The ligand pteridino[6,7‐f] [1,10]phenanthroline‐11,13‐diamine (ppn) and its RuII complexes [Ru(bpy)2(ppn)]2+ ( 1 ; bpy=2,2′‐bipyridine) and [Ru(phen)2(ppn)]2+ ( 2 ; phen=1,10‐phenanthroline) were synthesized and characterized by elemental analysis, electrospray MS, 1H‐NMR, and cyclic voltammetry. The DNA‐binding behaviors of 1 and 2 were studied by spectroscopic and viscosity measurements. The results indicate that both complexes strongly bind to calf‐thymus DNA in an intercalative mode, with DNA‐binding constants Kb of (1.7±0.4)?106 M ?1 and (2.6±0.2)?106 M ?1, respectively. The complexes 1 and 2 exhibit excellent DNA‐‘light switch’ performances, i.e., they do not (or extremely weakly) show luminescence in aqueous solution at room temperature but are strongly luminescent in the presence of DNA. In particular, the experimental results suggest that the ancillary ligands bpy and phen not only have a significant effect on the DNA‐binding affinities of 1 and 2 but also have a certain effect on their spectral properties. [Ru(phen)2(ppn)]2+( 2 ) might be developed into a very prospective DNA‐‘light switch’ complex. To explain the DNA‐binding and spectral properties of 1 and 2 , theoretical calculations were also carried out applying the DFT/TDDFT method. 相似文献
The reisolation and structural revision of brassicicene D is described, and inspired us to reassign the core skeletons of brassicicenes C–H, J and K, ranging from dicyclopenta[a,d]cyclooctane to tricyclo[9.2.1.03,7]tetradecane using quantum‐chemical predictions and experimental validation strategies. Three novel, highly modified fusicoccanes, brassicicenes L–N, were also isolated from the fungus Alternaria brassicicola, and their structures were unequivocally established by spectroscopic data, ECD calculations, and crystallography. The reassigned structures represent the first class of bridgehead double‐bond‐containing natural products with a bicyclo[6.2.1]undecane carbon skeleton. Furthermore, their stabilities were first predicted with olefin strain energy calculations. Collectively, these findings extend our view of the application of computational predictions and biosynthetic logic‐based structure elucidation to address problems related to the structure and stability of natural products. 相似文献
This article proposes a Bayesian approach for the sparse group selection problem in the regression model. In this problem, the variables are partitioned into different groups. It is assumed that only a small number of groups are active for explaining the response variable, and it is further assumed that within each active group only a small number of variables are active. We adopt a Bayesian hierarchical formulation, where each candidate group is associated with a binary variable indicating whether the group is active or not. Within each group, each candidate variable is also associated with a binary indicator, too. Thus, the sparse group selection problem can be solved by sampling from the posterior distribution of the two layers of indicator variables. We adopt a group-wise Gibbs sampler for posterior sampling. We demonstrate the proposed method by simulation studies as well as real examples. The simulation results show that the proposed method performs better than the sparse group Lasso in terms of selecting the active groups as well as identifying the active variables within the selected groups. Supplementary materials for this article are available online. 相似文献
A series of novel amide derivatives bearing an indazole moiety were synthesized and evaluated for their in vitro S-adenosyl-L-homocysteine hydrolase (SAHase) inhibitory activity. Among these compounds, 8b, 8m, 8r and 8w showed better or similar inhibitory effects compared to the positive control aristeromycin. These results provide a novel lead for the discovery of more potent non-adenosine analogs as SAHase inhibitors. 相似文献
A multi-determinant artificial antigen was prepared by haptens of four pesticides (chlorpyrifos, triazophos, carbofuran and parathion methyl) conjugating to the carrier protein BSA in turn. Male New Zealand white rabbits were immunized with this multi-determinant immunogen to produce the polyclonal antibodies (PAbs), which can recognize the four pesticides. The PAbs displayed high level for each relative hapten-OVA conjugate, with the favorable titers of 4.49 × 104, 8.98 × 104, 2.24 × 104 and 1.86 × 104, for CHBu-OVA, THHe-OVA, BFNB-OVA and MP5-OVA, respectively. Characterization studies of the PcAbs showed that it has high affinity and specificity to the four relative pesticides. An indirect competitive ELISA was developed for multi-residue determination. The I50 value for the four pesticides was 0.290, 0.065, 0.582 and 2.824 μg mL−1, with the detection limit (I10) of 0.022, 0.005, 0.015 and 0.115 μg mL−1 for carbofuran, triazophos, chlorpyrifos and parathion methyl, respectively. The linear rang was 0.016-2.000, 0.005-0.500, 0.010-2.000 and 0.063-5.000 μg mL−1, respectively, for carbofuran, triazophos, chlorpyrifos and parathion methyl. Results indicated that, this study provided a new strategy to develop immunoassays through artificial antigen design for pesticides multi-residue determination. 相似文献
2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide1,commonly known as Lawesson's reagent (LR,1a),and Japanese Reagent (1b),are not only thiating agent for diverse carbonyl compounds1-3, but also they undergoes ring-closure reactions with contain substrates containing two functional groups to give phosphorus heterocycles which contain phosphonothioyliene {C6H4-P(S)〈} moiety. These heterocyclic compounds are of potential interest as herbicides,insecticides,and fungicides4,5. Glycinamides are known as biologically active materials, for example, herbicides, plant-growth regulator6. In order to look for potent herbicides7 and to extent the use of Japanese Reagent to other bifunctional substrates,its reactions with 3-alkyl-glycinamides 2 have been investigated and found to give new phosphorus heterocycles which possess Significant selective herbicidal activity against rape. Here are our results. 相似文献
α-Polychloroalkyl phosphoric dichlorides and their derivatives 2,3,4 has insecticidal activity1-4 and may be used as an intermediate to make other insecticides by reaction with alcohol, phenol, thiophenol or mercaptan. They can be prepared by various conventional methods of preparing phosphorus thioesters. Here we wish to report the addition reaction of tricovalent chlorophosphines with aldehydes containing withdrawing electron groups and its application in preparing of polychloroalkyl phosphorus dichlorides and their derivatives. The process can be represented by the following equation. 相似文献
Compared with real-valued complex networks, complex-valued dynamic networks have a wider application space. In addition, considering the existence of time delay and uncertainty in the actual system, the synchronization problem of fractional-order complex-valued dynamic networks with uncertain parameter and coupled delay is studied in this paper. In particular, the uncertain parameter is correlated with time delay. By using fractional derivative inequalities and linear delay fractional order equations, the synchronization of uncertainty complex networks with coupling delay is realized. Sufficient conditions for global asymptotic synchronization are obtained. The obtained synchronization results are applicable to most complex network systems with or without delay. Finally, numerical simulations verify the effectiveness of the obtained results.