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Density functional study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine

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Science China Chemistry 2006年第4期49卷 296-307页

作者： LI Ming1, ZHENG Wenxu2.& TIAN Anmin2.1. department of Chemistry, {3.-China {2. {3., chongqing 400715, China 2. department of Chemistry, Sichuan {3., Chengdu 610064, China 1. department of Chemistry Southwest-China Normal University Chongqing 400715 China 2. department of Chemistry Sichuan University Chengdu 610064 China

The enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine is discussed by the density functional theory (DFT) method. The main intermediates and transition states for this reaction are optimized completely at the B3.YP/6-3.g(d) level, and the transition states are verified by vibrational modes. As shown, the chirality-controlled steps for this re- action are the hydride transfer from borane to carbonyl carbon and oxime carbon of keto oxime ether, and the chirality for the reduced products is determined in these two reaction steps. In all examined reaction paths, the first hydride is transferred via a six-membered ring and the second hydride via a five-membered ring or a four-membered ring.

关键词： keto oxime ether, oxazaborolidine, enantioselective reduction, DFT.

Study on the two and three-parameter working stability regions of 3.-TZP suspension

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Science China(Technological Sciences) 2006年第5期49卷 547-568页

作者： CHEN Youqiang1, 2. ZHANG Xinni3. CHEN Sha’ou3.& QI Ping3.1. department of Chemistry, Qingdao university, Qingdao 2.6071, China 2. department of Chemistry, Tsinghua university, Beijing 100084, China 3. department of physics, Qingdao university, Qingdao 2.6071, China 1. department of Chemistry Qingdao University Qingdao 266071 China 2. department of Chemistry Tsinghua University Beijing 100084 China 3. department of physics Qingdao University Qingdao 266071 China

We determined the variation tendency of viscosity (η) at various solids load- ing (α) for 3.-TZP suspension as a function of dispersant concentration (Cw) using vis- cosity measurement, measured the diameter of particles as a function of Cw in very dilute suspension using light scattering method, and obtained the surface features of the sedi- ment of suspension with different Cw using SEM. We also discussed the influence of the microstructure of adsorbed polymer layers on particles and their interactions in the dis- persing medium on the stability of suspension. Then two different stable states and two different unstable states for 3.-TZP suspension were given. Accordingly, the (Cw, η), (Cw, α), and (α, η) two-parameter, and (Cw, α, η) three-parameter stability maps were con- structed. Based on the DLVO theory calculations, the dispersant concentration, particle distance (r), and interparticle potential energy (VT) maps with various solids loading for 3.-TZP aqueous suspension were also constructed. In (Cw, r) two-parameter coordinate system, the stable motion region map for particles was established. The Cw, α, and VT,max (the highest potential energy) surface of the potential barrier map was obtained through calculation and simulation on the basis of the surfaces of Cw, r, VT maps introduced above. The (Cw, α) two-parameter stability map was then obtained from the Cw, α, VT,max map. The results showed that this theoretical map can qualitatively prove the experimentally obtained results—the existence of different dispersed states of particles in suspension system and the variation tendency of suspension stability with changing each parame- ter—were reasonable.

关键词： 3.-TZP, suspension, stability, DLVO theory, interparticle potential energy.

The joint limiting distribution of maxima with random indexes and sums of normal sequence

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西南师范大学学报（自然科学版） 1998年第5期23卷 1-6页

作者： Xie Shengrong department of Mathematics, southwest China {2. {3., chongqing 400715

Ｒｅｃｅｎｔｌｙ，ａｎｕｍｂｅｒｏｆｐａｐｅｒｓｈａｖｅｓｔｕｄｉｅｄｔｈｅｊｏｉｎｔａｓｙｍｐｔｏｔｉｃｉｎｄｅｐｅｎｄｅｎｔｐｒｏｐｅｒｔｉｅｓｏｆ∨ｎ１Ｘｉａｎｄｎ１Ｘｉｏｆｗｅａｋｌｙｄｅｐｅｎｄｅｎｔｓｔ... 详细信息

Ｒｅｃｅｎｔｌｙ，ａｎｕｍｂｅｒｏｆｐａｐｅｒｓｈａｖｅｓｔｕｄｉｅｄｔｈｅｊｏｉｎｔａｓｙｍｐｔｏｔｉｃｉｎｄｅｐｅｎｄｅｎｔｐｒｏｐｅｒｔｉｅｓｏｆ∨ｎ１Ｘｉａｎｄｎ１Ｘｉｏｆｗｅａｋｌｙｄｅｐｅｎｄｅｎｔｓｔａｔｉｏｎａｒｙｓｅｑｕｅｎｃｅ｛...

关键词： joint limiting distribution maximum random index sum normal sequence

Direct CP violation in hadronic B decays

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Science China(physics,Mechanics & Astronomy) 2006年第3期49卷 357-366页

作者： HONG Bihai1,2.& Lü Caidian3.1. department of physics, Lishui {2., Lishui 3.0}000,China {3., Shanghai Jiaotong {2., Shanghai 2.003., China 3. Institute of High Energy physics, Beijing 100049,China department of physics Lishui University Lishui 323000 China department of physics Shanghai Jiaotong University Shanghai 200030 China Institute of High Energy physics Beijing 100049 China

There are different approaches for the hadronic B decay calculations, recently. In this paper, we upgrade three of them, namely factorization, QCD factorization and the perturbative QCD approach based on kT factorization, using new parameters and full wave functions. Although they get similar results for many of the branching ratios, the direct CP asymmetries predicted by them are different, which can be tested by recent experimental measurements of B factories.

关键词： CP violation hadronic B decay factorization.

Periodic Solutions for Second Order Systems at Resonance

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Acta Mathematica Sinica,English Series 1998年第4期14卷 433-440页

作者： Tang Chunlei, department of Mathematics, southwest normal university,{2., China department of Mathematics Southwest Normal University 400715 Chongqing China

The existence and multiplicity results are obtained for periodic solutions of second order systems at resonance with unbounded nonlinearity. The proofs rely on the minimax methods and an interesting integral inequality.

关键词： Periodic solution Resonance Critical point The (PS) condition The saddle point theorem The generalized mountain pass theorem

Communication Resources Allocation for Time Delay Reduction of Frequency Regulation Service in High Renewable Penetrated Power System

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CSEE Journal of Power and Energy Systems 2024年第2期10卷 468-480页

作者： Hongjie He Ning Zhang chongqing Kang Song Ci Fei Teng Goran Strbac State Key Laboratory of Power Systems Department of Electrical EngineeringTsinghua UniversityBeijing 100084China department of Electrical and Electronic Engineering Imperial College LondonSW72BULondonU.K

The high renewable penetrated power system has severe frequency regulation *** resources can provide frequency regulation services but are limited by com-munication time *** paper proposes a communication resources allocation model to reduce communication time delay in frequency regulation *** device resources and wireless spectrum resources are allocated to distributed resources when they participate in frequency *** reveal impact of communication resources allocation on time delay reduction and frequency regulation ***,we study communication resources allocation solution in high renewable energy penetrated power *** provide a case study based on the HRP-3. *** show communication time delay decreases distributed resources'ability to provide frequency regulation *** the other hand,allocating more communication resources to distributed resources'communica-tion services improves their frequency regulation *** power systems with renewable energy penetration above 70%,required communications resources are about five times as many as 3.%renewable energy penetrated power systems to keep frequency performance the *** Terms-Communication resources allocation,commun-ication time delay,distributed resource,frequency regulation,high renewable energy penetrated power system.

关键词： Communication resources allocation communication time delay distributed resource frequency regulation high renewable energy penetrated power system

Low-Carbon Dispatching for Virtual Power Plant with Aggregated Distributed Energy Storage Considering Spatiotemporal Distribution of Cleanness Value

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Journal of Modern Power Systems and Clean Energy 2024年第2期12卷 346-358页

作者： Hongchao Gao Tai Jin Guanxiong Wang Qixin Chen chongqing Kang Jingkai Zhu State Key Laboratory of Power System Operation and Control Department of Electrical EngineeringTsinghua UniversityBeijing 100084China Sichuan Energy Internet Research Institute Tsinghua university Chengdu 200016China Power Dispatching and Control Center of Shanghai Municipal Electric Power Company Shanghai 200122China IEEE

The scale of distributed energy resources is increasing,but imperfect business models and value transmission mechanisms lead to low utilization ratio and poor *** address this issue,the concept of cleanness value of distributed energy storage(DES)is proposed,and the spatiotemporal distribution mechanism is discussed from the perspectives of electrical energy and *** on this,an evaluation system for the environmental benefits of DES is constructed to balance the interests between the aggregator and the power system ***,an optimal low-carbon dispatching for a virtual power plant(VPP)with aggregated DES is constructed,where-in energy value and cleanness value are both *** achieve the goal,a green attribute labeling method is used to establish a correlation constraint between the nodal carbon potential of the distribution network(DN)and DES behavior,but as a cost,it brings multiple nonlinear ***,a solution method based on the convex envelope(CE)linear re-construction method is proposed for the multivariate nonlinear programming problem,thereby improving solution efficiency and ***,the simulation verification based on the IEEE 3.-bus DN is *** simulation results show that the multidimensional value recognition of DES motivates the willingness of resource users to ***,resolving the impact of DES on the nodal carbon potential can effectively alleviate overcompensation of the cleanness value.

关键词： Distributed energy storage virtual power plant(VPP) spatiotemporal distribution low-carbon dispatching

Resonance Rayleigh scattering study of the interaction of bleomycinA_5 with nucleic acids and its analytical application

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Science China Chemistry 2007年第5期50卷 629-637页

作者： LIU JiangTao1,2. LIU ZhongFang1 & LIU ShaoPu1 1 School of Chemistry and Chemical Engineering, southwest university,{2., China 2.{3. of Chemistry, Fuling normal university, chongqing 408000, China School of Chemistry and Chemical Engineering Southwest UniversityChongqing400715China department of Chemistry Fuling Normal UniversityChongqing 408000China

The interaction of bleomycinA5 with nucleic acids has been investigated byusing resonance Rayleigh scattering (RRS),molecular absorption and fluorescence *** resultshows that in near pH 2.2.buffer medium and absence of any metal ions,nucleic acids are capable ofbinding with bleomycinA5 (BLMA5) to form complexes which can remarkably enhance the RRS intensityand result in batho-chromic and hyperchromic molecular absorption of nucleic acids and fluorescencequenching of *** RRS spectral characteristics for the binding products of bleomycinA5with various DNA and RNA are similar,and the maximum RRS peaks are at 3.1 nm for ctDNA and sDNA,3.0nm for hsDNA,3.0 nm for RNAtypeVI and RNAtypelll,*** increments of RRS intensity aregreatly different in which DNA enhances greatly and RNA enhances *** this work,the optimumconditions of the interaction and some influencing factors have been *** reactionmechanism and a binding model for the interaction of BLMA5 with the nucleic acids are ***,a highly sensitive,simple and rapid new method for the determination of DNA has *** detection limits (3.sigma) are 5.7 ng/mL for ctDNA,7.4 ng/mL for sDNA and 9.2.ng/mLfor hsDNA,*** method can be applied to determination of trace amounts of DNA.

关键词： bleomycinA5, nucleic acids, resonance Rayleigh scattering, fluorescence quenching, absorption spectrum.

A hybrid approach of Knowledge Discovery in fishery resources evaluation

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西南师范大学学报(自然科学版) 1999年第5期 536-544页

作者： Li\ Li department of Computer Science,southwest China {2. {3.,chongqing 400715

A framework is put for ward,which integrates Knowledge Discovery in Database (KDD) with case based reasoning (CBR) and Bayesian *** following tasks are fulfilled:(1)discovering refined rules;(2.retrieving structured data which can not be described by flat vector feature;(3.forecasting the location of central fishing ground for the next *** these have been applied to a real case with some encouraging and interesting results.

关键词： knowledge discovery in databases bayesian network case based reasoning causal network