A Density Functional Study on the Hydrolysis Process of Non-classical Transplatin（Ⅱ） with Two Same Planar Heterocycle Amines

In the present work, the hydrolysis process of non-classical transplatin（Ⅱ） with two same planar heterocycle amines has been studied using hybrid density functional theory （B3LYP） and IEF-PCM solvation models. Optimizations were performed at the B3LYP level using a combined basis set of （LanL2DZ＋6-31 ＋G（d,p）） with single-point energy evaluations using the B3LYP/6-31 ＋ ＋G（3df,2pd） approach in vacuo and in aqueous solution. For the obtained structures of reactants, intermediates, transition states, and products, both thermodynamic （reaction energies and Gibbs energies） and kinetic （reaction barriers） characteristics were estimated. In comparison with cisplatin, decreased activation energies were obtained. The result implies that the non-classical transplatin with two same planar heterocycle amines increases the equatorial steric effect and lowers reaction barriers, which may assist in designing novel Pt-based anticancer drugs.     

Novel preparation of NaA/carbon nanocomposite thin films with high permeance for CO2/CH4 separation

Novel NaA/carbon nanocomposite thin films were successfully prepared on a porous a-Al2O3 substrate by incorporatingnanosized NaA zeolite into novolak-type phenolic resin.The prepared films were characterized by XRD,SEM and single gaspermeation tests.The NaA zeolite/carbon nanocomposite thin films exhibited that the ideal separation factor of CO2/CH4 was 28.4and the carbon dioxide flux was 3.39*10-7mol/(Pa m2s)at room temperature and under a pressure difference of 100 kPa,whichwas two orders of magnitude higher than that of pure carbon membrane prepared at the same procedures and conditions as those ofcomposite films.From the SEM images,the films were continuous and highly intergrown.Compared with carbon membranes,thethickness of nanocomposite films was drastically decreased,which was helpful to reduce the diffusion resistance and increase theflux of gas permeance.     

Capillary electrophoresis with direct chemiluminescence detection for the analysis of catecholamines in human urine

A rapid and sensitive method for the analysis of three catecholamines by capillary electrophoresis(CE)with directchemiluminescence(CL)detection is described.The detection limits(S/N=3)were 1.3*10-8g/mL for isoprenaline,1.0*10-8g/mL for epinephrine and 2.8*10-8g/mL for dopamine.The proposed method was successfully applied to theanalysis of catecholamines in urine samples of cigarette smokers and nonsmokers.The results showed that there is a close relationbetween the release of dopamine in human body fluids and cigarette smoking/nonsmoking.     

Synthesis and characterization of insulin-5-Fu conjugate,enabling insulin as multi-drug carrier via dendritic approach

To enable insulin as multi-drug carrier, we designed and synthesized dendritic linker molecule bearing three 5-Fluorouracil residues at the branch ends. The new conjugate showed excellent water solubility. The stabilities under different conditions were investigated. The results showed that the conjugate was a potential prodrug to release free 5-Fu.     

Synthesis, Characterization, Spectroscopic Properties of 2-（4-Dimethylaminophenyl）-5-fluoro-6-（morpholin-4-yl）-1H-benzimidazole and its Interaction with Calf Thymus DNA

Benzimidazole compounds have attracted a renewed interest recently owing to theirpotential applications in high-performance composite materials, electronic chemicals,photosensitive materials, and their special potentials in biological and/or medicinalapplication1,2. Typically, aromatic compounds with near planar structures and contain-ing hydrogen-donor groups or groups, which are capable of being protonated, havespecial interactions with DNA via intercalation, hydrogen-bonding, and so on3.Me…     

New conversion of Friendlnder reaction of 3-amino-1H-benzo[f]chromene-2-carbonitriles with cyclohexanone

Two different skeletons of heterocyclic compounds,quinoline and quinazolinone analogs could be obtained by a novel one-pot synthesis from substituted 3-amino-1 H-benzo[f]chromene-2-carbonitrile derivatives and cyclohexanone in DMF in the catalyst of anhydrous zinc chloride under reflux.A plausible mechanism was proposed.     

Synthesis,X-Ray Structure and Characterization of a Triruthenium Cluster Complex Ru_3~Ⅲ(μ_3-O)(μ-CH_3COO)_6(py)_2Cl with Four Steps One-electron Redox Processes

Great attention is currently paid to the synthesis of polynuclear transition metal complexes as well as their photochemical, photophysical, and electrochemical properties. The design of multicomponent systems capable of performing useful light- and/or redox-induced function is of special interest1. The oxo-centered carboxylate-bridge trinuclear ruthenium clusters have been investigated extensively during recent decades because they have remarkable electron-transfer properties, intense visibl…     

Structural Study of Inclusion Complex of Andrographolide with β-Cyclodextrin Prepared under Microwave Irradiation

Andrographolide (Andro) (Figure 1) is a diterpene lactone isolated from Andrographis paniculate Nees1. It has showed several biological activities including analgesic, antipyretic and anti-inflammatory effects2. However, its poor water solubility and unstability towards oxygen restrained its application. In pharmaceutics, b-CD is used to increase solubility and stability3. We have prepared the inclusion compound of Andro/b-CD (Figure 2) under microwave irradiation4. It has been found…     

氢键对新型反铂交联产物影响的研究

在密度泛函B3LYP/6-31G^*水平上,对新型反式噻唑铂抗癌药物形成的DNA交联双功能加合物的结构、能量、光谱性质进行系统的量化表征，计算中Pt²⁺用LanL2DZ赝势基组。详细考察了这些加合物的相对稳定性顺序及其主要的影响因素。研究发现氢键对加合物的几何构型、能量、光谱性质均有很大的影响。其它影响因素如溶剂化，熵和电子离域能对相对能级的改变也起了一定的作用。本文采用化合物整体稳定化能，两个嘌呤碱基与[Pt-(NH₃)thiazole]²⁺ 部分的相互作用能来研究不同部分间的相互作用及其对加合物的相对稳定性的影响。最后，为了确定最有可能含有这类反铂药物的DNA双螺旋的结构，本文给出加合物的H(8) 的化学位移和两对GG鳌合物的园二色光谱图作为参考。     

Novel Stereoselective Synthesis of (E)-a,b-Unsaturated Esters by the Tandem Reaction of Deprotonation-Oxidation-Wittig Reaction from Phosphonium and Arsonium Salt

Wittigreactionisoneofthemostimportantmethodfortheformationofcarbon-carbondoublebondandhasbeenwidelyusedinthesynthesisofnaturalproducts1,2.Recentlyitwasfoundthatalcoholscanundergoinsituoxidation-Wittigreactionwithphosponiumylidestogivecorrespondingolefinationproducts,whichhasgreatpotentialutilitiesinorganicsynthesis3.Tosimplifytheprocedureofthereactionfurther,weconsideredtocombinethedeprotonationofylide,oxidationofalcoholandWittigreactionintoonetandemreaction.Weutilizedphosphoniumorarsoniumsal…