JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
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IF 3.119
Guangyu Xu,Fanyuan Zhang,Zhenghui Li
In this study, the solubility of 5-chloropyrazin-2-amine in four aqueous solutions (methanol, ethanol, n-propanol, and ethylene glycol (EG)) plus water was determined by a gravimetric method at temperatures ranging from T = 278.15 to 323.15 K at 101.2 kPa pressure. Experimental results indicated that 5-chloropyrazin-2-amine solubility positively increased with increasing temperature at a given solvent composition and decreased with increasing mass fraction of water in each system. The order of solubility from high to low on the mole fraction scale was as follows: methanol (0.02007, 323.15 K) > ethanol (0.01308, 323.15 K) > n-propanol (3.827 × 10–3, 323.15 K) > water (1.569 × 10–3, 323.15 K). Similarly, the solubility of 5-chloropyrazin-2-amine was higher in (methanol + water) than in the other three cosolvent mixtures. The solid phase crystal of 5-chloropyrazin-2-amine was tested by X-ray powder diffraction (XPRD) and the results showed no polymorphic transformation, solvate formation, or crystal transition during entire experiments. The experimental solubility values of 5-chloropyrazin-2-amine were correlated by three thermodynamic models. The results show that the largest relative average deviation (RAD) and root mean square deviation (RMSD) data were no more than 5.38% and 2.34 × 10–4, respectively. The Jouyban–Acree model gave the best correlation result in this study.
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ACS Applied Materials & Interfaces
·
2023
·
IF 9.5
Wenlei Gu,An Pei,Shiyi Zhang,Feifei Jiang,Yanyan Jia,Qizhen Qin,Ruian Du,Zhengjian Li,Renfeng Liu,Yongcai Qiu,Keyou Yan,Yun Zhao,Cheng Liang,Guangxu Chen
The development of single-atom catalysts with effective interfaces for biomass conversion is a promising but challenging research area. In this study, a Ru1/CoOx catalyst was successfully fabricated with the impregnation method, which featured Ru single atoms on a cobalt oxide substrate. The Ru1/CoOx catalyst showed superior performance in the selective electrooxidation of 5-hydroxymethylfurfural (HMF) to produce 2,5-furandicarboxylic acid (FDCA), a high value-added product. The introduction of Ru single atoms with an ultralow loading of ∼0.5 wt % was revealed to accelerate the electroredox of Co2+/Co3+/Co4+ and improve the intrinsic activity of the CoOx substrate with an FDCA selectivity of 76.5%, which is better than that of the pristine CoOx electrocatalysts (62.7%). The interfacial synergistic effect of the Ru1/CoOx interface clarified that Ru single atoms can enhance the adsorption of HMF at the Ru1/CoOx interface, which promoted the rate-determining step of the selective C–H bond activation for FDCA production. This finding provides valuable insights into the rational design of single-atom catalysts with functional interfaces for biomass upgrading.
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PubMed
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Molecular Catalysis
·
2023
·
IF 4.6
Quan Zhang,Wei Huang,Wenhao Cui,Xingzong Dong,Guangye Liu,Yunpeng Xu,Zhongmin Liu
The acidity and porosity of zeolite catalysts are crucial parameters affecting the catalytic performance. In this work, alkali treatment and metal species loading were used to modify the porosity and acidity of ZSM-5 zeolite to prepare an efficient catalyst for the 1,2-dichloroethane cracking reaction. After optimization, the highly active catalyst Zn (1%) /ZSM-5-120 was obtained, and 78% conversion of EDC and 99% selectivity toward VCM could be achieved under the conditions of 300 °C and 3.0 h −1 (WHSV). A detailed investigation was conducted on the effects of acidity, texture properties and metal species loaded on ZSM-5 zeolite on the 1,2-dichloroethane cracking reaction.
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CHEMICAL ENGINEERING JOURNAL
·
2021
·
IF 13.273
Yuechao Yang,Danxia Xu,Baolong Zhang,Zhimin Xue,Tiancheng Mu
Electrochemical oxidation of alcohol and aldehyde to carboxylic acids is one of the most important classes of catalytic reaction. The key point for such reactions lies in the fine tailoring the catalysts to improve the reaction and energy efficiency. For such a destination, identifying descriptors which are highly related to the catalytic efficiency is a prerequisite for designing electrocatalysts. In this work, taking 5-hydroxymethylfurfural (HMF), a biomass derived platform molecule containing alcohol and aldehyde, as the main research object, we revealed for the first time that the adsorption energy of substrate molecule is an activity descriptor for electrochemical alcohol and aldehyde oxidation. Too weak substrate adsorption is not favorable to C–H/O–H bond activation and dissociation, while too strong substrate adsorption hinders the formation of enough OH ads (an important intermediate) due to the competitive adsorption of substrate molecules and OH – at limited reaction sites. The optimal catalytic activity can be achieved by adjusting the adsorption energy of substrate molecules to make them properly adsorbed on the catalyst surface. This work not only offers a guideline for the design of advanced catalysts towards the electrochemical alcohol and aldehyde oxidation (e.g., methanol, ethanol, benzyl alcohol, glycerol, glucose, furfural and HMF) for the utilization and production of renewable resources, but also benefits the design of other electrochemical catalysts.
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Molecular Catalysis
·
2021
·
IF 5.062
Qian Wang,Jie Zhang,Wenlong Jia,Xin Yu,Jiahong Chen,Yong Sun,Zuojun Wei,Shuliang Yang,Xing Tang,Xianhai Zeng,Lu Lin
Generally, 5-hydroxymethylfurfural (HMF) is used as feedstock to produce 2,5-furandicarboxylic acid (FDCA). Whereas, its poor stability in alkaline environment results in low yield of FDCA. By contrast, 5-[(formyloxy)methyl]furfural (FMF), a novel platform compound derived from HMF, with higher thermal and alkaline stability than HMF, is more promising to replace HMF as substrate for the production of FDCA. In this study, FMF was successfully converted into FDCA over MoCuO x by using NaClO as oxidant, undergoing 2,5-diformylfuran (DFF) and 5-hydroxymethylfuran-2-carboxylic acid (HMFCA) as intermediates. Under optimization condition (30 min, 40 °C), 100% yield of FDCA was obtained. Furthermore, it was also demonstrated that the yield of FDCA up to 90% was gained in 5 wt % FMF concentration. Higher oxygen species mobility and lattice oxygen ratio endowed MoCuO x excellent catalytic activity. The synergy of Mo and Cu species in MoCuO x ensured an efficient conversion of HMF to FDCA through synergistic redox couple of Mo 6+ /Mo 5+ and Cu 2+ /Cu + .
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JOURNAL OF CATALYSIS
·
2026
·
IF 6
Zhengxi Zou,Zhenke Xu,Weiming Hua,Yinghong Yue,Zi Gao
Catalytic ethane dehydrogenation to ethylene is an attractive route for ethylene production following the shale gas revolution. However, its industrial implementation remains challenging due to high costs and environmental concerns. Iron-based catalysts have been identified as promising alternatives, while their catalytic performance is significantly dependent on the coordination environment and oxidation state of the iron species. Herein, a series of Fe/ZSM-5 catalysts were synthesized via urea precipitation (FeZ-P) and incipient wetness impregnation (FeZ-I) methods to investigate the relationship between Fe species evolution and catalytic behavior during ethane dehydrogenation. The FeZ-P catalysts exhibited significantly enhanced activity compared with FeZ-I, which was attributed to the improved dispersion of iron species and their favorable transformation behavior under reaction conditions. Detailed characterizations of fresh and spent catalysts revealed that the initial Fe 2 O 3 species on FeZ-P surface possessed limited dehydrogenation activity but underwent reaction-induced reduction and carbonization, generating Fe 3 C with enhanced ethane dehydrogenation performance. In contrast, the Fe 2 O 3 bulks on FeZ-I exhibited slower transformation rates, resulting in inferior catalytic activity. Air oxidation treatment enabled partial regeneration of the catalyst by removing carbon deposits and modifying Fe species evolution. This study highlights the importance of regulating Fe species dispersion and dynamic reduction-carbonization behavior, through which catalytically active Fe 3 C can be generated for enhanced ethane dehydrogenation performance. These findings provide valuable insights into the rational design of efficient Fe-based catalysts for non-oxidative alkane dehydrogenation.
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ENVIRONMENTAL TECHNOLOGY
·
2023
·
IF 2.8
Yuyang Long,Liqun Xiao,Dan Zhou,Yanjun Meng,Lulu Wang,Dongsheng Shen
Chitin biomass is the second largest biomass resource on Earth but under-utilized. In this study, pretreated shrimp shells were converted into value-added platform chemical 5-hydroxymethylfurfural (HMF) using microwave hydrothermal treatment. Under the combined pretreatment of acid decalcification at room temperature and microwave-assisted alkali deacetylation, the HMF yield could reach 1.8 wt%. The key process parameters, including the holding temperature, holding time, and pH value, were evaluated and optimised. The highest HMF yield of 6.5 wt% was obtained at 202.6°C at a holding time of 5.8 min and a pH value of 1.5. This result demonstrates the potential of synchronously treating waste and recycling it, thereby offering a highly promising valorisation strategy for chitin-biomass utilisation.
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PubMed
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EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
·
2019
·
IF 4.833
Wen-Lin Tang,Yu Zhang,De-Xuan Hu,Hui Yang,Qian Yu,Jian-Wen Chen,Keli Agama,Yves Pommier,Lin-Kun An
DNA topoisomerase IB (TOP1) regulates DNA topological structure in many cellular metabolic processes and is a validated target for development of antitumor agents. Our previous study revealed that the benzophenanthridone scaffold is a novel chemotype for the discovery of TOP1 inhibitors. In this work, a series of novel 5-aminoethyl substituted benzophenanthridone derivatives have been synthesized and evaluated for TOP1 inhibition and cytotoxicity. Compound 12 exhibits the most potent TOP1 inhibition (+++) and cytotoxicity in human cancer cell lines with GI 50 values at nanomolar concentration range. 12 induces the cellular TOP1cc formation and DNA damage, resulting in HCT116 cell apoptosis . The pharmacokinetics , acute toxicity and antitumor efficiency in vivo of 12 were also studied.
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PubMed
高影响因子
LANGMUIR
·
2023
·
IF 3.9
Changhao Bing,Xubin Zhang,Fumin Wang,Yi Zhai,Yongwang Li,Kaiwei Wang,Xiaolu Fan,Jinjin Zhang,Qi Shen,Xinyuan He
Zeolite is considered an ideal catalyst for olefin hydration due to its high specific surface area and abundant acid sites. However, the immiscibility of the water–oil two phases in olefin hydration limits mass transfer, and the side reaction of etherification occurs acutely, resulting in a low yield of alcohol. Thus, water–oil amphiphilic HZSM-5 was prepared by sulfonating silanized zeolite. The successful introduction of organic and sulfonic acid groups is demonstrated by FT-IR, TG, and water contact angles. Amphiphilic HZSM-5 can stabilize the Pickering emulsion and catalyze cyclopentene hydration at the phase interface. In addition, NH3-TPD and Py-IR show that the amount of strong Bro̷nsted acid sites of zeolites increases significantly after sulfonation. This facilitates the rate-determining step of cyclopentene activation by H+ to form carbocation. Moreover, the nucleophilic side reactions are inhibited by a high concentration of H+. Finally, under the optimized reaction condition, the conversion of cyclopentene can achieve 5.066% with a selectivity of 85.37% to cyclopentanol, which almost reaches the reaction equilibrium.
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CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Zhenfei Yang,Xinnian Xia,Ming Fang,Longlu Wang,Yutang Liu
The selective oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-dicarbofuran (DFF), and 2,5-furanedicarboxylic acid (FDCA) is essential to its practical application. Herein, a novel Pt/ZIS/MnO 2 (PMZIS) photocatalysts with photothermal effect were well designed for selective and controlled oxidation of HMF toward DFF or FDCA. The product distribution of HMF photo-oxidation on PMZIS can be regulated by the photothermal effect. At a low temperature (10 °C) with PMZIS, DFF is the primary oxidation product with the yield of 54.6% and selectivity of 85.4%. At a high temperature (60–70 °C) induced by photothermal effect, the FDCA can be obtained with the yield of 61.5 % and selectivity of 82.9%. Moreover, the Z-scheme transfer pathway and Pt cocatalysts realize the spatial charge separation structure of PMZIS heterojunctions. This unique structure greatly inhibits charge recombination and maximizes the activation ability of molecular oxygen to efficiently generate of the reactive oxygen species (e.g., 1O 2 and O 2– ), thus significantly improving the photocatalytic performance. This work would provide valuable insight in the product regulation through photothermal effect for the photocatalytic specific selective oxidation of organic molecules.
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RENEWABLE ENERGY
·
2021
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IF 8.001
Feng Lin,Yulong Ma,Yonggang Sun,Kanghe Zhao,Tingting Gao,Yingbo Zhu
Due to the inertness and structural complexity of lignin, upgrading lignin to biofuels and fine chemicals still faces great challenges. In this paper, a one-pot method was used to catalyze straw lignin with H-ZSM-5 supported by Ni and Ru bimetals, and the lignin conversion rate reached 88.1%. The yield of monophenol was 19.5%, of which the yield of 4-ethylphenol and 4-ethylguaiacol was 4.9% and 3.8%, respectively. The 2D HSQC NMR analysis confirmed that the Ni–Ru/H-ZSM-5 catalyst had an obvious activity of breaking C β -O bonds before and after the reaction. The result showed that after loading metal Ni and Ru, the Lewis acid of the catalytic system was greatly increased, which caused electron transfer between Ni and Ru. 3Ni-1.5Ru/H-ZSM-5 had the strongest activity due to the largest synergy among Ni, Ru and H-ZSM-5. The synergy was the key factor leading to the cleavage of C–C and C–O bonds in straw lignin and the high-performance catalytic degradation of lignin. Besides, the effect of reaction solvent and hydrogen resource on upgrading lignin to fine chemicals over 3Ni-1.5Ru/HZSM-5 catalyst was also intensively investigated. This research developed a method for the direct conversion of lignin into valuable monophenols.
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NEW JOURNAL OF CHEMISTRY
·
2021
·Vol. 45
·期 18
·8306-8313
·
IF 3.591
Hui Xu,Yue Xiao,Jinlu Tang,Dongfang Liu,Xinxin Shi,Aaron Albert Aryee,Hongmin Meng,Lingbo Qu,Zhaohui Li
Chemotherapy for cancer treatment is widely used but remains restricted by several limitations, including inefficient drug delivery and concomitant adverse side effects. Herein, we report a new prodrug-based self-assembled nanoparticle for the efficient treatment of cancer. Amphiphilic prodrug molecules (3′,5′-dioleoyl floxuridine, DOF) were constructed to form prodrug nanoparticles (DOF NPs) through a self-assembly process in water via hydrophobic interactions. The DOF NPs with high stability can be quickly enriched in tumor cells and release the floxuridine drug via hydrolysis of ester bonds by esterase. In vitro experiments reveal that the DOF NPs possess satisfactory tumor killing effects and weak toxicity and side effects. These unique features could further promote the research progress of prodrug-based self-assembled strategies for the application of chemotherapy in cancer.
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危险品化学品经营许可证（带存储）