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991.
Zheng Zheng Hong-ping Zhou Guo-yi Xu Zhi-peng Yu Xiao-fei Yang Long-huai Cheng Lin Kong Yan Feng Jie-ying Wu Yu-peng Tian 《Tetrahedron》2012,68(32):6569-6574
A series of new one, two, and three-branched two-photon absorption triazine derivatives with a π-bond and a σ-electron pair as a bridge have been synthesized and their photophysical properties have been systematically investigated. These chromophores showed obvious solvatochromic effects, i.e., significant bathochromic shifting of the emission spectra and larger Stokes shifts were observed in more polar solvents mainly due to intra-molecular charge transfer (ICT). The two-photon absorption (2PA) cross-section values were determined by the two-photon excited fluorescence (TPEF) measurements in DMF. This result further proved that a σ-electron pair as a bridge is an efficient way to transfer charge as well as a π bridge, and that their 2PA cross-section values (δ) increase with increasing branch number. 相似文献
992.
Lijun Ni Ziyuan Li Fan Wu Jinyi Xu Xiaoming Wu Lingyi Kong Hequan Yao 《Tetrahedron letters》2012,53(10):1271-1274
The first concise total syntheses of pyrroloquinoline natural products, Marinoquinolines A–C, have been achieved in six linear steps from commercially available starting materials. The key steps were a reaction between (p-tolylsulfonyl)methylisocyanide (TosMIC) and α, β-unsaturated ester under basic condition to prepare the pyrrole moiety and Morgen-Walls reaction to construct quinoline ring. 相似文献
993.
Ricky P. W. Kong Quan Quan Qiang Hao Cheuk-Kuen Lai Chi-Kit Siu Ivan K. Chu 《Journal of the American Society for Mass Spectrometry》2012,23(12):2094-2101
In this study, we generated phosphoserine- and phosphothreonine-containing peptide radical cations through low-energy collision-induced dissociation (CID) of the ternary metal?Cligand phosphorylated peptide complexes [CuII(terpy) p M]·2+ and [CoIII(salen) p M]·+ [ p M: phosphorylated angiotensin III derivative; terpy: 2,2':6',2''-terpyridine; salen: N,N '-ethylenebis(salicylideneiminato)]. Subsequent CID of the phosphorylated peptide radical cations ( p M·+) revealed fascinating gas-phase radical chemistry, yielding (1) charge-directed b- and y-type product ions, (2) radical-driven product ions through cleavages of peptide backbones and side chains, and (3) different degrees of formation of [M ?C H3PO4]·+ species through phosphate ester bond cleavage. The CID spectra of the p M·+ species and their non-phosphorylated analogues featured fragment ions of similar sequence, suggesting that the phosphoryl group did not play a significant role in the fragmentation of the peptide backbone or side chain. The extent of neutral H3PO4 loss was influenced by the peptide sequence and the initial sites of the charge and radical. A preliminary density functional theory study, at the B3LYP 6-311++G(d,p) level of theory, of the neutral loss of H3PO4 from a prototypical model??N-acetylphosphorylserine methylamide??revealed several factors governing the elimination of neutral phosphoryl groups through charge- and radical-induced mechanisms. 相似文献
994.
Guo J Zhang J Shu P Kong L Hao X Xue Y Luo Z Li Y Li G Yao G Zhang Y 《Molecules (Basel, Switzerland)》2012,17(6):6424-6433
Two new diterpenoids, wikstroelide Q (1) and prostratin Q (5), together with three known diterpenoids, pimelea factors P? (2), P? (3), and prostratin (4), and five known lignans, (+)-epipioresinol (6), (+)-isolariciresinol (7), (?)-lariciresinol (8), (+)-epi-sesaminone (9), and prestegane B (10), were isolated from the buds of Wikstroemia chamaedaphne Meissn. Their structures were elucidated by a combination of spectroscopic analyses. Compounds 1–10 were evaluated for their cytotoxicities against HL-60, SMMC-7721, A549, MCF-7, SW480, and BEAS-2B cell lines in vitro. 相似文献
995.
YL Chen DJ Barlow XL Kong YM Ma RC Hider 《Dalton transactions (Cambridge, England : 2003)》2012,41(35):10784-10791
As a means to aid in the design of 3-hydroxypyridin-4-ones (HPOs) intended for use as therapeutic Fe(3+) chelating agents, a novel methodology has been developed using quantum mechanical (QM) calculations for predicting the iron binding affinities of the compounds (more specifically, their log K(1) values). The reported/measured HPO log K(1) values were verified through their correlation with the corresponding sum of the compounds' ligating group pK(a) values. Using a training set of eleven HPOs with known log K(1) values, reliable predictions are shown to be obtained with QM calculations using the B3LYP/6-31+G(d)/CPCM model chemistry (with Bondi radii, and water as solvent). With this methodology, the observed log K(1) values for the training set compounds are closely matched by the predicted values, with the correlation between the observed and predicted values giving r(2) = 0.9. Predictions subsequently made by this method for a test set of 42 HPOs of known log K(1) values gave predicted values accurate to within ±0.32 log units. In order to further investigate the predictive power of the method, four novel HPOs were synthesised and their log K(1) values were determined experimentally. Comparison of these predicted log K(1) values against the measured values gave absolute deviations of 0.22 (13.87 vs. 14.09), 0.02 (14.31 vs. 14.29), 0.12 (14.62 vs. 14.50), and 0.13 (15.04 vs. 15.17). The prediction methodology reported here is the first to be provided for predicting the absolute log K(1) values of iron-chelating agents in the absence of pK(a) values. 相似文献
996.
Zheng YY Wen R Kong XJ Long LS Huang RB Zheng LS 《Dalton transactions (Cambridge, England : 2003)》2012,41(33):9871-9875
An undeca-nuclear nickel substituted POM, namely [Ni(H(2)O)(6)][Ni(11)(PW(9)O(34))(2)(IDA)(3)(en)(2)(Hen)(2)(OH)(6)]·(H(2)O)(7)·(H(2)en)(2) (1) (en = 1,2-ethylenediamine, H(2)IDA = iminodiacetic acid), was synthesized through hydrothermal reaction of Na(6)PW(9)O(34), en, H(2)IDA and NiCl(2)·6H(2)O. Single-crystal structure reveals that 1 can be viewed as Ni(6)PW(9) and Ni(5)PW(9) units linked by a μ(3)-O bridge and two IDA(2-) ligands. Magnetic investigation indicates the presence of dominantly ferrimagnetic interactions within the Ni(11) core. Electrochemistry study shows that 1 displays a stable and reproducible voltammetric graph. 相似文献
997.
A detailed study on the scope of the efficient PtCl(2)-catalyzed synthesis of carbazoles from 1-(indol-2-yl)-2,3-allenols is described. Through isotopic labeling experiments, it is confirmed that the reaction proceeds through a unique metal carbene intermediate, which undergoes subsequent highly selective 1,2-hydrogen migration to afford carbazoles. The reaction shows wide scope and allows the introduction of a variety of different substituents at different positions on the carbazole due to the substituent-loading capability of both indole and the allene moiety. 相似文献
998.
X Kong J Qin Z Li A Vultur L Tong E Feng G Rajan S Liu J Lu Z Liang M Zheng W Zhu H Jiang M Herlyn H Liu R Marmorstein C Luo 《Organic & biomolecular chemistry》2012,10(36):7402-7417
Oncogenic mutations in critical nodes of cellular signaling pathways have been associated with tumorigenesis and progression. The B-Raf protein kinase, a key hub in the canonical MAPK signaling cascade, is mutated in a broad range of human cancers and especially in malignant melanoma. The most prevalent B-Raf(V600E) mutant exhibits elevated kinase activity and results in constitutive activation of the MAPK pathway, thus making it a promising drug target for cancer therapy. Herein, we describe the development of novel B-Raf(V600E) selective inhibitors via multi-step virtual screening and hierarchical hit optimization. Nine hit compounds with low micromolar IC(50) values were identified as B-Raf(V600E) inhibitors through virtual screening. Subsequent scaffold-based analogue searching and medicinal chemistry efforts significantly improved both the inhibitor potency and oncogene selectivity. In particular, compounds and possess nanomolar IC(50) values with selectivity for B-Raf(V600E)in vitro and exclusive cytotoxicity against B-Raf(V600E) harboring cancer cells. 相似文献
999.
Sun S Deng D Kong C Song X Yang Z 《Dalton transactions (Cambridge, England : 2003)》2012,41(11):3214-3222
Unusual polyhedral 26-facet Cu(7)S(4) cages wholly exposed with amazingly unique nanotwinned structures as building blocks were successfully synthesized via a facile ethanol-assisted sacrificial Cu(2)O templates approach. Furthermore, a solvent-controlled fabrication of polyhedral copper sulfides (Cu(7)S(4) and CuS) with different stoichiometries and microstructures can be artificially achieved, which is determined by the intrinsic difference of the surface states of Cu(2)O templates. Structural and morphological evolutions were investigated by X-ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM) and field-emission scanning electron microscopy (FESEM). Stoichiometric-dependent characteristics were demonstrated in the UV-vis absorption investigations. The as-prepared Cu(7)S(4) microcages exhibit higher photocatalytic activity for enhancing degradation of methylene blue, which might be attributed to their special nanotwinned building blocks. This study is of great importance in "bottom-up" assembly of unusual ordering hollow copper sulfides superstructures, but also offers a good opportunity to understand the fundamental significance of nanotwinned structures for their potential applications. 相似文献
1000.
Discovering potent inhibitors against c-Met kinase: molecular design, organic synthesis and bioassay
Liang Z Ding X Ai J Kong X Chen L Chen L Luo C Geng M Liu H Chen K Jiang H 《Organic & biomolecular chemistry》2012,10(2):421-430
The receptor tyrosine kinase c-Met is an attractive target for therapeutic treatment of cancers nowadays. The discovery of small molecule inhibitors is of special interest in the blockade of the c-Met kinase pathway. Here, we initiated our study from compound 1a, a novel inhibitor against c-Met kinase. A substructure similarity search against the SPECS database and chemical synthesis methods were performed to obtain a series of pyrazolidine-3,5-dione derivatives. Through the enzyme-based assay against c-Met kinase, 4 compounds (1c, 1e, 1m and 1o) showed potential inhibitory activity, with IC(50) values mostly less than 10 μM. Based on the structure-activity relationship (SAR) and binding mode analysis, a focused combinatorial library was designed by the LD1.0 program. Taking into account ADMET properties and synthesis accessibility, seven candidate compounds (5a-g) were successfully synthesized. The activity of the most potent compounds 5b (IC(50) = 0.46 μM) was 20 fold higher than that of the lead 1a. Taken together, our findings identified the pyrazolidine-3,5-dione derivatives as potent inhibitors against c-Met kinase and demonstrated the efficiency of the strategy in the development of small molecules against c-Met kinase. 相似文献