FTIR and WAXS analysis of periodate oxycellulose: Evidence for a cluster mechanism of oxidation

Cellulose paper (Whatman no.1, chromatographic grade) was oxidised with 0.1 M sodium metaperiodate at different oxidation levels (0–11 days at room temperature), and analysed with FTIR before and after chemical treatments (reduction, further oxidation, alkaline hydrolysis). The deconvolution of infrared data allowed us to verify that periodate oxidises cellulose in isolated domains, leading to the decrease of crystallinity, in agreement with the results of wide angle X-ray scattering (WAXS). In particular, the alkaline hydrolysis (β-alkoxy fragmentation) followed by mild acid treatment removed the oxidised groups and recovered most of the crystallinity of cellulose, as determined by the FTIR crystallinity index.     

键连接性指数的建构及其在有机体系中的应用研究

以化学键为基础建构了键连接性指数及分子键连接性指数，该指数同时考虑顶 点原子的化学特征及键的性质．对于任意化学键，键连接性指数Si＝1+△I/R·[（ Z1-h1)m2/n1+(Z2-h2)m1/n2]，分子键连接性指数S为∑i=1^m√Si或∑i=1^m1/√ Si，其中，Z1，Z2为化学键键连原子的价电子数；n1，n2成键原子的价层最高主量 子数；m1，m2为成键原子的氧化数；h1，h2为与成键原子相连的氢原子个数；△I 为成键原子的电负性差(△I≥0)；R为化学键的相对键长．与以顶点为基础的价连 接性指数不同，该指数不仅能方便而有效地应用于饱和碳氢体系亦能有效地应用于 含多重键的不饱和体系及含杂原子的有机体系．研究了饱和碳氢体系标准生成焓， 不饱和碳氢体系和酮、醚、酯体系在水中的溶解度和辛醇/水分配系数，卤代甲烷 体系的标准生成焓，卤代苯体系辛醇/水分配系数，均取得比较满意的结果。     

Hosoya polynomials of armchair open‐ended nanotubes

For a connected graph G we denote by d(G,k) the number of vertex pairs at distance k. The Hosoya polynomial of G is H(G,x) = ∑_k≥0 d(G,k)x^k. In this paper, analytical formulae for calculating the polynomials of armchair open‐ended nanotubes are given. Furthermore, the Wiener index, derived from the first derivative of the Hosoya polynomial in x = 1, and the hyper‐Wiener index, from one‐half of the second derivative of the Hosoya polynomial multiplied by x in x = 1, can be calculated. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Quantitative validation of different protein precipitation methods in proteome analysis of blood platelets

For the preparation of proteins for proteome analysis, precipitation is frequently used to concentrate proteins and to remove interfering compounds. Various methods for protein precipitation are applied, which rely on different chemical principles. This study compares the changes in the protein composition of human blood platelet extracts after precipitation with ethanol (EtOH) or trichloroacetic acid (TCA). Both methods yielded the same amount of proteins from the platelet preparations. However, the EtOH-precipitated samples had to be dialyzed because of the considerable salt content. To characterize single platelet proteins, samples were analyzed by two-dimensional fluorescence differential gel electrophoresis. More than 90% of all the spots were equally present in the EtOH- and TCA-precipitated samples. However, both precipitation methods showed a smaller correlation with nonprecipitated samples (EtOH 74.9%, TCA 79.2%). Several proteins were either reduced or relatively enriched in the precipitated samples. The proteins varied randomly in molecular weight and isoelectric point. This study shows that protein precipitation leads to specific changes in the protein composition of proteomics samples. This depends more on the specific structure of the protein than on the precipitating agent used in the experiment.     

过渡金属乙酰丙酮螯合物的体积排除色谱研究

用定量体积排除色谱方法研究了过渡金属Fe(Ⅲ)、Co(Ⅲ)、Cu(Ⅱ)、Ni(Ⅱ)的乙酰丙酮螯合物在四氢呋喃溶液中的加合和缔合行为。在溶液中乙酰丙酮钴(Ⅲ)以单个螯合物分子的形式存在,乙酰丙酮铜(Ⅱ)和乙酰丙酮铁(Ⅲ)与溶剂加合生成加合物,乙酰丙酮铁(Ⅲ)除加合物外还存在缔合度为2-10的多分散缔合物,乙酰丙酮镍(Ⅱ)水合物在四氢呋喃中产生了加合交换作用,同时存在缔合度为6左右的缔合物。色谱数据给出了螯合物、加合物及缔合物     

Resistance distance and Laplacian spectrum

The resistance distance r _ij between two vertices v _i and v _j of a (connected, molecular) graph G is equal to the resistance between the respective two points of an electrical network, constructed so as to correspond to G, such that the resistance of any two adjacent points is unity. We show how the matrix elements r _ij can be expressed in terms of the Laplacian eigenvalues and eigenvectors of G. In addition, we determine certain properties of the resistance matrix R=||r _ij ||. AcknowledgementsThis research was supported by the Natural Science Foundation of China and Fujian Province, and by the Ministry of Sciences, Technologies and Development of Serbia, within Project no. 1389. The authors thank Douglas J. Klein (Galveston) for useful comments.     

Elektronenlokalisierung im Grundzustand und in angeregten Zuständen Pars-Orbital-Methode, 12. Mitt

UsingGleason's theorem the pars orbital concept is developed for excited states of conjugated systems described by CI-methods. A significance index is introduced to evaluate different patterns of fragmentation. The usefulness of this approach is illustrated for butadiene, biphenyl, naphthalene, and azulene.

11. Mitt.:H. Karpf, O. E. Polansky undM. Zander, Tetrahedron Lett.1978, 2069.     

Preparation of poly(N‐ethyl methacrylamide) particles via an emulsion/precipitation process: The role of the crosslinker

Monodisperse, thermosensitive poly(N‐ethyl methacrylamide) microgel particles were prepared by the batch precipitation/emulsion polymerization of water‐soluble N‐ethyl methacrylamide and the hydrophobic crosslinker ethylene glycol dimethacrylate initiated by potassium persulfate. Particular attention was paid to the effect of the crosslinker agent on the polymerization process (kinetics, conversion, and water‐soluble oligomer content). Particles were characterized in terms of their size distribution and swelling capacity. A polymerization mechanism for the water‐soluble monomer and non‐water‐soluble crosslinker is proposed and discussed on the basis of a combination of both emulsion and precipitation polymerization processes. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 1808–1817, 2002     

Estimation of diffusion coefficient of Ba++ ions in silica gel from periodic precipitation of BaMoO4

Formation of Liesegang rings on the growth of BaMoO₄ crystals in silica gel by single diffusion is discussed. The rhythmic precipitation is found to be influenced profoundly by (a) the molarity of inner and outerelectrolytes (b) the age of gel and (c) the pH of the gel medium. The time law, spacing law and the law relating diffusion depth and width are verified. A method to estimate the diffusion coefficient of the outer electrolyte in the gel medium is developed and calculated for Ba⁺⁺ions.