Andersen method

In the foregoing treatments of pressure feedback, the simulation volume retains its cubic form, so changes consist of uniform contractions and expansions. The method is readily extended to the case of a simulation region in which the lengths and directions of the edges are allowed to vary independently. Parrinello and Rahman [31] and Nose and Klein [32] extended the Andersen method to the case of noncubic simulation cells and derived a new Lagrangian for the extended system. Though their equations of motion are... 

Both enantiomers of methyl p-tolyl sulfoxide are available from the above procedure by selection of the appropriate diethyl tartrate. This procedure describes the preparation of (S)-(-)-methyl p-tolyl sulfoxide which is not easy to prepare by the Andersen method " using (+)-raenthol. 

Nucleophilic substitution on chiral sulfur derivatives (the so-called Andersen method)... 

The experiments were carried out on outbreed male rats of 150 -180 g weight. We resected liver mass by the Higgins-Andersen method. The operated rats were divided into two similar groups for control and experiment. Immediately after the operation, ES in a dose of 10 mg/kg intramuscularly or IPG in a dose of 50 mg/kg intr eritoneally were administered only once to the experimental group animals, and 24 h later the injections were repeated. An appropriate amount of standard physiological saline was administered to a control groiq) of rats. Euthanasia was performed 48 h after the operation termination, i.e. 24 h after the second ES administration. 

In the next subsection we describe the numerical treatment of the DPD system. We then take up the alternative scheme, the pairwise Nos6-Hoover-Langevin (PNHL) method, of [228] which also conserves momentum exactly. Other alternatives to the DPD system include the Peters thermostat [299], the Lowe-Andersen method [241], and the Nos6-Hoover-Lowe-Andersen thermostat [347]. We do not discuss these schemes here, but note that they are compared to DPD and some of the other schemes introduced below in [228]. 

This chapter does not consider the Andersen method this is discussed by Allin in Chapter 2. Attention is focused on the asymmetric oxidation of sulfides to sulfoxides ( sulfoxidation ). Cases in which the chiral auxiliary is connected to the sulfide are detailed first, then stoichiometric and, finally, catalytic oxidations are discussed. 

There are several ways to produce chiral sulfoxides. The resolution of a racemic mixture is seldom used. The main approach is the Andersen method which is based on the stereoselective transformation of a sulfmate deriving from a cheap alcohol, usually (-)-menthol (Figure 5). 

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