounded by lab-scale co-extruder with castor oil (CO) as a plasticizer. The enrichment of castor oil on starch had great effect on the properties of the blends. If the castor oil was mainly dispersed in PLA matrix, the properties of the blends were poor, but when the hexamethylenediisocyanate (HDI) was grafted on starch granules the ready reactions between the hydroxyl on CO and the isocyante on the HDI-grafted starch (HGSTs) brought CO molecules enriched on starch particles. DSC analysis shows that the CO layer on starch has a positive effect on the crystallization of PLA in the ternary blend. The accumulation of CO on starch greatly improves the toughness and impact strength of PLA/starch blends. The grafting content of HDI on the starch granules primarily determined the compatibility and properties of the resulted blends.
研究领域:
材料科学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Environmental Chemical Engineering
·
2026
·Vol. 14
·期 5
·124400
·
IF 7.5
Ya-Tong Liu,Xi-Yue Luo,Bu-Xiao Wu,Yi-Wen Cui,Jun-Wen Wang,Ying-Kai Yuan,Yue-Li Zou,Li-Xia Zhao
Glyphosate, a widely used organophosphorus herbicide, poses significant threats to ecological security and food safety due to its residue accumulation. A near-infrared (NIR) fluorescent probe, HDI, was designed and synthesized for the detection of glyphosate (Glyp) based on a Zn 2 + -mediated competitive coordination mechanism. HDI formed a non-fluorescent complex with Zn 2+ , which was selectively disassembled by Glyp through phosphonate-carboxylate chelation, resulting in a restored "off–on" NIR emission at 620 nm. The coordination mode and displacement mechanism were corroborated by Job's plot, HRMS, 1 H NMR, FT-IR, and DFT calculations. The HDI-Zn 2+ system exhibited a low limit of detection (10.1 nM), a broad tolerant pH range (5−8), and high selectivity against 29 common ions and biomolecules. Satisfactory spike-recovery rates (95.3%-107%, RSD < 4.90%) were obtained in environmental water, soil, and food extracts. Furthermore, Glyp was visualized in living HeLa cells, zebrafish embryos, and mice with low cytotoxicity, and fluorescence signals were predominantly localized in the liver. This work establishes a reliable chemosensing platform for trace glyphosate surveillance in food safety and environmental monitoring.
✓ 已验证
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2012
·
IF 2.237
Liangyan Wang,Xiabin Jing,Haibo Cheng,Xiuli Hu,Lixin Yang,Yubin Huang
The long-chain branched polylactides (LCB-PLAs) prepared by coupling the hydroxyl-terminated two-arm (linear) and triarm PLA prepolymers of identical arm length with hexamethylenediacianate (HDI) were used to improve the melt rheological and crystallization properties of linear polylactide resin, PLA 4032D from NatureWorks. The blends containing LCB-PLA displayed higher zero shear viscosities, more significant shear shinning, more melt elasticity, and much longer relaxation times together with significant strain hardening in elongational deformation. Tg, Tm and crystallinity (Xc) of linear PLA remained virtually unaffected, but the crystallization rate increased obviously, since the branch points of LCB-PLAs could play a role of nucleating agent. High melt strength, fast crystallization, and favorable miscibility improved the foaming ability of the linear/LCB-PLA blends, substantially.
研究领域:
高分子科学
·
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
CONSTRUCTION AND BUILDING MATERIALS
·
2024
·
IF 7.4
Shiyun Zhou,Tian Xia,Shuo Wu,Wanting Zhang,Jianhui Xu,Yi Yang,Youbing Li,Guangxian Li
Self-healing bitumen can significantly enhance the durability and service life of bituminous pavement, thereby reducing the need for frequent maintenance and repairs. In this study, isophorone diisocyanate (IPDI), hexamethylene diisocyanate (HDI), and isophorone diamine (IPDA) were utilized to design asymmetric dynamic hard segments, imparting self-healing properties to polyurethane even at room temperature. Particular emphasis was placed on hydrogen bonding, as its reversible formation serves as a primary mechanism for the self-healing characteristics of the material. During the synthesis of polyurethane (PU), two different composition ratios were employed to produce two types of PU with distinct chemical structures, molecular weights, and dynamic crosslink densities, which were characterized using NMR, FTIR, GPC, and DMA, respectively. Furthermore, these two PU types exhibited varying mechanical properties and glass transition temperatures, leading to differences in the rheological properties of the corresponding PU-modified bitumen. Dynamic frequency sweep test results indicated that bitumen modified with PU exhibiting higher molecular weight and narrower molecular weight distribution had superior rutting resistance and enhanced room-temperature self-healing capabilities. The underlying reasons for this improvement can be attributed to the hydrogen bonding present in the PU as well as the phase separation structure between the PU and bitumen.
研究领域:
材料科学
·
高分子化学
·
土木工程
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）