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Quantitative structure-activity relationship of compounds binding to estrogen receptor β based on heuristic method

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Science china Chemistry 2011年第1期 236-242页

作者： ZHANG YiMing1,YANG XuShu2,SUN Cheng3 & WANG LianSheng3 1school of Basic medical Sciences,nanjing medical university,nanjing 210029,china 2school of pharmacy,nanjing medical university,nanjing 210029,china 3State Key Laboratory of Pollution Control and Resources Reuse school of Environment,nanjing university,nanjing 210093,china

Estrogen compounds may pose a serious threat to the health of humans and *** estrogen receptor (ER) exists as two subtypes,ERβ and ERβ.Compounds might have different relative affinities and binding modes for ERβ and ERβ.In this study,the heuristic method was performed on 31 compounds binding to ERβ to select 5 variances most related to the activity (LogRBA) from 1524 variances,which were then employed to develop the best model with the significant correlation and the best predictive power (r2 = 0.829,qL2OO = 0.742,rp2red = 0.772,qe2xt = 0.724,RMSEE = 0.395) using multiple linear regression (MLR).The model derived identified critical structural features related to the activity of binding to ERβ.The applicability domain (AD) of the model was assessed by Williams plot.

关键词： estrogen receptor β (ERβ) quantitative structure-activity relationship (QSAR) heuristic method applicability domain

高效液相色谱-串联质谱法测定人血浆中多尼培南的浓度

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中国新药与临床杂志 2009年第5期28卷 380-384页

作者：唐红英刘江慧邹建军季宏建吴定伟娄晟湖南省邵阳市第一人民医院药剂科湖南邵阳422001 南京医科大学附属南京第一医院国家药物临床试验机构江苏南京210006 南京医科大学药学院江苏南京210029 浙江仙琚制药股份有限公司浙江台州317300

目的建立高效液相色谱-质谱联用(LC-MS-MS)法测定人血浆内多尼培南浓度的方法。方法采用Agilent Zorbax C18(2.1mm×150mm,5μm)色谱柱;柱温25℃;流动相为甲醇-水(含10mmol·L-1乙酸铵)(32∶68,V/V);流速为0.2mL·min-1;通过LC-MS-MS,电喷雾离子源(ESI),以多反应监测(MRM)方式进行检测;离子极性监测负离子(-);检测离子为多尼培南m/z419.8[M-H]-→331.4[M-H-C4H7O2]-,法罗培南(内标)m/z284.2[M-H]-→196.1[M-H-C4H7O2]-。结果多尼培南的最低定量限为3.003μg·L-1,线性范围为3.003～10010μg·L-1(r=0.9982)。结论该方法简便、灵敏度高,可以用来进行多尼培南的人体药动学和生物等效性研究。

关键词：多尼培南血浆色谱法高压液相光谱法质量电喷雾电离

液相色谱-串联质谱法测定人血浆中倍他米松的浓度

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中国新药与临床杂志 2011年第3期30卷 220-225页

作者：谭洁贺春晖刘江慧余潜胡云芳程俊霖于翠霞周洁樊宏伟朱余兵邹建军南京医科大学附属南京第一医院国家药物临床试验机构江苏南京210006 南京医科大学药学院江苏南京210029

目的建立快速、灵敏的液相色谱-串联质谱法测定人血浆中倍他米松(BOH)浓度的方法。方法采用Agilent Zorbax C_(18)(2.1mm×150mm,5μm)色谱柱,柱温25℃,流动相为甲醇-水(85:15,V/V),流速为0.2mL·min^(-1),电喷雾(ESI)离子源,多反应离... 详细信息

目的建立快速、灵敏的液相色谱-串联质谱法测定人血浆中倍他米松(BOH)浓度的方法。方法采用Agilent Zorbax C_(18)(2.1mm×150mm,5μm)色谱柱,柱温25℃,流动相为甲醇-水(85:15,V/V),流速为0.2mL·min^(-1),电喷雾(ESI)离子源,多反应离子监测(MRM)的扫描方式。BOH采用负离子检测,二丙酸倍氯米松(内标,IS)采用正离子检测,BOH和IS的离子通道分别选择为m/z 361.0→m/z307.2和m/z 543.1→m/z 433.2。结果 BOH在0.1～30μg·L^(-1)浓度范围内有良好的线性关系(r^2=0.999 1),定量下限(LOQ)为0.1μg·L^(-1),日内、日间精密度(RSD)均小于15%,提取回收率均在65%左右,相对回收率均在85%～115%范围内。结论该方法简便、准确、灵敏,可用于人血浆中BOH的浓度检测、人体药动学和生物等效性研究。

关键词：倍他米松色谱法,高压液相光谱法,质量,电喷雾电离

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药学专业有机化学考试改革初探

山西医科大学学报（基础医学教育版） 2005年第6期7卷 591-594页

作者：姜慧君周乐山张振琴何广武南京医科大学药学院南京210029 金陵职业教育中心

为适应现代药学教育的发展,分析了现行考试模式的不足及对教学的影响,结合教改实践,对药学专业有机化学考试方式、内容、形式、成绩及考试效果进行了改革实践,并对进一步开展考试考核改革提出思考.

关键词：有机化学教学方法考试改革

QP-FREE,TRUNCATED HYBRID METHODS FOR LARGE-SCALE NONLINEAR CONSTRAINED OPTIMIZATION

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Journal of Computational Mathematics 1997年第1期15卷 36-54页

作者： Q. Ni(school of Science, nanjing university of Aeronautics and Astronautics, nanjing, china) 南京航空航天大学研究生院江苏南京

In this paper, a truncated hybrid method is proposed and developed for solving sparse large-scale nonlinear programming problems. In the hybrid method, a symmetric system of linear equations, instead of the usual quadratic programming subproblems, is solved at iterative process. In order to ensure the global convergence, a method of multiplier is inserted in iterative process. A truncated solution is determined for the system of linear equations and the unconstrained subproblems are solved by the limited memory BFGS algorithm such that the hybrid algorithm is suitable to the large-scale problems. The local convergence of the hybrid algorithm is proved and some numerical tests for medium-sized truss problem are given.

关键词： QP-FREE,TRUNCATED HYBRID METHODS FOR LARGE-SCALE NONLINEAR CONSTRAINED OPTIMIZATION II

A local probability exponential inequality for the large deviation of an empirical process indexed by an unbounded class of functions and its application

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Science china Mathematics 2004年第6期47卷 821-830页

作者： ZHANG DixinDepartment of Finance, Business school, nanjing university, nanjing 210093, china Department of Finance Business School Nanjing University Nanjing China

A local probability exponential inequality for the tail of large deviation of an empirical process over an unbounded class of functions is proposed and studied. A new method of truncating the original probability space and a new symmetrization method are given. Using these methods, the local probability exponential inequalities for the tails of large deviations of empirical processes with non-i.i.d. independent samples over unbounded class of functions are established. Some applications of the inequalities are discussed. As an additional result of this paper, under the conditions of Kolmogorov theorem, the strong convergence results of Kolmogorov on sums of non-i.i.d. independent random variables are extended to the cases of empirical processes indexed by unbounded classes of functions, the local probability exponential inequalities and the laws of the logarithm for the empirical processes are obtained.

关键词： empirical process large deviation unbounded class of functions local probability exponential inequality

Overexpression of Soluble Human Thymosin Alpha 1 in Escherichia coli

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Acta Biochimica et Biophysica Sinica 2005年第2期37卷 147-151页

作者： Pei-Fu CHEN Hong-Ying ZHANG Geng-Feng FU Gen-Xing XU Ya-Yi HOU medical school,nanjing university.nanjing 210093,china school of Life Sciences.nanjing university.nanjing 210093,china medical school Nanjing University Nanjing 210093 China school of Life Sciences Nanjing University Nanjing 210093 China

Synthesized gene of human thymosin alpha 1（Tα1）was inserted into pET-28a,pET-9c,pThioHis ***-2T or pBV222 and then inductively expressed in strains of Escherichia *** thefive expression systems,the BL21/pET-28a system provides the highest expression level of fusion protein ina soluble form,which is up to 70% of total expressed bacterial proteins as visualized by sodium dodecylsulfate-polyacrylamide gel electrophoresis（SDS-PAGE）.The resulting fusion protein purified through nickelaffinity chromatography accounts for 2.53% of the wet bacterial pellet weight and reaches 94.5% purity *** results indicate the potential of this expression system for high-throughput production ofrecombinant Tα1.

关键词： human thymosin alpha l Escherichia coli fusion expression Ni2+ affinity chromatography

Effect of Excipients on Stability and Structure of rhCuZn-SOD Encapsulated in PLGA Microspheres

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Chemical Research in Chinese Universities 2004年第3期20卷 323-327页

作者： LIU Ling 1,2 ,GE Yu 1 and YUAN Qin-sheng 1 1. State Key Laboratory of Bioreactor Engineering and Institute of Biochemistry,East china university of Science and Technology,Shanghai 200237,P. R. china 2. Public Health school,nanjing medical university,nanjing 210029,P. R. china State Key Laboratory of Bioreactor Engineering and Institute of Biochemistry East China University of Science and Technology 生物反应器工程国家重点实验室上海 200237

When a protein is encapsulated into poly( DL -lactide-co-glycolide)(PLGA) microspheres by means of the double-emulsion method,the harsh microspheres formation process including ultrasonification,exposure to an organic solvent and a polymer may cause the denaturation of the protein. In this study,we investigated the enzymatic activity change and the effect of the excipients on the stability of recombinant human Cu,Zn-superoxide dismutase(rhCu,Zn-SOD) during the emulsification. The specific activity recovery was found to be concentration dependent and the excipients involved such as PEG 600 and Tween 20,and trehalose were shown to increase the stability of rhCu,Zn-SOD. The protein structural integrity within the microspheres was analyzed by FTIR. The structure of rhCu,Zn-SOD within PLGA microspheres containing trehalose was found to be similar to that of the native solid state,whereas the protein encapsulated during the preparation in the absence of any excipient changed due to the possible hydrophobic interaction with the polymer. The results suggest that a rational stability strategy for protein to be encapsulated into microspheres should aim at different processes.

关键词： Poly( DL -lactide-co-glycolide)(PLGA) microsphere Recombinant human Cu Zn-superoxide dismutase(rhCu Zn-SOD) Fourier transform infrared(FTIR) spectroscopy Protein stability Excipient

Nonlinear boundary value problems for discontinuous delayed differential equations

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Applied Mathematics(A Journal of Chinese Universities) 2010年第1期25卷 9-17页

作者： SUN Wu-jun Department of Finance & Insurance, Business school of nanjing university, nanjing 210093, china Department of Finance and Insurance Business School of Nanjing University Nanjing China

In this paper nonlinear boundary value problems for discontinuous delayed differen- tial equations are considered. Some existence and boundedness results of solutions are obtained via the method of upper and lower solutions, which may be discontinuous. Our analysis can be applied to those phenomena from physics and control theory which have been successfully described by delayed differential equations with discontinuous functions, such as electric, pneu- matic, and hydraulic networks. It is also an important step to precede the design of control signals when finite-time or practical stability control are concerned.

关键词： Nonlinear boundary value problems upper and lower solutions discontinuous delayed differentialequations Carath^odory conditions existence of solutions.