Theoretical investigation of adsorption of the gabapentin drug on the heteroborospherene

Structural Chemistry - This is an analysis report on the use of density functional theory (DFT) to investigate the potentials of pristine and amino acid–functionalized C4B32 borospherenes in...     

含吡啶的大环席夫碱锰(Ⅱ)配合物:合成、表征及抗菌性质(英文)

在Mn髤模板作用下,2,6-diacetylpyridine(DAP)及合适链状胺化合物通过[1+1]环缩合反应,合成了3个大环席夫碱配合物,并进行了红外、元素分析、质谱及电导率等表征及研究。测得了配合物[MnL1(CH3CN)](ClO4)2的晶体结构,中心离子呈现出稍微扭曲的五角锥配位构型。研究了配合物对S.aureus(ATCC 6633),B.cereus(ATCC 7064),C.xerosis(ATCC 373)(gram-positive bacterial strains),E.coli(PTCC 10009),K.pneuomoniae(MTCC 109),and P.vulgaris(lio)(gram-negative bacterial strains)的抗菌活性。结果显示[MnL3](ClO4)2抗菌活性明显优于[MnL1(CH3CN)](ClO4)2and[MnL2](ClO4)2。在25℃条件下0.1 mol·L-1 KCl溶液中,通过电位计量法测定了化合物的质子化常数。     

Synthesis and characterization of some new Cd(II) and Zn(II) macrocyclic Schiff base complexes derived from cyclocondensation of three new linear aromatic (N4) amines and 2,6-diacetylpyridine. Crystal structure and biological activity studies

Six new Cd(II) and Zn(II) macrocyclic Schiff base complexes from cyclocondensation of 2,6-diacetylpyridine and three different liner aromatic amines have been investigated. The resulting ligands, L¹ and L² are 17- and L³ 18-membered pentaaza macrocycles. The complexes have been characterized by a variety of methods such as IR, elemental analysis, EI-Mass and conductivity measurements and in the case of cadmium complex by ¹H and ¹³C NMR spectroscopy. The crystal structure of [CdL¹(CH₃OH)](ClO₄)₂ has been determined. In this complex, the Cd(II) ion is coordinated to five nitrogen donor atoms of the ligand and one oxygen atom from methanol in a N₅O environment. The geometry around the cadmium can be better described as in a slightly distorted pentagonal-pyramidal. The synthesized compounds have antibacterial activity against the three gram-positive bacteria: S. aureus, B. cereus and C. xerosis, and also against the three gram-negative bacteria: E. coli, K. pneumoniae and P. vulgaris. The results show that the antibacterial activity of cadmium complexes is greater than that of zinc complexes.