Ping Xue

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Organization: Ningxia University
Department: State Key Laboratory Cultivation Base of Natural Gas Conversion
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Co-reporter:Hongcun Bai, Ping Xue, Jia-Yuan Tao, Wen-Xin Ji, Zhi-Min Han, Yujia Ma, Yongqiang Ji
Computational and Theoretical Chemistry 2015 Volume 1069() pp:138-146
Publication Date(Web):1 October 2015
DOI:10.1016/j.comptc.2015.07.017
•Silicon substitution is more favorable to occur near the cap regions of nanotubular fullerene C90.•Silicon doping could increase the nonlinear optical property of fullerene C90 cage.•Silicon doping has no much influence on the aromaticity of the nanotubular fullerene C90.This work presented theoretical studies of nanotubular fullerene C90 upon the silicon substitutional doping by means of density functional theory combined with self-consistent field molecular orbital method. The doping effect on geometrical structure, relative stability, defect formation energy, electronic property, nonlinear optical property and aromaticity of the tube-shaped C90 fullerene has been addressed systemically and in details with B3LYP method. It is observed that the silicon atoms exhibit extroversion trend in the doped structure. The obtained defect formation energy is in the range of 4.861–5.231 eV for the doped C90 studied, and the substitutionally doping the C90 by Si atom is more favorable to occur near the cap region according to the calculated defect formation energies. The distributions for the highest occupied molecular orbital of the doped C90 are approach to that of the pure C90 fullerene. However, the lowest unoccupied orbital of most doped C90 exhibit obvious localization at the silicon site. To study the nonlinear optical property of the doped structures, the third-order nonlinear optical constant, γ is computed with finite-field method. The enhanced values of nonlinear optical constant of the fullerenes upon silicon doping are observed and understand by γ density analysis. Moreover, the doping effect on the aromaticity of the nanotubular is also studied based on the probe of nuclear independent chemical shift.
Co-reporter:Ping Xue, Zhen-Zhen Kang, Xiao-Yong Lai, Guan-Qun Qu, Yuan-Yuan Li
Chinese Chemical Letters 2013 Volume 24(Issue 12) pp:1112-1114
Publication Date(Web):December 2013
DOI:10.1016/j.cclet.2013.07.005
We report an efficient kinetic resolution of racemic 2-(4-chlorophenyl)-4-hydroxytetrahydro-pyran (CLP-4-HTHP) via Pseudomonas cepacia lipase (PSL)-catalyzed transesterification, where PSL is immobilized on a core–shell MnFe2O4@SiO2-(CH2)3-NH2 carrier and used as a magnetically separable catalyst. The as-synthesized PSL/MnFe2O4@SiO2-(CH2)3-NH2 catalyst exhibits enhanced catalytic activity for resolving racemic CLP-4-HTHP to the corresponding optically pure (2R,4S)-CLP-4-HTHP compared to the free PSL. The ees for the former is 2.3 times larger than that for the latter under optimized conditions (99.4% and 44.1%, respectively), although the eep for them are same (99.2%). Meanwhile, the PSL/MnFe2O4@SiO2-(CH2)3-NH2 catalyst possesses a high saturate magnetization of 59.7 emu/g and could be easily recovered by magnetic separation and reused. The catalytic activity in six recycling tests did not significantly decrease, suggesting its great potential for industrial applications.An efficient kinetic resolution of racemic 2-(4-chlorophenyl)-4-hydroxytetrahydro-pyran via a Pseudomonas cepacia lipase-catalyzed transesterification is reported. The PSL was immobilized on a core–shell MnFe2O4@SiO2-(CH2)3-NH2 carrier and used as a magnetically separable catalyst.
Co-reporter:Ping Xue, Xiao Dan Song, Xue Rong Cao
Chinese Chemical Letters 2010 Volume 21(Issue 7) pp:765-768
Publication Date(Web):July 2010
DOI:10.1016/j.cclet.2010.02.015
Penicillin G acylase (PGA) was immobilized on the magnetic hydrophilic polymer microspheres with average pore size of 17.1 nm, specific surface area of 128.2 m2/g and saturate magnetization of 6.4 emu/g. The 96.7% ampicillin yield with 1.60 of the synthesis/hydrolysis (S/H) ratio from 6-aminopenicillanic acid (6-APA) and d-(−)-alpha-phenylglycine methyl ester (d-PGME) can be achieved using the resultant magnetic biocatalyst in ethylene glycol, where only 82.1% yield with 1.40 of the S/H ratio was obtained using the free PGA under the identical reaction conditions. The immobilized PGA can be separated magnetically and recycled for five times without obvious loss of its catalytic activity.
Co-reporter:Ping Xue, Fang Xu, Lidong Xu
Applied Surface Science 2008 Volume 255(Issue 5) pp:1625-1630
Publication Date(Web):30 December 2008
DOI:10.1016/j.apsusc.2008.06.162

Abstract

The epoxy-functionalized mesoporous cellular foams (G-MCFs) with high specific surface area (∼400 m2/g) and large-size mesopores (∼17 nm) were obtained by condensation of 3-glycidoxypropyltriethoxysilane (GPTS) and the surface silanol groups of mesoporous cellular foams (MCFs) and used as the support for immobilization of penicillin G acylase (PGA). The structural properties of G-MCF were characterized by FT-IR, N2 adsorption, TG–DTA and 29Si MAS NMR. The studies indicated that the glycidoxypropyl groups were chemically bonded to the silicon atoms on the surface of MCF. The epoxy-functionalized mesoporous cellular foams can provide the microenvironments suitable for the immobilization of PGA, and the enzyme molecules could be immobilized covalently onto the G-MCF under mild conditions by reaction between the amino groups of the enzyme molecules and the epoxy groups on the surface of G-MCF. The PGA immobilized on G-MCF (PGA/G-MCF) exhibited the apparent activity of 1782 IU/g and 46.6% of activity recovery for hydrolyzing penicillin G potassium to produce 6-aminopenicillanic acid at 37 °C which were higher than that of PGA on pure silica MCF (1521 IU/g and 39.8%, respectively). The kinetic study also indicated that PGA immobilized on G-MCF has a Km of 2.1 × 10−2 mol/L lower than that of PGA immobilized on the pure silica MCF (5.0 × 10−2 mol/L). These may be attributed to the enhanced surface affinity between G-MCF support and the substrate molecules. Due to the covalent immobilization of PGA molecules on the surface of G-MCF, the immobilized PGA with considerable operational stability was achieved. The activity of PGA/G-MCF is still about 91.4% of its initial activity at the 10th cycle reuse while that of PGA/MCF only remains 41.5% of its initial activity at the same reuse numbers. In addition, the investigation results show the thermal stability and durability on acid or basic medium of PGA immobilized on G-MCF were improved remarkably.

Lipase B
 
2-OXAZOLIDINONE, 3-(5-AZIDO-1-OXOPENTYL)-4-(PHENYLMETHYL)-, (4S)-
[(S,S)-Teth-TsDpen RuCl]
Ethyl 2-(4-bromophenyl)-2-diazoacetate
Benzeneacetic acid, α-diazo-, phenylmethyl ester
Benzenepropanoic acid, a-hydroxy-, 1-methylethyl ester
2-azido-3-(4'-methoxyphenyl)acrylic acid methyl ester