Enantiomeric Cyclic Peptides with Different Caco‐2 Permeability Suggest Carrier‐Mediated Transport

Recently, oral absorption of cyclic hexapeptides was improved by N‐methylation of their backbone amides. However, the number and position of N‐methylations or of solvent exposed NHs did not correlate to intestinal permeability, measured in a Caco‐2 model. In this study, we investigate enantiomeric pairs of three polar and two lipophilic peptides to demonstrate the participation of carrier‐mediated transporters. As expected, all the enantiomeric peptides exhibited identical lipophilicity (logD_7.4) and passive transcellular permeability determined by the parallel artificial membrane permeability assay (PAMPA). However, the enantiomeric polar peptides exhibited different Caco‐2 permeability (P_app) in both directions a–b and b–a. The same trend was observed for one of the lipophilic peptide, whereas the second lipophilic enantiomer pair showed identical Caco‐2 permeability (within the errors). These findings provide the first evidence for the involvement of carrier‐mediated transport for peptides, especially for those of polar nature.     

Computational and dynamic NMR investigation of 2,2-dimesityl-1,1,1,3,3,3-hexamethyltrisilane

The structure and rotational barrier for the mesityl-silicon bond of 2,2-dimesityl-1,1,1,3,3,3-hexamethyltrisilane have been investigated by ¹H- and ¹³C-variable temperature nuclear magnetic resonance (NMR) as well as by density functional theory structural calculations. The calculations show that the lowest energy structure has C₂ symmetry with nonequivalent ortho methyl groups, consistent with the crystal structure and solution NMR. The nonequivalent ortho methyl groups exchange through a C_s transition state with a calculated relative free energy of 11.0 kcal mol⁻¹. The barrier for this rotation found by dynamic NMR is 13.4 ± 0.2 kcal mol⁻¹ at 298 K.     

Banach空间中优化问题的最优性条件

首先在Contingent切锥意义下界定了Banach空间中非空集合的伪切锥和伪凸性的概念，并讨论了相应的性质，然后针对可微优化问题，在广义凸性假设下，建立了最优性条件。     

超线性奇异边值问题解的全局结构

本文讨论一类具有奇异性的超线性边值问题.我们证明,解集存在无界连通分支.作为推论,我们在一定程度上改进了文[1]的主要结果,去掉了其主要条件.     

On the existence of positive solutions for a class of singular boundary value problems

In this paper, by the use of a fixed point theorem, many new necessary and sufficient conditions for the existence of positive solutions in C[0,1]∩C¹[0,1]∩C²(0,1) or C[0,1]∩C²(0,1) are presented for singular superlinear and sublinear second-order boundary value problems. Singularities at t=0, t=1 will be discussed.     

Existence of two solutions of m-point boundary value problem for second order dynamic equations on time scales

In this paper, by means of a new twin fixed-point theorem in a cone, the existence of at least two positive solutions of m-point boundary value problem for second order dynamic equations on time scales is considered.     

Protein Conformation of a Lattice Model Using Tabu Search

We apply tabu search techniques to the problem of determining the optimal configuration of a chain of protein sequences on a cubic lattice. The problem under study is difficult to solve because of the large number of possible conformations and enormous amount of computations required. Tabu search is an iterative heuristic procedure which has been shown to be a remarkably effective method for solving combinatorial optimization problems. In this paper, an algorithm is designed for the cubic lattice model using tabu search. The algorithm has been tested on a chain of 27 monomers. Computational results show that our method outperforms previously reported approaches for the same model.     

一类混合单调算子的不动点定理及其应用

本文对一类重要的混合单调算子证明了不动点的存在、唯一与逼近定理，并应用于研究动态规划中泛函方程的正解问题．     

具p-Laplacian算子型奇异边值问题的正解

考虑一类p-Laplacian算子型泛函微分方程的奇异边值问题,利用锥不动点定理,得到了其正解及多个正解存在的充分条件．