NMR AND DFT STUDY OF Co-C BOND ACTIVATION MECHANISM IN VITAMIN B_(12) COMPOUNDS

This report focuses on a theoretical study of the cobalt-cabon bond activation mechanism in Vitamin B12, its co enzyme complexes, and model compounds such as cobalamins (Cbl), cobaloximes and cobalt porphyrins. In particular, emphasis is placed on the nucleotide loop and its role in the base on and base off mechanism.     

Learning Theory Estimates via Integral Operators and Their Approximations

The regression problem in learning theory is investigated with least square Tikhonov regularization schemes in reproducing kernel Hilbert spaces (RKHS). We follow our previous work and apply the sampling operator to the error analysis in both the RKHS norm and the L² norm. The tool for estimating the sample error is a Bennet inequality for random variables with values in Hilbert spaces. By taking the Hilbert space to be the one consisting of Hilbert-Schmidt operators in the RKHS, we improve the error bounds in the L² metric, motivated by an idea of Caponnetto and de Vito. The error bounds we derive in the RKHS norm, together with a Tsybakov function we discuss here, yield interesting applications to the error analysis of the (binary) classification problem, since the RKHS metric controls the one for the uniform convergence.     

High-performance liquid chromatographic determination of morphine and its 3- and 6-glucuronide metabolites: improvements to the method and application to stability studies

Improvements to previously reported methods for the determination of morphine, morphine-3-glucuronide (M3G) and morphine-6-glucuronide (M6G) in human plasma are described. The improved methods involve the use of a solid-phase extraction cartridge and a chromatographic system which uses paired-ion reversed-phase high-performance liquid chromatography with a radially compressed column. Only one cartridge is used to prepare each sample for chromatography and each cartridge may be used for at least fourteen 1-ml plasma samples. The recovery is greater than 85%. The improvements to the method of sample pretreatment and in the chromatographic conditions have allowed determination of morphine, M3G and M6G in human plasma down to 13.3 nmol/l (coefficient of variation = 9.3%), 108 nmol/l (6.6%) and 41 nmol/l (6.7%), respectively, using ultraviolet detection alone. It was shown that all three compounds were stable in plasma for up to 101 weeks when stored at -20 degrees C.     

F+H2→HF+H反应的全量子态分辨的散射动力学研究

利用高灵敏度的氢原子里德堡飞渡时间谱方法研究了 F H_2→HF H 反应碰撞能在5.02kJ/mol 下的交叉分子束反应态态散射动力学.所有在时间飞渡谱中被观测到的谱峰可以归属为 HF 产物的振转态结构.还观测到了明显的 HF(v’=3)前向散射,以及少许的 HF(v’=2)前向散射.     

Self-assembly of a linear mesoscale tetramer with electrical connectivity

Capillary interaction-based self-assembly of block-shaped mesoscale components into an electrically interconnected 1-D tetramer is reported. Low melting point solder droplets, selectively patterned on the faces of the blocks, were employed to drive the sequential alignment, registration, linking and electrical interconnection of each block. The solder patterns were designed so that successful assembly would only occur when the solder patterns on one block face were correctly aligned with those on the face of an adjacent block. For assembly, the blocks were agitated in a flask containing KBr solution. At 60 °C the solder was molten, and collisions between blocks enabled the solder menisci to easily interact. To minimize interfacial free energy, the menisci coalesced and quickly drove the interacting blocks to form a stable, registered and aligned assembly. When agitation was terminated and the solution cooled, the self-aligned, linear tetrameric arrangement of blocks was permanently captured by solder solidification, a process that provided good mechanical bonding and electrical interconnection between each block. PACS 81.16.Dn; 68.03.Cd; 85.40.-e     

Modeling Language Evolution

We describe a model for the evolution of the languages used by the agents of a society. Our main result proves convergence of these languages to a common one under certain conditions. A few special cases are elaborated in more depth.     

Lattice path combinatorics and asymptotics of multiplicities of weights in tensor powers

We give asymptotic formulas for the multiplicities of weights and irreducible summands in high-tensor powers V_λ^⊗N of an irreducible representation V_λ of a compact connected Lie group G. The weights are allowed to depend on N, and we obtain several regimes of pointwise asymptotics, ranging from a central limit region to a large deviations region. We use a complex steepest descent method that applies to general asymptotic counting problems for lattice paths with steps in a convex polytope.