FUEL
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2023
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IF 7.4
Wenbin Huang,Qiang Wei,Haoran Liu,Han Yang,Zhen Xu,Zhengyu Chen,Dongdong Chen,Yasong Zhou
The reason for high-difficulty nitrogen removal of aromatic N-heterocyclic compounds in petroleum fractions was investigated from the main thought of “NiWS property - Reaction behavior - DFT calculation”. The properties of the used catalyst were characterized by a series of techniques with the aim of providing the basis for model construction in the DFT calculations. The kinetic experiments in fixed-bed reactor revealed that although 1,2,3,4-tetrahydroquinoline (THQ1) and decahydroquinoline (DHQ), o-ethylaniline (OEA) exhibited relatively high yields in the HDN reaction of quinoline and indole respectively, they were all able to show high conversions and HDN rates when reacted as feedstocks alone. The study of product normalizations in the reaction system of the mixed feedstocks demonstrated that the difficulty of conversion of THQ1 and DHQ in quinoline HDN was mainly due to the inhibition effect of quinoline feedstock. While in the HDN of indole, the presence of the intermediate product OEA was the main factor for the low conversion of indole. This phenomenon of inhibition originating from within the molecular reaction network was proposed as N-N self-inhibition effect for the first time. The DFT calculations suggested that the inhibition of quinoline on THQ1 could be attributed to the adsorption advantage of quinoline, while the inhibition on DHQ was mainly due to the steric hindrance effect of DHQ itself. And the inhibition effect of OEA on indole can be mainly attributed to its greater nucleophilicity and stronger adsorption ability on the active sites compared with IND.
研究领域:
化学工程
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催化
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石油炼制
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理论化学
✓ 已验证
产品关联
DOI
高影响因子
ELECTROCHIMICA ACTA
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2020
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IF 6.215
Jiahao Dong,Weihao Pan,Jing Luo,Ren Liu
In this work, a novel type of two-shell structured inhibitor-loaded polyaniline (PANI) microcapsule was fabricated for efficient corrosion protection of carbon steel. In our strategy, modified SiO 2 nanoparticles were used to stabilize an oil phase containing aniline, photo-crosslinkable monomer and crosslinker. Upon UV irradiation, the monomer and crosslinker underwent polymerization and converted into the first shell of microcapsules, which endows sufficient stability and robustness to the microcapsules. The subsequent polymerization of aniline at the oil/water interface contributed to the second layer of the microcapsules shell, which functioned as anticorrosion filler and pH-sensitive gatekeeper of the microcapsules to realize the responsive release of the incorporated inhibitor simultaneously. Corrosion inhibitor (2-mercaptobenzothiazole, MBT) was encapsulated into the prepared polyaniline microcapsules and pH-responsive release of MBT from the microcapsule was demonstrated. The anti-corrosion performance of the epoxy embedded with MBT loaded polyaniline microcapsules was achieved by the combination of the passivation of the steel surface by PANI and the on-demand release of MBT during the corrosion process, thus affording dual corrosion protection for the mild steel. The results showed that MBT loaded polyaniline microcapsules exhibited significantly enhanced corrosion protection of carbon steel than unloaded polyaniline microcapsules as well as MBT, demonstrating a synergistic inhibition effect of MBT and PANI.
研究领域:
材料科学
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腐蚀工程
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高分子化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL SCIENCES
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2021
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IF 3.534
Zifei Qin,Peile Wang,Shuyi Duan,Xiaoying Wan,Han Xing,Jing Yang,Xiaojian Zhang,Zhihong Yao,Xinsheng Yao
Isobavachalcone, a naturally occurring chalcone in Psoralea corylifolia , posses many biological properties including anticancer, antiplatelet, and antifungal. However, its glucuronidation, glucuronides excretion, and drug-drug interaction (DDI) involving in human cytochrome P450 (CYP), UDP-glucuronosyltransferase (UGT) enzymes, and efflux transporters (BCRP and MRPs) remains unclear so far. After incubation, three glucuronides were produced by HLM and HIM with total intrinsic clearance ( CL int ) of 236.71 and 323.40 μL/min/mg, respectively. Reaction phenotyping proved UGT1A1, 1A3, 1A7, 1A8, and 1A9 played important roles in glucuronidation with total CL int values of 62.69–143.00 μL/min/mg. Activity correlation analysis indicated UGT1A1 and UGT1A3 participated more in the glucuronidation. In addition, the glucuronidation showed marked species differences, and rabbits and dogs were probably appropriate model animals to investigate the in vivo glucuronidation. Furthermore, BCRP , MRP1, and MRP4 transporters were identified as the most important contributors to glucuronides excretion in HeLa1A1 cells based on gene silencing method. Moreover, isobavachalcone demonstrated broad-spectrum inhibitory effects against CYP2B6 , CYP2C9 , CYP2C19 , CYP2D6 , CYP2E1 , UGT1A1, UGT1A9, UGT2B7 with IC 50 values of 1.08–9.78 μM. Except CYP2B6 and CYP2D6, the calculated [I]/ K i values for other enzymes were all greater than 0.1, indicating the inhibition of systemic metabolism or elimination for these enzyme substrates seems likely. Taken together, we summarized metabolic fates of isobavachalcone including glucuronidation and efflux transport as well as inhibitory effects involving in human CYP and UGT enzymes.
研究领域:
药理学
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生物化学
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药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）