A Novel Co(II) Metal–Organic Framework Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-oxide: Synthesis,Crystal Structure and Thermal Stability

Abstract  

A novel metal–organic framework based on 6-methylpyridine-2,4-dicarboxylic acid N-oxide (MPDCO) ligand, [Co(MPDCO)(bix)_0.5(H₂O)₂] _n (bix = 1,4-bis(imidazol-1-ylmethyl)-benzene), has been prepared and structurally characterized. Single crystal X-ray analysis shows that it crystallizes in the monoclinic space group of P2₁/n with four independent lattice parameters a = 10.269(2) ?, b = 10.462(2) ?, c = 15.875(4) ?, and β = 107.657(4)°, and it has four independent molecules in the unit cell (Z = 4). A one-dimensional (1-D) helical chain was formed through the MPDCO spacer and Co²⁺ centers along the a-axis. Then, these 1-D chains were further interconnected by the bidentate ligand bix to afford an infinite puckered 2-D herringbone framework with (6,3) topology. And a 3-D supramolecular network was formed through the strong intermolecular hydrogen bonds.     

On Weak Solutions of a Class of Variational Inequalities of Parabolic Type7

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New reactivities of deltaline analogs: an efficient O-demethylation at C-1 and an unusual extrusion of the C-14 atom

O-Demethylation at C-1 in the C₁₉-diterpenoid alkaloids is very challenging. In this paper, it was firstly observed that 10-OH group in deltaline (1) is a determining factor for the O-demethylation reaction. After removal of this hydroxyl group, 1-O-methyl group in the corresponding deltaline analogs can be readily removed by treatment with HBr–HOAc. Meanwhile, the C-14 atom in bromides 18 or 20 can be extruded under basic condition probably via a sequence, including Grob fragmentation, aerobic oxidation, deformylation, and S_N2 nucleophilic substitution, to give enone 21 (70%) and oxetane 22 (14%). The structure of compound 22 was confirmed by X-ray crystallographic analysis of its derivative 21.     

Discovering Sudan IV in Salty Eggs with LC–TOF-MS

This study evaluated the screening of Sudan dyes in salty egg using liquid chromatography/time-of-flight mass spectrometry (LC–TOF-MS). With this technology, accurate mass measurements were made to generate elemental compositions of ions and to provide complementary structural information. This approach is useful for the elucidation of organic pollutants at trace levels in complex food extracts and in the present study salty egg samples were analyzed for the presence of Sudan IV. TOF accurate mass elemental composition data of Sudan IV were found to be crucial for structural elucidation which was applied to the investigation of nine salty egg samples.

     

Trichocarpinine,a Novel Hetidine–Hetisine Type Bisditerpenoid Alkaloid from Aconitum tanguticum var. trichocarpum

Trichocarpinine ( 1 ), the first hetidine–hetisine type bisditerpenoid alkaloid, was isolated from the whole herbs of Aconitum tanguticum var. trichocarpum. Its structure was determined by a combination of spectroscopic techniques, including HR‐ESI‐MS and 1D‐ and 2D‐NMR experiments. Its plausible biogenetic pathway was proposed as well (Scheme).     

Why calcium inhibits magnesium-dependent enzyme phosphoserine phosphatase? A theoretical study

Mechanisms for the formation of the Schiff base from acetaldehyde and butylamine, glycine and phosphatidylethanolamine based on Dmol3/DFT calculations were realized. For the case of phosphatidylethanolamine, calculations were done under periodic boundary conditions, in an amine-phospholipid monolayer model with two molecules of phosphatidylethanolamine by cell. All models contained explicit aqueous solvent. In the three cases, a neutral amino group is used to model the nucleophilic attack on the carbonyl group of acetaldehyde, and water molecules form hydrogen bond networks. These networks were involved in the reactions by performing as proton-transfer carriers, important in some steps of reactions, and stabilizing reaction intermediates. In all the studied reactions, they take place in two steps, namely: (1) formation of a carbinolamine and (2) its dehydration to the Schiff base, being the dehydration the rate-determining step of the process, consistent with available experimental evidence for similar reactions. The main difference between the studied reactions is found in the value for relative free energy for the intermediates and transition states in the second step; these values are lower in the cases of glycine and phosphatidylethanolamine in comparison with butylamine, due the influence of their molecular environments. Based on the results, the aminophospholipid surface environment and carboxylic group of glycine may boost Schiff base formation via a neighboring catalyst effect.     

基于多目标最优化混合按订单生产和提前生产策略库存模型算法

考虑了包含多阶段和多家零售商在内的混合按订单生产(Produce-to-Order)和提前生产(Produce-in-Advance)策略库存模型.将这一模型推广至多种产品情况下,当需求为正态分布时,将这一问题转化为一类多目标约束最优化问题,并给出两种算法来解决这一问题.