[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

J. Appl. Cryst.の発刊に際して

Yuming Yang,†,§ Qiang Zhao,‡,§ Wei Feng,† and Fuyou Li*,† †Department of Chemistry and State Key Laboratory of Molecular Engineering of Polymers and Institutes of Biomedical Sciences, Fudan University, Shanghai 200433, P. R. China ‡Key Laboratory for Organic Electronics and Information Displays (KLOEID) and Institute of Advanced Materials (IAM), Nanjing University of Posts and Telecommunications, Nanjing 210046, P. R. China.

Luminescent chemodosimeters for bioimaging.

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Recently, more than 1000 large intergenic noncoding RNAs (lincRNAs) have been reported. These RNAs are evolutionarily conserved in mammalian genomes and thus presumably function in diverse biological processes. Here, we report the identification of lincRNAs that are regulated by p53. One of these lincRNAs (lincRNA-p21) serves as a repressor in p53-dependent transcriptional responses. Inhibition of lincRNA-p21 affects the expression of hundreds of gene targets enriched for genes normally repressed by p53. The observed transcriptional repression by lincRNA-p21 is mediated through the physical association with hnRNP-K. This interaction is required for proper genomic localization of hnRNP-K at repressed genes and regulation of p53 mediates apoptosis. We propose a model whereby transcription factors activate lincRNAs that serve as key repressors by physically associating with repressive complexes and modulate their localization to sets of previously active genes.

A Large Intergenic Noncoding RNA Induced by p53 Mediates Global Gene Repression in the p53 Response

A series of novel pyrazole carboxamide derivatives containing piperazine moiety was synthesised and determined by IR, 1H NMR and HRMS spectroscopy. Especially, the structure was confirmed by the X-...

Synthesis and X-ray Structure Characterisation of Novel Pyrazole Carboxamide Derivatives:

In the title compound, C17H20N2O5, all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 6.98 (11)°. The mol­ecules are linked by inter­molecular C—H⋯π inter­actions.

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Ethyl 5-(ethoxy­carbon­yl)-3-(4-methoxy­phen­yl)-1H-pyrazole-1-acetate

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115–119. Bruker (1997). SHELXTL. Version 5.1. Bruker AXS Inc., Madison, Wisconsin, USA. Bruker (2005). APEX2. Version 2.0-2. Bruker AXS Inc., Madison, Wisconsin, USA. Cottineau, B., Toto, P., Marot, C., Pipaud, A. & Chenault, J. (2002). Bioorg. Med. Chem. Lett. 12, 2105–2108. Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838. Finn, J., Mattia, K., Morytko, M., Ram, S., Yang, Y., Wu, X., Mak, E., Gallant, P. & Keith, D. (2003). Bioorg. Med. Chem. Lett. 13, 2231–2234. Jia, Z. J., Wu, Y., Huang, W., Zhang, P., Song, Y., Woolfrey, J., Sinha, U., Arfsten, A. E., Edwards, S. T., Hutchaleelaha, A., Hollennbach, S. J., Lambing, J. L., Scarborough, R. M. & Zhu, B. Y. (2004). Bioorg. Med. Chem. Lett. 14, 1229–1234. Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany. Wei, F., Zhao, B. X., Huang, B., Zhang, L., Sun, C. H., Dong, W. L., Shin, D. S. & Miao, J. Y. (2006). Bioorg. Med. Chem. Lett. 16, 6342–6347. Xia, Y., Ding, X.-L., Ge, Y.-Q., Liu, L.-D. & Zhao, B.-X. (2007). Acta Cryst. E63, o394–o395. organic compounds

1‐(4‐tert‐Butylbenzyl)‐3‐(4‐chlorophenyl)‐1H‐pyrazole‐5‐carboxylic acid

In the structure of the title compound, [Fe(C5H5)(C13H14BrN2O2)], the two cyclopentadienyl (Cp) rings are in an eclipsed conformation and are parallel. The dihedral angle between the substituted Cp ring and the heterocyclic ring is 8.20°.

Bao-Xiang Zhao

Papers

Synthesis and X-ray Structure Characterisation of Novel Pyrazole Carboxamide Derivatives:

Ethyl 5-(ethoxycarbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-1-acetate

1‐(4‐tert‐Butylbenzyl)‐3‐(4‐chlorophenyl)‐1H‐pyrazole‐5‐carboxylic acid

Ethyl 1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate

Synthesis of novel boron chelate complexes and proposed mechanism of new rearrangement

Bao-Xiang Zhao

Papers

Synthesis and X-ray Structure Characterisation of Novel Pyrazole Carboxamide Derivatives:

Ethyl 5-(ethoxy­carbon­yl)-3-(4-methoxy­phen­yl)-1H-pyrazole-1-acetate

1‐(4‐tert‐Butylbenzyl)‐3‐(4‐chlorophenyl)‐1H‐pyrazole‐5‐carboxylic acid

Ethyl 1-(2-bromo­ethyl)-3-ferrocenyl-1H-pyrazole-5-carboxyl­ate

Synthesis of novel boron chelate complexes and proposed mechanism of new rearrangement

Ethyl 5-(ethoxycarbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-1-acetate

Ethyl 1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate