JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Zhang Youqi,Zhang Qinqin,Xin Hua,Lv Meiheng,Zhang Zhigang
Ionic liquids (ILs) have been extensively used in the separation of alkane + alcohol azeotropes as entrainers by liquid–liquid extraction. n-Butanol is widely added to the fuel because of its high calorific value and low volatility. It is of significance to recovery n-butanol from the azeotropic mixture containing n-butanol. In this work, ionic liquids, formed by combining 17 cations and 12 anions, were screened based on the COSMO-RS model. 1-ethyl-3-methylimidazolium dicyanamide [EMIM][DCA], 1-butyl-3-methylimidazolium dicyanamide [BMIM][DCA] and 1-hexyl-3-methylimidazolium dicyanamide [HMIM][DCA] were selected as entrainers. The liquid–liquid equilibrium data of the ternary system {n-heptane + n-butanol + [EMIM][DCA], n-heptane + n-butanol + [BMIM][DCA], n-heptane + n-butanol + [HMIM][DCA]} were measured at 298.15 K and 101.3 kPa. The quality of experimental data was tested by Othmer-Tobias, Bachman and Hand equations. The distribution coefficient (β) and selectivity (S) were calculated to evaluate the separation effect of the three ILs. The NRTL model was used to correlate liquid–liquid equilibrium experimental data. Finally, quantum mechanics calculations were performed to study the interactions between ILs and n-butanol through the reduced density gradient (RDG) function and quantum theory of atom in the molecule (QTAIM). The results of quantum chemistry calculation showed that the separation of n-butanol and n-heptane mixture by ionic liquids with [DCA] anions were dominated by hydrogen bonding. The research process is devoted to the development of green entrainers.
✓ 已验证
产品关联
DOI
高影响因子
BIOORGANIC & MEDICINAL CHEMISTRY
·
2017
·
IF 2.93
Xiaoyan Han,Yifan Zhong,Guan Zhou,Hui Qi,Shengbin Li,Qiang Ding,Zhenming Liu,Yali Song,Xiaoqiang Qiao
A new series of thirteen N -(carbobenzyloxy)- l -phenylalanine and N -(carbobenzyloxy)- l -aspartic acid- β -benzyl ester compounds were synthesized and evaluated for antiproliferative activity against four different human cancer cell lines: cervical cancer (HeLa), lung cancer (A549), gastric cancer (MGC-803) and breast cancer (MCF-7) as well as topoisomerase I and IIα inhibitory activity. Compounds ( 5a , 5b , 5e , 8a , 8b ) showed significant antiproliferative activity with low IC 50 values against the four cancer cell lines. Equally, compounds 5a , 5b , 5e , 5f , 8a , 8d , 8e and 8f showed topoisomerase IIα inhibitory activity at 100 μM with 5b , 5e , 8f exhibiting potential topoisomerase IIα inhibitory activity compared to positive control at 100 μM and 20 μM, respectively. Conversely compounds 5e , 5f , 5g and 8a showed weaker topoisomerase I inhibitory activity compared to positive control at 100 μM. Compound 5b exhibited the most potent topoisomerase IIα inhibitory activity at low concentration and better antiproliferative activity against the four human cancer cell lines. The molecular interactions between compounds 5a – 5g , 8a – 8f and the topoisomerase IIα (PDB ID: 1ZXM ) were further investigated through molecular docking. The results indicated that these compounds could serve as promising leads for further optimization as novel antitumor agents.
✓ 已验证
DOI
PubMed
高影响因子
Materials Horizons
·
2023
·Vol. 10
·期 12
·5712-5719
·
IF 13.3
Mengmeng Wang,Yunmei Du,Shuangshuang Li,Xiaoli Sun,Bin Li,Yuanxiang Gu,Lei Wang
The N-doping strategy plays a vital role in optimizing electrocatalytic performance, but it often requires high-temperatures accompanied by the emission of irritating gases, which is contrary to the concept of energy saving and environmental protection. Based on this, this work innovatively uses the quenching of waste heat and the non-equilibrium state of materials to realize controllable N-doping. Notably, N dopants stimulate metal-like electroconductivity and accelerate the alkaline HER kinetics by optimizing the electronic structure of Ru2P. Surprisingly, the hydrophilic Ru core and the N-Ru2P shell with a low HER reaction energy barrier synergistically expedite hydrogen release. As anticipated, the current density of N-Ru2P@Ru (963 mA cm−2) is 2.6-fold that of Pt/C (359 mA cm−2) at 150 mV. Overall, the novel N-doping technology greatly simplifies material preparation procedures and reduces energy consumption. Moreover, this unique N-doping strategy provides a new idea for optimizing the catalyst structure and reaction kinetics.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2021
·
IF 10.588
Xingyu Fang,Lu Gan,Linjie Wang,Han Gong,Lijie Xu,Ying Wu,Haiqin Lu,Shuguang Han,Juqing Cui,Changlei Xia
In this study, mixed metal cobalt zinc oxide embedded nitrogen enriched porous carbon composites (CoZnO-PC) were prepared via pyrolyzing polyvinylpyrrolidone (PVP) encapsulated Co, Zn-bimetal centered zeolitic imidazolate frameworks (ZIF). The prepared composites were then used to activate peroxymonosulfate (PMS) for bisphenol A (BPA) removal in water. When mole ratio of Co/Zn was 2/1, the resulted Co 2 Zn 1 O-PC possessed spinel structure with prominent degradation capability, in which the introduction of Zn accelerated the PMS activation performance of Co through establishing bimetal synergistic interactions. Both radical and non-radical activation pathways were existed in the Co 2 Zn 1 O-PC/PMS system, in which Co 2 Zn 1 O dominated the radical pathway whereas PC dominated the non-radical way. Since PVP contained abundant nitrogen atoms and could form strong coordination interactions with the ZIF precursor, the introduction of PVP in the ZIF precursor prevented pore collapsing during pyrolysis process , as well as enhancing the nitrogen content in the pyrolzed composites, which significantly promoted the generation of singlet oxygen. With combined pathways, the Co 2 Zn 1 O-PC/PMS system showed a wide pH application range with promising mineralization rate. Meanwhile, the spinel-structured Co 2 Zn 1 O-PC was magnetically separable with desirable recyclability . This study presents a novel composite with remarkable performance for the removal of refractory organic pollutants in municipal wastewater .
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2020
·Vol. 49
·期 4
·423-457
·
IF 1.273
Cai Guangming,Yang Shaoqi,Wang Xinxin,Zhou Qing,Xu Junli,Lu Xingmei
2-hydroxy- N -(2-hydroxyethyl)- N -methylethanaminium methanesulfonate ([BHEM][mesy]) displayed good ability for separating cellulose from biomass material in previous works. In order to have a better understanding of the structure–property relationship and facilitate further potential applications in industry, it is necessary to obtain more data for the physicochemical properties of [BHEM][mesy] and its mixtures. In this work, the densities ( ρ ) and viscosities ( η ) of [BHEM][mesy] + solvents (water, methanol, ethanol, n -propanol and isopropanol) mixtures were measured at six temperatures from (298.15 to 323.15) K over the full molar composition range and fitted by an empirical quadratic equation and Vogel–Fucher–Tammann (VFT) equation. Moreover, the excess molar volumes ( V E ) and viscosity deviation (Δ η ) of five binary mixtures were calculated and correlated by the Redlich–Kister equation. In addition, the apparent molar volumes ( \({V}_{\varphi }\) ) and partial molar volumes ( \(\stackrel{-}{V}\) ) of [BHEM][mesy] and solvents were also calculated and all these physicochemical property data (density, viscosity, excess molar properties as well as the apparent molar properties) are discussed in terms of the structure and interaction of binary mixtures.
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2020
·
IF 3.573
Jincheng Mu,Jianfang Liu,Zhenzhen Ran,Muhammad Arif,Min Gao,Chen Wang,Shengfu Ji
MOF-808(Zr) with the coordinated unsaturated (CUS) Zr4+ centers was synthesized by the thermal reflux method, and a series of Au/MOF-808(Zr) catalysts with different Au loading percentages have been prepared by the impregnation–reduction method. The related X-ray diffraction, Fourier transform infrared spectroscopy, high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, N2 adsorption–desorption, Inductively coupled plasma-mass spectrometry, and NH3 temperature-programmed desorption characterizations have been undertaken to understand the structure of catalysts. The catalytic activity in CO2 with aniline/H2 to N-methylation and N-formylation has been studied in a batch reactor. Results show that the MOF-808(Zr) structures in catalysts are of high quality and damage-free. The Au nanoparticles (NPs) are highly dispersed on the surface of the MOF-808(Zr) cage with a mean size of 2–20 nm. Also, the catalysts could catalyze the conversion of CO2 with aniline/H2 to N-methylation and N-formylation products with a high efficiency. With a 3.0 wt % Au/MOF-808(Zr) catalyst, the conversion of aniline is 18.4%, and the selectivity of N-methylaniline is 80.9% and that of N,N-dimethylaniline is 19.1%. The preliminary reaction mechanism and the critical role of CUS were also studied. It is determined that H2 is adsorbed and activated on Au NPs. CO2 is adsorbed on the CUS Zr4+ acidic sites and O2– basic sites. The primary and secondary amines are adsorbed on the CUS Zr4+ acidic sites, where they react with CO2 and H2 to form N-formamide. Subsequently, N-formamide reacts with activated H2 to yield N-methylamine.
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
·
2020
·Vol. 44
·期 6
·4875-4887
·
IF 3.741
Zhixiu Yang,Xiaofei Guo,Guojie Zhang,Ying Xu
Summary Porous carbon materials have been widely used for CO 2 adsorption, but their preparation was subject to conditions such as raw material cost, activator corrosion, and temperature. In this study, nitrogen-doped porous carbonaceous adsorbents were prepared in a low temperature region (400-550°C) by one-step composite nitrogen doping method, using low-cost oil residue as raw materials and less corrosive NaNH 2 as activator. The CO 2 adsorption performances of the prepared N-doped porous adsorbents were systematically explored. The results showed that optimal oil residue-derived carbonaceous adsorbent owned excellent amount of CO 2 adsorption up to 3.51 and 5.63 mmol/g at 298 and 273 K under 1 bar, respectively. It was discovered that the congenerous influences of porous structure, nitrogen content and V n of the adsorbent affected their CO 2 adsorption performances under 1 bar. Importantly, these oil residue porous carbonaceous adsorbent also was verified owning fine selectivity of the CO 2 over N 2 (15.7), which attributed to its high V n and nitrogen content. Furthermore, optimal sample OAC-500-2.5 owned medium Q st (21-26 kJ/mol), which was beneficial practical application. This work may inspire new sparks on novel nitrogen-doped adsorbent with inexpensive precursor, low activation temperature and simple preparative tactic, indicating that the nitrogen-doped sample is promising in the practical situation of CO 2 adsorption.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Yajun Li,Xiaofang Li,Kui Wu
In this work, the solubility of N,N-dibenzylhydroxylamine (DBHA) in 17 pure solvents, including methanol, ethanol, n-propanol, n-butanol, acetone, ethyl acetate, dichloromethane, acetonitrile, isopropanol, n-octanol, cyclohexanone, 1,2-dichlorobenzene, toluene, isobutanol, n-pentanol, 1,2,4-trichlorobenzene, and tetrahydrofuran, was determined by a static gravimetric method with the temperature ranging from 273.15 to 323.35 K under atmospheric pressure. The solubility of DBHA was positively related to temperature in all selected solvents. Besides, the experimental solubility data were correlated with four thermodynamic models, i.e., the modified Apelblat equation, λh equation, nonrandom two-liquid (NRTL) equation, and the Wilson equation. The results indicated that all of the models could give satisfactory results and the NRTL equation provided the best fitting result. Furthermore, the dissolution thermodynamic parameters in the used solvents, including the Gibbs energy (ΔdisG), molar enthalpy (ΔdisH), and molar entropy (ΔdisS), were calculated according to the Wilson model, and it turned out that the dissolution process of DBHA was endothermic.
✓ 已验证
产品关联
DOI
高影响因子
International Journal of Greenhouse Gas Control
·
2019
·
IF 3.231
Fan Cao,Hongxia Gao,Qian Xiong,Zhiwu Liang
CO 2 absorption performance for various blended N ,N- dimethylethanolamine (DMEA) solutions in the presence of absorption promoters including Monoethanolamine (MEA), Piperazine (PZ), 2-(Ethylamino)ethanol (EAE), 2-(Methylamino)ethanol (MAE) and 2-Amino-2-methyl-1-propanol (AMP) was investigated in terms of CO 2 absorption flux by using a polytetrafluoroethylene (PTFE) hollow fiber membrane contactor. The experimental results show that the CO 2 absorption flux increases with a reasonable increase in liquid velocity, liquid temperature and total amine concentration. Also, the CO 2 absorption flux can increase by increasing gas velocity, CO 2 partial pressure but decrease with the increased lean CO 2 loading. In addition, it can be found that all of the investigated activated amines can improve the CO 2 absorption flux of aqueous DMEA solution. For fresh amine solution, the order of CO 2 absorption flux for the investigated amine blends can be ranked as: DMEA < DMEA + AMP < DMEA + MEA < DMEA + EAE < DMEA + MAE < DMEA + PZ. By contrast, for the amine solution with CO 2 loading of over 0.3 mol/mol, the order has also changed accordingly and can be ranked as: DMEA < DMEA + AMP < DMEA + EAE < DMEA + MAE < DMEA + MEA < DMEA + PZ. The DMEA + PZ mixture presents a significant improvement up to 52.44% in CO 2 absorption flux compared to that of single DMEA solution, and can be considered as a promising alternative for CO 2 capture.
✓ 已验证
产品关联
DOI
高影响因子
MACROMOLECULAR CHEMISTRY AND PHYSICS
·
2019
·Vol. 220
·期 9
·1900022
·
IF 2.622
Wenxiu Zhang,Xianhong Zhang,Yuhong Ma,Dong Chen,Wantai Yang
With UV–vis absorption in the range of 270–435 nm, 4-( N , N -diphenylamino)benzaldehyde (DPAB) takes efficient photoreduction quench with 4-cynao-4-(phenylcarbonothioylthio)pentanoic acid (CTP). The polymerization rates of methyl methacrylate (MMA) are 0.019, 0.056, and 0.102 h −1 at 33, 40, and 50 °C, respectively, in the presence of DPAB and CTP under visible-light irradiation. Dark reaction produces no PMMA at 50 °C for 120 h. The living feature is demonstrated by linearly increasing M n with the monomer conversions and narrow polydispersity index (PDI), chain extension, and block polymerizations with benzyl methacrylate (BnMA) and poly(ethylene glycol) monomethyl ether methacrylate (PEGMA). With PMMA-CTP ( M n = 6800, PDI = 1.17), chain extension gives PMMA with M n = 15 900 and PDI = 1.15. With PMMA-CTP ( M n = 6000, PDI = 1.21) as macro-RAFT, PMMA- b -PBnMA of M n = 12 600 (PDI = 1.44) and M n = 18 500 (PDI = 1.31) are prepared. These results support that there is a positive synergistic effect between polymerization temperature and visible-light irradiation on the photo-RAFT without losing the living features.
✓ 已验证
产品关联
DOI
高影响因子
ENERGY & FUELS
·
2019
·
IF 3.021
Hao Ling,Sen Liu,Tianyu Wang,Hongxia Gao,Zhiwu Liang
To get a more accurate mass transfer coefficient model of CO2 into aqueous monoethanolamine (MEA)/N,N-dimethylethanolamine (DMEA) solution in a packed column, the Henry’s law constant, equilibrium CO2 solubility, volumetric overall mass transfer coefficient (KGav), overall gas-phase mass transfer coefficient (KG), and effective gas–liquid interfacial area (av) were comprehensively studied. The Henry’s law constant was obtained using a jacketed stirred glass reactor, and the equilibrium CO2 solubility was investigated using a bubbling absorption reactor. Additionally, the mass transfer performance was measured and evaluated experimentally in a packed column with DX-Type structured packing in terms of KGav, KG, and av. These experiments were conducted under the MEA/DMEA concentration of 6 kmol·m–3 with ratio of 5:1. The dynamic changes of solubility, species concentration, and absorption heat of solution were analyzed under different CO2 loadings. The experimental results showed that the relationship of successive absorption without synergistic effect from the perspective of equilibrium state for the MEA/DMEA solution and the blended MEA/DMEA solution can reduce the CO2 absorption heat compared to that of MEA solution. Furthermore, a predicted model of KGav, which should be suitable for different solution systems with DX-Type structured packings in a packed column, was also proposed and developed based on the KG model and av model in this work.
✓ 已验证
产品关联
DOI
高影响因子
CHEMOSPHERE
·
2018
·
IF 4.427
Xiaohua Ren,Jinkui Feng,Pengchao Si,Lin Zhang,Jun Lou,Lijie Ci
3D porous sulfur and nitrogen co-doped graphene aerogel has been fabricated by a facile one-pot process. Both experimental and theoretical studies have demonstrated that sulfur and nitrogen co-doping could synergistically enhance the catalytic performance for activating peroxydisulfate (PDS) compared to the original and N doped graphene aerogels. The ratio of sulfur/nitrogen in the aerogel can be controlled by regulating the additions of thiourea and urea sources, and the aerogel with the S/N ratio of about 1:2.5 shows a better catalytic effect due to more significant changes in the electrostatic potential and the surface charge distribution, as revealed by the theoretical simulations. The radical quenching tests indicated that both SO 4 · - and ·OH radicals could be formed in the SN-rGO aerogel + PDS system and contribute most to RhB degradation.
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）