On general sum-connectivity index

We report some properties of the reverse degree distance of a connected (molecular) graph, and, in particular, its relationship with the first Zagreb index and Wiener index. We also show that the reverse degree distance satisfies the basic requirement for a branching index.     

Inferring Minimal Feasible Metabolic Networks of <Emphasis Type=Italic>Escherichia coli</Emphasis>

Since the organism contains many redundant reactions, the minimal feasible metabolic network that contains the basic growth function is not the collection of reactions that associate the essential genes. To identify minimal metabolic reaction set is a challenging work in theoretical approach. A new method is presented here to identify the smallest required reaction set of growth-sustaining metabolic networks. The content and number of the minimal reactions for growth are variable in different random processes. Though the different carbon sources also vary the content of the reactions in the minimal metabolic networks, most essential reactions locate in the same metabolic subsystems, such as cofactor and prosthetic group biosynthesis, cell envelope biosynthesis, and membrane lipid metabolism.     

Polarized spectral properties of Nd3+ ions in CaYAlO4 crystal

Nd:CaYAlO₄ single crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). The polarized absorption spectra, the polarized fluorescence spectra, and the fluorescence decay curve of the crystal were measured at room temperature. The spectroscopic parameters were determined by Judd–Ofelt theory and Fuchtbauer–Ladenburg formula. The effective intensity parameters Ω ₂, Ω ₄, and Ω ₆ were obtained to be 2.19, 8.16, and 8.57×10^?20 cm², respectively. The calculated radiative probabilities, branching ratios, and radiative lifetime were also evaluated for the ⁴F_3/2 excited state using the calculated intensity parameters. The results indicate Nd:CaYAlO₄ has potential as a laser gain medium for ultrashort laser system.     

Collective dynamics of genetic oscillators withcell-to-cell communication: a study case of signal integration

This paper investigates the effect of integration of intracellular and extracellular signals on collective dynamics based on a multicellular system with cell-to-cell communication. Using a mathematical model of genetic repressilators coupled to quorum sensing, we show that the changes in parameters of a certain kind of cis-regulatory input function that quantifies the signal integration can lead to the change of coupling type from phase-attractive to phase-repulsive coupling or vice versa. Consequently, the multicellular system can exhibit, in both coupling cases, different collective behaviors in terms of synchronization and clustering. We give a general method of determining coupling type, elucidate the mechanism of generating these phenomena and present a criterion for stability of cluster states, mainly by analyzing phase interaction functions.     

Formation of metal-anion arrays within layered perovskite hosts. Preparation of a series of new metastable transition-metal oxyhalides, (MCl)LaNb(2)O(7) (M = Cr,Mn, Fe,Co)

A new series of transition-metal oxyhalides (MCl)LaNb(2)O(7) (M = Cr, Mn, Fe, Co) have been prepared by a simple topochemical route. Layered perovskite hosts (ALaNb(2)O(7), A = Li, Na, K or Rb) were reacted with the corresponding anhydrous metal halides under mild reaction conditions (<400 degrees C). The compounds were examined by X-ray powder diffraction; the series appears to be isostructural with (CuCl)LaNb(2)O(7), and the layer spacings, with the exception of M = Co, follow the trend expected from transition-metal cationic radii. Thermal analysis with differential scanning calorimetry (DSC) shows the materials to be metastable where all four compounds decompose exothermically above 690 degrees C.     

Crystal Structure of (6S,9S,13R,14S)-7,8-Didehydro-3,7-dimethoxy-17-methylmorphinan-4,6-diol

1 INTRODUCTION (9S,13R,14S)-7,8-Didehydro-3,7-dimethoxy-4-hydroxy-17-methylmorphinan-6-one I is an impor- tant natural product that was used to ease pain, decrease blood pressure and diminish inflammation. In order to study the stereochemistry of the reduction of I with potassium boronhydride, the crystal structure of the title compound II was determined by X-ray diffraction method. 2 EXPERIMENTAL 2. 1 Instrument The melting point was measured on a Yanagimoto MP-500 apparatus…     

Rearrangement of symmetrical dicubane clusters into topological analogues of the P cluster of nitrogenase: nature's choice?

Reaction schemes have been developed that lead to clusters having the topology of the PN cluster of nitrogenase. The single cubane clusters [(Tp)MFe3S4Cl3]z (M = Mo, z = 1-; M = V, z = 2-) react with PEt3 to give [(Tp)MFe3S4(PEt3)3]1+, which are reduced to the neutral edge-bridged double cubanes [(Tp)2M2Fe6S8(PEt3)4] with highly reduced (2[MFe3S4]1+) cores. Reaction of these clusters in acetonitrile with (Et4N)(HS) results in the formation of [(Tp)2Mo2Fe6S9(SH)2]3- and [(Tp)2V2Fe6S9(SH)2]4-. X-ray structures of the Et4N+ salts reveal the bridging pattern M2Fe6(mu2-S)2(mu3-S)6(mu6-S) in which two cuboidal MFe3(mu3-S)3 units share the common bridge atom mu6-S and are externally bridged by two mu2-S atoms. The M sites possess trigonal octahedral, and the Fe sites, distorted tetrahedral coordination. Hydrosulfide ligands and sulfide atoms simulate terminal cysteinate ligation and mu2 bridges, respectively, in the protein-bound cluster Fe8S7(mu2-SCys)2(SCys)4. The synthetic clusters have the same bridging pattern as the PN cluster and approach congruency with it. These clusters are the first molecular topological analogues of a PN cluster. Like the latter, they are substantially reduced (majority of Fe(II)).     

一缩二乙醇二甲基丙烯酸酯对真丝接枝的反应性

研究了一缩二乙二醇二甲基丙烯酸酯在空气存在下,用过硫酸钾(KPS)在水液 中对真丝的接枝。对接枝的条件,如单体、引发剂、甲酸(FA)和乳化剂OP的浓度以 及温度和时间对接枝率的影响进行了测试。发现了较佳的接枝条件是：温度 = 80 ℃,时间 = 30 min,[KPS] = 1.85% (owm),[OP] = 1% (owf),[FA] = 0.2%。 接枝率的大小可以用单体浓度来调节,接枝活化能是86.94 kJ/mol。