Sodium phosphaethynolate, Na(OCP), reacts with the bulky P-chloro-diazaphosphole yielding a phosphanyl phosphaketene, which is stable for weeks under an inert atmosphere in the solid state. This compound is best described as a tight ion pair with a remarkably long P-P bond distance (2.44 Å). In solution, this phosphaketene dimerizes under loss of CO to give 1,2,3-triphosphabicyclobutane identif...

We present a theory of rare events and derive an algorithm to obtain rates from postprocessing the numerical data of a free energy calculation and the corresponding committor analysis. The formalism is based on the division of the saddle region of the free energy profile of the rare event into two adjacent segments called saddle domains. The method is built on sampling the dynamics within these...

Over the past 40 years, much of the author's research, both computational and experimental, has involved collaborations. This Perspective describes some of the author's collaborative research in eight different areas of organic and theoretical chemistry: (1) hydrocarbons containing unsaturatively, 1,3-bridged cyclobutane rings, (2) the use of orbital topology for predicting the ground states of...

Thermal rearrangement of propargyl naphthyl ethers produced naphthopyrans. In the presence of sodium methoxide, propargyl naphthyl ethers were converted easily to naphthofurans and naphthodifurans in good yields

marvelon®, a combined oral contraceptive, contains 30 μg ethinyl estradiol (ee) and 150 μg desogestrel (de), and has been shown to be a well-tolerated and effective combination that provides high contraceptive reliability and good cycle control. however, its efficacy has not been yet evaluated among iranian women. thus, the study aimed to determine the effect of oral contraceptive pill on treat...

Rearrangement of propargyl amine salt, in the presence of a base was studied and it was concluded that this occurs through an allenic intermediate.

V-D-J rearrangement of the TCR-beta chain follows the 12/23 rule and the beyond 12/23 restriction. Currently, the proportion and characteristics of TCR-beta chain V-J rearrangement is unclear. We used high-throughput sequencing to compare and analyze TCR-beta chain V-J rearrangement and V-D-J rearrangement in the CDR3 repertoires of T cells from the PBMCs of six volunteers and six BALB/c mice. ...