Abstract Thermolysis of thiirane oxide leads to production highly reactive sulfur monoxide. The liberated SO can in turn be trapped with a diene scavenger forming dihydrothiophene oxide. Since the intermediate diatomic possesses triplet ground state, transfer proceed on two spin‐state surfaces. Here, we study competition between singlet concerted and stepwise diradical mechanisms utilizing M06‐...

SB-3CT, (4-phenoxyphenylsulfonyl)methylthiirane, is a potent, mechanism-based inhibitor of the gelatinase sub-class of the matrix metalloproteinase (MMP) family of zinc proteases. The gelatinase MMPs are unusual in that there are several examples where both enantiomers of a racemic inhibitor have comparable inhibitory abilities. SB-3CT is one such example. Here, the inhibition mechanism of the ...

The inhibition mechanism of matrix metalloproteinase 2 (MMP2) by the selective inhibitor (4-phenoxyphenylsulfonyl)methylthiirane (SB-3CT) and its oxirane analogue is investigated computationally. The inhibition mechanism involves C-H deprotonation with concomitant opening of the three-membered heterocycle. SB-3CT was docked into the active site of MMP2, followed by molecular dynamics simulation...

To develop a new surface treatment agent which improves the bond strength of adhesive resin to both non-precious and precious metals, experimental treatment agents containing both an adhesive bonding promoter for precious metals and one for non-precious metals were prepared by dissolving epithioalkyl methacrylate (EP3MA or EP8MA) and 10-methacryloyloxydecyl dihydrogen phosphate (MDP) in acetone...

The combination of Fourier transform microwave (FTMW) spectroscopy with the technique of pulsed supersonic molecular beams (MB) by Balle and Flygare [1] resulted in a great improvement of rotational spectroscopy [2]. One advantage of the beam technique is the simplification of the rotational spectra observed in a static gas, which often, especially for asymmetric top molecules, are very dense b...

The oxorhenium(V) dimer {MeReO(edt)}2 (1; where edt = 1,2-ethanedithiolate) catalyzes S atom transfer from thiiranes to triarylphosphines and triarylarsines. Despite the fact that phosphines are more nucleophilic than arsines, phosphines are less effective because they rapidly convert the dimer catalyst to the much less reactive catalyst [MeReO(edt)(PAr3)] (2). With AsAr3, which does not yield ...