邮政板式输送机的最优设计

对板式输送机轨道位置及节距等参数的设计方法进行了研究，分析了链轮中心与轨道之间距离对牵引链的影响，给出了合理的设计方法，并应用优化理论和计算机辅助设计方法，编制了相应的软件     

温度对第二类哑铃畴畴壁中VBL的影响

实验研究了非压缩状态下第二类哑铃畴（ⅡＤ）畴壁中垂直布洛赫线（ＶＢＬ）的温度稳定性，发现了与材料参量有关的两个重要温度（Ｔ）（ⅡＤ）与（Ｔ０）（ⅡＤ）当温度达到（Ｔ　）（ⅡＤ）时，ⅡＤ畴壁中的ＶＢＬ开始丢失；当温度达到（Ｔ０）（ⅡＤ）时，所有ⅡＤ畴壁中的ＶＢＬ链全部解体。在（Ｔ　　）（ⅡＤ）与（Ｔ０）（ⅡＤ）之间，温度越高，ⅡＤ畴壁中丢失的ＶＢＬ数目越多。     

关于二重非齐次可列马氏链的一类极限定理

给出了可列非齐次二重马尔可夫链的三元状态序组出现频率的一类强极限定理和推论．在定理的证明中，采用一种研究概率极限的新方法：分析法——而不是传统的研究概率极限的概率方法，并且加以改进，用以研究可列非齐次二重马氏链极限性质，并得出一类非齐次可列二重马氏链的极限定理，所得结论对任意可列非齐次二重马尔可夫链都成立。     

基于螺旋理论三自由度并联机器人型综合新方法

并联机器人的构型设计即型综合是并联机器人设计的首要环节,基于螺旋理论,从并联机构运动链分类的角度,提出用约束添加法对三自由度并联机构进行型综合,让主动链控制所需的自由度,而从动链约束不需要的自由度;提出了相应主动链和从动链各种类型,并对约束链作了较详细的分类,通过不同组合可得到不同性能的新构型.最后通过实例进一步阐明这一方法.该方法使型综合步骤更简洁,只要选择与自由度数相同个数的主动链,并合理选择约束链就可以组合出新的并联机器人.     

Fine Tunable,Redox Active Octapalladium Chains Supported by Linear Tetraphosphines,Leading to Dynamically 1D Self-Assembled Coordination Polymers

A series of the octapalladium chains supported by meso-Ph₂PCH₂P(Ph)CH₂P(Ph)CH₂PPh₂ (meso-dpmppm) ligands, [Pd₈(meso-dpmppm)₄(L)₂](BF₄)₄ (L=none ( 1 ), solvents: CH₃CN ( 2 a ), dmf ( 2 b ), dmso ( 2 c ), RN≡C: R=Xyl ( 3 a ), Mes ( 3 b ), Dip ( 3 c ), ^tBu ( 3 d ), Cy ( 3 e ), CH₃(CH₂)₇ ( 3 f ), CH₃(CH₂)₁₁ ( 3 g ), CH₃(CH₂)₁₇ ( 3 h )) and [Pd₈(meso-dpmppm)₄(X)₂](BF₄)₂ (X=Cl ( 4 a ), N₃ ( 4 b ), CN ( 4 c ), SCN ( 4 d )), were synthesized by using 2 a as a stable good precursor, and characterized by spectroscopic (IR, ¹H and ³¹P NMR, UV-vis-NIR, ESI-MS) measurements and X-ray crystallographic analyses (for 1 , 2 a , b , 3 a , b , e , f , 4 a – d ). On the basis of DFT calculations on the X-ray determined structure of 2 b ( [2b-Pd₈]⁴⁺ ) and the optimized models [Pd₈(meso-Ph₂PCH₂P(H)CH₂P(H)CH₂PH₂)₄(CH₃CN)₂]⁴⁺ ( [Pd₈Ph₈]⁴⁺ ) and [Pd₈(meso-H₂PCH₂P(H)CH₂P(H)CH₂PH₂)₄(CH₃CN)₂]⁴⁺ ( [Pd₈H₈]⁴⁺ ), with and without empirically calculating dispersion force stabilization energy (B3LYP-D3, B3LYP), the formation energy between the two Pd₄ fragments is assumed to involve mainly noncovalent interactions (ca. −70 kcal/mol) with four sets of interligand C−H/π interactions and Pd⋅⋅⋅Pd metallophilic one, while electron shared covalent interactions are almost canceled out within the Pd₈ chain. All the compounds isolated are stable in solution and exhibit characteristic absorption at ∼900 nm, which is assignable to a spin allowed HOMO to LUMO transition, and shows temperature dependent intensity change with variable absorption coefficients presumably due to coupling with some thermal vibrations. The structures and electronic states of the Pd₈ chains are found finely tunable by varying the terminal capping ligands. In particular, theoretical calculations elucidated that the HOMO-LUMO energy gap is systematically related to the central Pd−Pd distance (2.7319(6)–2.7575(6) Å) by two ways with neutral ligands L ( 1 , 2 , 3 ) and with anionic ligands X ( 4 ), which are reflected on the NIR absorption energy of 867–954 nm. The isocyanide terminated Pd₈ complexes ( 3 ) further reacted with excess of RNC (6 eq) to afford the Pd₄ complexes, [Pd₄(meso-dpmppm)₂(RNC)₂](BF₄)₂ ( 13 ), and the cyclic voltammograms of 2 a (L=CH₃CN), 3 , and 13 (R=Xyl, Mes, ^tBu, Cy) demonstrated wide range redox behaviors from 2{Pd₄}⁴⁺ to 2{Pd₄}⁰ through 2{Pd₄}²⁺↔{Pd₈}⁴⁺, {Pd₈}³⁺, and {Pd₈}²⁺ strings. The oxidized complexes, [Pd₄(meso-dpmppm)₂(RNC)₃](BF₄)₄ ( 16 ), were characterized by X-ray analyses, and the two-electron reduced chain of [Pd₈(meso-dpmppm)₄](BF₄)₂ ( 7 ) was analyzed by spectroscopic and electrochemical techniques and DFT calculations. Reactions of 2 a with 1 equiv. of aromatic linear bisisocyanide (BI) in CH₂Cl₂ deposited insoluble coordination polymers, {[Pd₈(meso-dpmppm)₄(BI)](BF₄)₄}_n ( 5 ), and interestingly, they were soluble in acetonitrile, ³¹P{¹H} and ¹H DOSY NMR spectra as well as SAXS curves suggesting that the coordination polymers may exist in acetonitrile as dynamically 1D self-assembled coordination polymers comprising ca. 50 units of the Pd₈ rod averaged within the timescale.     

One-pot ligation strategy for atypical ubiquitin chains synthesis by using the trifluoroacetamidomethyl-protected isopeptide-linked Ub (Tfacm-isoUb) unit

Protein chemical synthesis can provide the homogeneous atypical ubiquitin chains that are usually difficult to obtain by other methods. Herein, we report a new one-pot ligation approach for the synthesis of atypical Ub chains based on the Tfacm-protected isoUb building block with operational simplicity and high efficiency. The key intermediate, the Tfacm-protected isoUb building block can be readily prepared by Fmoc SPPS. The practicality and efficiency of the new method is demonstrated by the successful preparation of K11-linked di-Ub.     

A numerical algorithm for pricing electricity derivatives for jump-diffusion processes based on continuous time lattices

We present a numerical algorithm for pricing derivatives on electricity prices. The algorithm is based on approximating the generator of the underlying price process on a lattice of prices, resulting in an approximation of the stochastic process by a continuous time Markov chain. We numerically study the rate of convergence of the algorithm for the case of the Merton jump-diffusion model and apply the algorithm to calculate prices and sensitivities of both European and Bermudan electricity derivatives when the underlying price follows a stochastic process which exhibits both fast mean-reversion and jumps of large magnitude.     

Clar Goblet and Aromaticity Driven Multiradical Nanographenes

The Clar Goblet, the first radical bowtie nanographene proposed by Erich Clar nearly 50 years ago, was recently synthesized. Bowtie nanographenes present quasi-degenerate magnetic ground states, which make them so elusive as unique. A thorough analysis is presented of the spin-state energetics of Clar Goblet and bowtie nanographenes by a battery of existing and novel ab initio procedures ranging from density functional theory to complete active space Hamiltonians. With this, it was proven that π radicals of bowtie nanographenes sit on BP (Benzo[cd]Pyrene) moieties driven by their local aromaticity, a purely chemical concept, which confers global stability to the whole structure. Besides, a novel Pauli energy densities analysis provided a visual intuitive explanation for this preference. These findings allow envisioning that analogous bowtie nanographenes with arbitrary polyradical character are not only feasible at the molecular scale but will share Clar Goblet's peculiar properties.