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91.
Xiaomei Zhang Liang Shi Guocai Xu Chaoyue Chen 《Journal of inclusion phenomena and macrocyclic chemistry》2013,75(1-2):147-153
Two new β-CD-calix[4]arene coupling products 3,4 which contained one or two β-CD units in molecules were synthesized by ammonolysis of p-tert-butyl-25,27-dihydroxyl-26,28-di (ethoxy carbonyl methoxyl) calix[4]arene 1 and mono-6-ethylenediamino-6-deoxy-β-CD 2, and their structures were confirmed by 1H NMR, IR and MS (Maldi-Tof). The probable mechanism for forming 3 was discussed also. Using water-insoluble coupling product 3 as an adsorbent, the influences of the adsorption capacities of 3 including initial concentration, temperature and pH onto basic fuchsin (BF) and methylene blue (MB) from aqueous solution were investigated. Results showed that the adsorption capability of 3 to BF was obviously higher than that to MB at similar adsorption conditions. The values of %sorption to BF were over 90 % in range of initial concentrations from 20 to 140 mg L?1 whenas those to MB dropped rapidly from 92 to 58 %. The adsorptions of 3 to both BF and MB obeyed Freundlich adsorption isotherm well. 相似文献
92.
Kongkai Zhu Junyan Lu Zhongjie Liang Xiangqian Kong Fei Ye Lu Jin Heji Geng Yong Chen Mingyue Zheng Hualiang Jiang Jun-Qian Li Cheng Luo 《Journal of computer-aided molecular design》2013,27(3):247-256
New Delhi metallo-β-lactamase-1 (NDM-1) has emerged as a major global threat to human health for its rapid rate of dissemination and ability to make pathogenic microbes resistant to almost all known β-lactam antibiotics. In addition, effective NDM-1 inhibitors have not been identified to date. In spite of the plethora of structural and kinetic data available, the accurate molecular characteristics of and details on the enzymatic reaction of NDM-1 hydrolyzing β-lactam antibiotics remain incompletely understood. In this study, a combined computational approach including molecular docking, molecular dynamics simulations and quantum mechanics/molecular mechanics calculations was performed to characterize the catalytic mechanism of meropenem catalyzed by NDM-1. The quantum mechanics/molecular mechanics results indicate that the ionized D124 is beneficial to the cleavage of the C–N bond within the β-lactam ring. Meanwhile, it is energetically favorable to form an intermediate if no water molecule coordinates to Zn2. Moreover, according to the molecular dynamics results, the conserved residue K211 plays a pivotal role in substrate binding and catalysis, which is quite consistent with previous mutagenesis data. Our study provides detailed insights into the catalytic mechanism of NDM-1 hydrolyzing meropenem β-lactam antibiotics and offers clues for the discovery of new antibiotics against NDM-1 positive strains in clinical studies. 相似文献
93.
Wang Jin-Lan Liu Zhi-Hua Zhao Ying-Nan Li Jun Shi Zhi-Chun Liang Xin-Rui Zhao Ming Zhang Shu-Jun 《Chemistry of Natural Compounds》2022,58(4):601-603
Chemistry of Natural Compounds - A new lactam, 5-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-pyrrolidinone (1), was isolated from the ethyl acetate extract of Cannabis sativa L. The structure was... 相似文献
94.
Gao Wenli Zhou Liang Guan Ying Gao Hui Liu Shengquan 《Cellulose (London, England)》2022,29(2):1069-1080
Cellulose - A new strategy was proposed to determine the Kappa number of bleached Eucalyptus globulus kraft pulps based on FT-Raman spectroscopy. Before modeling, smoothing (Savitzky-Golay),... 相似文献
95.
Selective oxidation of methane to methanol under mild conditions has been considered as a dream reaction but suffers from poor efficiency due to the strong C-H bond of methane and easy overoxidation of the methanol product. For overcoming these problems, a series of strategies has been developed for improving methanol productivity with oxidants of hydrogen peroxide and even a mixture of oxygen and hydrogen at mild temperatures. Significant achievements in these strategies using effective catalysts, such as supported metal nanoparticles, colloidal metal nanoparticles, and metal@zeolites are briefly concluded. Moreover, the current challenges, future perspectives for preparing active, selective, and stable catalysts, have been discussed. The zeolite fixed metal nanoparticle structure has been found to boost the reaction by benefiting the formation and enrichment of peroxide intermediates, which might guide the development of more efficient catalysts. 相似文献
96.
Wangyu Li Mingteng Xiong Xiao Liang Dungai Wang Heping Zhu Prof. Dr. Yuanjiang Pan 《ChemistryOpen》2022,11(1):e202100268
An electro-oxidative cyclization pathway in which hydrazones are selected as starting materials to generate amphiphiles by reacting with benzylamines and benzamides was reported. This strategy successfully prepared a series of 1,2,4-triazoles in satisfactory yields. Moreover, the use of cheap stainless steel as the anode, the feasibility to conduct the transformation as a one-pot reaction and the proof that scaling-up these reactions is possible make this transformation attractive for potential application in industry. 相似文献
97.
Ning Liang Yuk-Man Li Zouyan He Wangjun Hao Yimin Zhao Jianhui Liu Hanyue Zhu Erika Kwek Ka-Ying Ma Wen-Sen He Zhen-Yu Chen 《Molecules (Basel, Switzerland)》2021,26(12)
Rutin (R) and quercetin (Q) are two widespread dietary flavonoids. Previous studies regarding the plasma cholesterol-lowering activity of R and Q generated inconsistent results. The present study was therefore carried out to investigate the effects of R and Q on cholesterol metabolism in both HepG2 cells and hypercholesterolemia hamsters. Results from HepG2 cell experiments demonstrate that both R and Q decreased cholesterol at doses of 5 and 10 µM. R and Q up-regulated both the mRNA and protein expression of sterol regulatory element binding protein 2 (SREBP2), low-density lipoprotein receptor (LDLR), and liver X receptor alpha (LXRα). The immunofluorescence study revealed that R and Q increased the LDLR expression, while only Q improved LDL-C uptake in HepG2 cells. Results from hypercholesterolemia hamsters fed diets containing R (5.5 g/kg diet) and Q (2.5 g/kg diet) for 8 weeks demonstrate that both R and Q had no effect on plasma total cholesterol. In the liver, only Q reduced cholesterol significantly. The discrepancy between the in vitro and in vivo studies was probably due to a poor bioavailability of flavonoids in the intestine. It was therefore concluded that R and Q were effective in reducing cholesterol in HepG2 cells in vitro, whereas in vivo, the oral administration of the two flavonoids had little effect on plasma cholesterol in hamsters. 相似文献
98.
Qiang Fu Xianjie Wang Jiecai Han Jun Zhong Tongrui Zhang Tai Yao Chengyan Xu Tangling Gao Shibo Xi Ce Liang Lingling Xu Ping Xu Bo Song 《Angewandte Chemie (International ed. in English)》2021,60(1):259-267
To ensure sustainable hydrogen production by water electrolysis, robust, earth‐abundant, and high‐efficient electrocatalysts are required. Constructing a hybrid system could lead to further improvement in electrocatalytic activity. Interface engineering in composite catalysts is thus critical to determine the performance, and the phase‐junction interface should improve the catalytic activity. Here, we show that nickel diphosphide phase junction (c‐NiP2/m‐NiP2) is an effective electrocatalyst for hydrogen production in alkaline media. The overpotential (at 10 mA cm?2) for NiP2‐650 (c/m) in alkaline media could be significantly reduced by 26 % and 96 % compared with c‐NiP2 and m‐NiP2, respectively. The enhancement of catalytic activity should be attributed to the strong water dissociation ability and the rearrangement of electrons around the phase junction, which markedly improved the Volmer step and benefited the reduction process of adsorbed protons. 相似文献
99.
Pairing-deformation-frequency self-consistent crankingWoods-Saxon model is employed to investigate the triaxiality in the ground states of the neutron-rich even-even Mo, Ru isotopes. Deformation evolutions and transition probabilities have been studied, giving the triaxial shapes in their ground states. The kinematic moments of inertia have been calculated to illustrate the gradually rigid deformation. To understand the origin of the asymmetry shape in this region, we analyze the evolution of single-particle orbits with changing γ deformation. The present calculations reveal the importance of the triaxial deformation in describing not only static property, but also rotational behaviors in this mass region, providing significant probes into the shell structure around. 相似文献
100.