Untersuchung der Molekulargewichtscharakteristiken einiger aliphatischer Polyester unter den Bedingungen der Gleichgewichtspolykondensation

Ohne Zusammenfassung     

Reaction ofα-mercaptocarboxylic acids with orthoesters

Conclusions The reaction of -mercaptocarboxylic acids with alkyl orthoesters leads to the formation of the corresponding 1-oxo-2-alkoxy-3-thiolan-5-ones in high yield.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 468–469, February, 1978.     

Liquid-vapor equilibrium in the system acetone-methanol-<Emphasis Type="Italic">N</Emphasis>-butylpyridinium hexafluorophosphate

The liquid-vapor equilibrium in the system acetone-methanol-N-butylpyridinium hexafluorophosphate was studied at 313.15 K.     

On unique solvability of one nonlinear nonlocal with respect to the solution gradient nonstationary problem

We consider a parabolic equation whose space operator is a product of a nonlinear bounded function which depends on a nonlocal characteristic with respect to a solution gradient and a strongly monotone potential operator. We prove the existence and uniqueness of the solution in the class of the vector-valued functions with values in the Sobolev space.     

Synthesis of (2<Emphasis Type="Italic">R</Emphasis>,4<Emphasis Type="Italic">R</Emphasis>)-2-alkyl-3-(2-mercaptobenzoyl)thiazolidine-4-carboxylic acids

Basing on natural amino acid L-cysteine, commercially available aliphatic aldehydes, 2-acetylsulfanylbenzoyl chloride and 2,2′-disulfandiyldibenzoyl dichloride a synthesis was developed of (2R,4R)-2-alkyl-3-(2-mercaptobenzoyl)thiazolidine-4-carboxylic acids, potential antihypertensive compounds, inhibitors of angiotensin transforming enzyme.     

Parametrization of macrolide antibiotics using the force field toolkit

Macrolides are an important class of antibiotics that target the bacterial ribosome. Computer simulations of macrolides are limited as specific force field parameters have not been previously developed for them. Here, we determine CHARMM‐compatible force field parameters for erythromycin, azithromycin, and telithromycin, using the force field toolkit (ffTK) plugin in VMD. Because of their large size, novel approaches for parametrizing them had to be developed. Two methods for determining partial atomic charges, from interactions with TIP3P water and from the electrostatic potential, as well as several approaches for fitting the dihedral parameters were tested. The performance of the different parameter sets was evaluated by molecular dynamics simulations of the macrolides in ribosome, with a distinct improvement in maintenance of key interactions observed after refinement of the initial parameters. Based on the results of the macrolide tests, recommended procedures for parametrizing very large molecules using ffTK are given. © 2015 Wiley Periodicals, Inc.     

Regioselective alkylation of isopropylidene- and cyclohexylidenepropanedinitrile with phenacyl bromides

Alkylation of isopropylidene- and cyclohexylidenepropanedinitrile with phenacyl bromides gave 2,2-bis(2-aryl-2-oxoethyl)propanedinitriles. Direct alkylation of propanedinitrile with phenacyl bromides afforded only 2-(2-aryl-2-oxoethyl)propanedinitriles.