The rearrangements for 2-phospha-4-silabicyclo[1.1.0]butane, analogous to the valence isomerization of the hydrocarbons bicyclobutane, 1,3-butadiene, and cyclobutene, were studied at the (U)QCISD(T)/6-311+G**//(U)QCISD/6-31G* level of theory. The monocyclic 1,2-dihydro-1,2-phosphasiletes are shown to be the thermodynamically preferred product, in contrast to the isomerization of the hydrocarbon...

Partially deuterated protonated water dimers, H2O·H(+)·D2O, H2O·D(+)·HDO, and HDO·H(+)·HDO, as important intermediates of isotopic labeled reaction of H3O(+) + D2O, undergo direct dissociation and indirect dissociation, i.e., isomerization before the dissociation. With Rice-Ramsperger-Kassel-Marcus theory and ab initio calculations, we have computed their dissociation and isomerization rate con...

the mono-metallic and bi-metallic catalysts have been prepared by impregnating with solutions containing a compound of h2ptcl6,wo3 and 1ml hcl (0.1 mol). it should be noted that the catalysts’ activity and selectivity have been determined under these conditions : 450-5000c ,and 15-25atm by h2. for converting n-heptane , the molar ratio h2/c7h16 is 5 , and lhsv is 1.5ml/h. it has been proved tha...

In the title compound, C20H18BrN3S, the cyclo-pentane ring adopts a half-chair conformation. The 4-bromo-phenyl and phenyl rings make dihedral angles of 34.6 (1) and 68.52 (6)°, respectively, with the di-hydro-thia-zole ring. In the crystal, the mol-ecules pack in sheets approximately parallel to (101) which are formed by weak C-H⋯Br inter-actions.

*Correspondence to: Alessandro A Sartori; Email: [email protected] Submitted: 06/18/13; Accepted: 06/20/13 http://dx.doi.org/10.4161/cc.26077 Comment on: Steger M, et al. Mol Cell 2013; 50:333-43; PMID:23623683; http://dx.doi.org/10.1016/j.molcel.2013.03.023 The repair of DNA double-strand breaks (DSBs) is highly complex. To maintain genome integrity and avoid tumorigenesis, cells choreograph...