中药炮制机理研究的思路与方法——以咖啡豆的烘焙原理研究为例

中药炮制是中药学的特色和优势,也是最具我国自主知识产权的学科之一.中药炮制研究的核心是阐明中药炮制机理,这也是制约中药现代化的关键节点.目前大部分中药的炮制机理尚不明确,有待进行系统深入的研究.咖啡豆需要烘培后才可以制成饮料,这个高温烘培过程类似于中药的炮制过程.近年来,国内外专家对咖啡豆高温烘培过程化学成分变化及其机理进行了深入研究,各种新方法和新技术得到广泛应用,取得了系列研究成果,这些研究成果为中药炮制机理研究提供了多种新思路和新方法,也为中药炮制机理的研究和阐明提供了重要示范.     

Synthesis, structure and luminescence properties of metal-organic frameworks based on benzo-bis(imidazole)

Metal-organic frameworks(MOFs)constructed from conjugated organic ligands are candidates for hybrid photoactive materials with potential applications.Compared to that from the ligands only,the intensity and wavelength of the luminescence could be tuned after they were incorporated in extended framework.In this report,by using an organic ligand with azolate moiety,benzo-bis(imidazole)(H2BBI),we synthesized two new MOF structures.Framework 1([Co(H2BBI)(DMSO)2Cl2]n,DMSO=dimethyl sulfoxide),constructed from tetrahedral Co(II)and H2BBI,exhibits zigzag 1D structure.Meanwhile,framework 2([Cu2(H2BBI)3(DMSO)6(NO3)4]n),a layered structure with hcb topology,was assembled from tetragonal pyramidal Cu(II)and H2BBI.Furthermore,2 exhibits strong luminescence emission(ex=280 nm).A blue shift of 40 nm(from 359 nm to 319 nm)was observed in framework 2 compared to the free ligand,which could be explained by the ligand-to-metal charge transfer in the network.     

Photofragment translational spectroscopy at 304 nm from C-H symmetric stretch excited CH3I [v 1 = 1]

The 304 nm photodissociation of the C-H symmetric stretch excited CH3I[v1=1,v2=0](v1 denotes the C-H symmetric stretch mode,and v2 denotes the umbrella mode)is studied with our simple photofragment translational spectrometer.An IR laser is used to excite the ground state CH3I[0,0]to the C-H symmetric stretch excited CH3I[1,0].With IR laser OFF and ON,the fractions of photofragments CH3(ν1,ν2)from the 304 nm photodissociation of CH3I[1,0]have been determined through the photofragment translational spectra(PTS)from measuring I and I*and also through the PTS from measuring CH3(0,0)(1,0)(0,1)and(1,1).The experimental results show that the C-H symmetric stretch vibration(v1=1)in parent molecules is about 66%retained in the photofragments in the I channel,but only 24%in the I*channel.The populations of photofragments CH3(0,2)and(0,3)are higher than CH3(0,0)and(0,1),showing strong inverted population both in I and I*channels.     

碳酸氢钠浸提-连续流动分析法测定园艺植物堆肥中的有效磷

为了解堆肥中有效磷供应状况,采用碳酸氢钠浸提-连续流动分析法测定园艺植物堆肥中有效磷的含量。通过对样品前处理条件、仪器参数进行优化,确定了提取时间45 min,料液比1∶60,吸样时间35 s,清洗时间60 s,去离子水作为基线液。标准曲线的线性关系良好,相关系数大于0.999,精密度好;检出限为0.008 mg/L;与手动法相比,连续流动分析法自动化程度高,而且对环境和人均友好。     

夸克胶子混合真空凝聚和Dyson-Schwinger方程

基于夸克传播子的Dyson-Schwinger方程，计算了夸克胶子混合真空凝聚和夸克真空凝聚. 这些凝聚不仅联系着夸克在真空态中的虚度，而且也表征了真空中夸克分布的空间宽度. 真空凝聚的存在直接反映着QCD真空的非微扰结构. 计算表明：上夸克与下夸克的虚度为λ²_u,d=0.7GeV²，奇异夸克的虚度为λ²_s=1.6GeV². 这些结果与许多用完全不同的方法得到的结果一致.     

Adsorptive desulfurization on a heteroatoms Y zeolite prepared by secondary synthesis

Gallium atoms have been introduced into the framework of Y zeolite by treating the zeolite with an aqueous solution of ammonium hexafluoro gallate.Desulfurization of various model fuels containing about 500 μg/g sulfur has been studied over the synthesized Y zeolite(GaAlY).The sulfur adsorption capacity is 7.0,17.4,14.5,16.9,6.9 and 5.8 mg(S)/g adsorbent for thiophene,tetrahydrothiophene(THT),4,6-dimethyldibenzothiophene(4,6-DMDBT),dibenzophiophene(DBT),benzothiophene(BT) and 4-methyldibenzothiophene(4-MDBT...     

Structures and properties of novel 5,15-di[4-(5-acetylsulfanylpentyloxy)phenyl] porphyrin derivatives: Density functional theory calculations

Density functional theory (DFT) calculations have been carried out in order to compare the molecular structures, atomic charges, molecular orbitals, electronic absorption spectra, and infrared (IR) spectra of the metal-free 5,15 -di[4-(5-acetylsulfanylpentyloxy) phenyl]porphyrin H₂[DPP(OC₅H₁₀SCOCH₃)₂] (1) (DPP = 5,15-diphenylporphyrin) and its zinc complex Zn[DPP(OC₅H₁₀SCOCH₃)₂] (2), which exhibit novel structures with two 5-acetylsulfanylpentyloxy side chains at the para-positions of opposite meso-attached phenyl groups. The calculated molecular structure and electronic absorption and IR spectra of 1 and 2 are consistent with the experimental results. The influences of meso-substitution, polar solvents, and central metal substitution on the structure and properties of porphyrin derivatives have been investigated by comparing the corresponding data for 1 and 2 with the help of data for the unsubstituted porphyrin derivatives, namely the metal-free porphyrin H₂Por (3) and the porphyrinato-zinc compound (4). The identities of the main transitions in the electronic absorption spectra of 1 and 2 are assigned and the vibrational modes in their IR spectra are identified with the assistance of animated pictures produced based on normal coordinates. The theoretical work presented here will be helpful in increasing our understanding of the structure and spectroscopic properties, as well as substituent and solvent effects, for these novel porphyrin compounds.     

Preparation and surface modification of silicon nanowires under normal conditions

Preparation and surface modification of silicon nanowires (SiNWs) grown by the metal catalyzed solution method under normal conditions (room temperature, 1 atm) had been studied in this paper. Firstly, SiNWs using a simple solution method via electroless metal deposition (EMD) of silver under room temperature, standard pressure had been prepared. The influence of the growth parameters such as solution concentration, etching time on the SiNWs formation had been studied. Secondly, the surface modification of SiNWs with platinum and copper had been investigated. The results indicated that the SiNWs modified with Pt and Cu showed different surface morphologies. Pt modification on SiNWs presented in the form of nanoparticles, whereas Cu modification in the form of membrane. Therefore, the Pt modified SiNWs have more vast surface-to-bulk ratio than the unmodified ones, and SiNWs modified with copper nanoparticles will lead to the smaller surface-to-bulk ratio. So the platinum-modified SiNWs have a promising application in sensors’ field.     

Synthesis of Li<Subscript>4</Subscript>Ti<Subscript>5</Subscript>O<Subscript>12</Subscript>-reduced graphene oxide composite and its application for hybrid supercapacitors

We describe in this paper the synthesis and the characterization of Li₄Ti₅O₁₂-reduced graphene oxide (LTO-RGO) composite and demonstrate their use as hybrid supercapacitor, which is consist of an LTO negative electrode and activate carbon (AC) positive electrode. The LTO-RGO composites were synthesized using a simple, one-step process, in which lithium sources and titanium sources were dissolved in a graphene oxide (GO) suspension and then thermal treated in N₂. The lithium-ion battery with LTO-RGO composite anode electrode revealed higher discharge capacity (167 mAh g^?1 at 0.2 C) and better capacity retention (67%) than the one with pure LTO. Meanwhile, compared with the AC//LTO supercapacitor, the AC//LTO-RGO hybrid supercapacitor exhibits higher energy density and power density. Results show that the LTO-RGO composite is a very promising anode material for hybrid supercapacitor.     

两个N-己酰基水杨酰肼合镍(Ⅱ)配合物的合成、结构及抗菌活性的研究

The two trinuclear nickel（Ⅱ） complexes, Ni3（C13H15N2O3）2（C5H5N）4 （1） and Ni3（C13H15N2O3）2（C5H5N）2- （C3H7NO）2 （2）, were prepared by the reaction of Ni（OAc）2·4H2O with N-hexanoylsalicylhydrazide. The crystal structures of complexes were determined by X-ray diffraction analysis. Complex 1 takes triclinic symmetry with space group P-1 and cell dimensions of a=0.92377（2） nm, b= 1.08786（6） nm, c= 1.29391（3） nm, α=76.395（4）°, β=78.418（3）°, γ=67.378（4）°, V= 1.15772（7） nm^3, Z= 1,μ= 12.63 cm^-1. Complex 2 belongs to triclinic system and P2（1） space group and the crystallographic data： a= 1.4889（2） nm, b= 1.0389（1） nm, c= 1.4994（2） nm, β= 96.174（4）°, V=2.3058（5） nm^3, Z=2,μ= 12.70 cm^-1. The structures of the two molecules are similar. The three nickel atoms in each molecule of the two title complexes arrange in a strictly linear structure. The central nickel atom of the molecule adopts octahedral configuration, while the two nickel atoms on the two sides adopt square-planar configuration in each molecule. But the central nickel atoms of the two complexes have different axial ligands, which cause a slight difference in the bond distances of the octahedron. The antibacterial activity of compound 1 against seven common bacteria was investigated.