芳亚甲基丙二腈、芳亚甲基氰乙酰胺的固相合成

芳醛和丙二腈、氰乙酰胺在NH4Ac催化下经固相反应高产率的得到芳亚甲基丙 二腈和芳亚甲基氰乙酰胺。     

SYNTHESIS OF THE NOVEL CHIRAL POLYMERS WITH MULTIDENTATE LIGAND AND RESOLUTION OF DL-AMINO ACIDS

A new way for synthesizing styrenic type of chiral resins grafting to multidentate ligand has been found. The synthetic scheme is proved to be practical by means of elemental anaysis, IR spectra and metal adsorbility. The resolving power of the new chiral ligand resins coordinated with copper (Ⅱ) as stationary phases has been discussed based on HPLC, and some points of view about the compositions of mobil phase and mechanism of resolution are presented.     

微波辅助萃取-气相色谱-质谱法测定大气可吸入颗粒物中痕量多环芳烃

建立了微波辅助萃取－气相色谱－质谱联用测定大气可吸入颗粒物中痕量多环芳烃（PAHs）的分析方法，优化了萃取时间、溶剂用量、微波辐射功率等微波萃取条件，并与超声波萃取方法进行了对照研究。结果表明：除了苊、芴外，微波萃取方法的回收率在85％－130％之间；方法的检出限在0.002-0.016μg/m^3之间。通过实际样品中PAHs的分析表明，该法快速、溶剂用量小，满足痕量分析的要求。     

四元配合物[Nd(C_4H_3OCOO)_2·NO_3·C_(10)H_8N_2]_2的合成与晶体结构

稀土羧酸配合物在萃取分离、杀菌、催化和发光材料等方面有广泛的应用[1]。将氮杂环双齿配位体引入到这类配合物中可增强配合物的共轭作用,提高稳定性并增强其杀菌能力和发光性质[2]。虽然氮杂环双齿配位体邻菲咯啉的稀土羧酸配合物报道较多,但含2,2′联吡啶配位的稀土羧酸配合物的研究相对较少,尤其是含2,2′联吡啶的四元稀土羧酸混配配合物的研究更为少见[3]。2呋喃甲酸是糠醛在人体中的代谢产物,可做为防腐剂、熏蒸剂等,本文报道[Nd(C4H3OCOO)2·NO3·C10H8N2]2配合物的合成和单晶X射线衍射分析结果。2呋喃甲酸(分析纯)、2,2′联吡…     

Ternary complexes of substituted catechols and catecholamines

Stability constants of the ternary complexes [CuAL] whereA = 5-Nitro-1,10-phenanthroline, bis(2-pyridyl) ketone (DPK) orbis(2-pyridyl)amine (DPA) andL is the dianion of catechol, tiron, protocatechic acid, pyrogallol, 1,8-dihydroxynaphthalene, catecholaldehyde, 2,3-dihydroxynaphthalene, dopamine or adrenaline have been determined by potentiometric titration in dioxane water (1:1 v/v) medium using a SCOGS computer programme. The observed trend of stability is explained on the basis of the nature of substitution over the ligands, chelate ring size and also the composition of mixed solvent in case of DPK. Structural changes in DPK have also been discussed as a function of pH, composition of medium and coordinating mode of the secondary ligand in the ternary complexes.     

Molecular modeling study of the differential ligand–receptor interaction at the μ, δ and κ opioid receptors

3D models of the opioid receptors , and were constructed using BUNDLE, an in-house program to build de novo models of G-protein coupled receptors at the atomic level. Once the three opioid receptors were constructed and before any energy refinement, models were assessed for their compatibility with the results available from point-site mutations carried out on these receptors. In a subsequent step, three selective antagonists to each of three receptors (naltrindole, naltrexone and nor-binaltorphamine) were docked onto each of the three receptors and subsequently energy minimized. The nine resulting complexes were checked for their ability to explain known results of structure-activity studies. Once the models were validated, analysis of the distances between different residues of the receptors and the ligands were computed. This analysis permitted us to identify key residues tentatively involved in direct interaction with the ligand.     

Bridged bis-pyridinylimino dinickel(II) complexes: Syntheses, characterization, ethylene oligomerization and polymerization

A series of bridged bis(pyridinylimino) ligands were efficiently synthesized through the condensation reaction of 4,4′-methylene-bis(2,6-disubstituted aniline) with 2-pyridinecarboxaldehyde or 2-benzoylpyridine. They reacted with (DME)NiBr₂ to form dinuclear Ni(II) complexes. All resultant compounds were characterized by elemental analysis, IR spectra as well as the single-crystal X-ray diffraction to confirm the structures of ligands and complexes. Activated with methylaluminoxane (MAO), these nickel complexes showed considerably good activities for ethylene oligomerization and polymerization. Their catalytic activities and the properties of PEs obtained were depended on the arched environment of ligand and reaction conditions.     

Synthesis and Crystal Structure of 1,4-Bis(2-hydroxymethylphenyl)-1,4-dioxabutane

1 INTRODUCTION Macrocyclic ligands and their metal complexes have received much attention due to their applications in ion transport, ion separation and as models in biomimic researches[1~7]. The synthetic methods of macrocyclic ligands and their metal complexes are mainly divided into three kinds[8]. The first one is synthesizing free ligand, then forming the metal complexes; the second is template synthesis; and the third is synthesizing the end-off or side-off precursor ligand, then c…     

{[Gd(DMF)_3(DMSO)(H_2O)_3](μ-CN)[Fe(CN)_5]}·2H_2O的合成,结构表征和磁性(英文)

0IntroductionThefirstmolecule鄄basedmagnetswerereportedin1986[1].Duringthelasttwodecades,moreandmoreattentionhasbeenpaidtothesynthesisofmolecule鄄basedmagnets,especiallytoPrussianBlueanalogu鄄es[2].TheoldPrussianBlueanalogueshavebeenbroughtuptodateduetoth…     

Semiempirical calculation of electronic spectra of organic compounds by using the improved method of new-γ electron repulsion integral. Part 2. Polycyclic aromatic hydrocarbons (PAHs)

Excitation energies of 123 polycyclic aromatic hydrocarbons were calculated by incorporating the improved method of new-γ for the two-center electron repulsion integral into two semiempirical molecular orbital methods (CNDO/S and INDO/S). This variable method well reproduced experimental excitation energies of them. The average error of the improvement is about 0.162 (CNDO/S) or 0.237 eV (INDO/S) though the average error without the improvement is about 0.541 (CNDO/S) or 0.536 eV (INDO/S). The improvement was useful for the calculations of other organic compounds including hetero atoms, such as organic dye.