Quantitative Structure-Activity Studies of Octopaminergic Agonists and Antagonists Against Locusta migratoria Using Similarity Indexes

Abstract

The quantitative structure-activity relationship of 39 octopamine (OA) agonists and 12 antagonists against the thoracic nerve cord of the migratory locust, Locusta migratoria L. was analyzed using atom based rigid fit method or flexible fitting offered by PowerFit 1.0 from MicroSimulation. For OA agonists, the more similar to reference compound NC (24) the structure of test compound, the higher the activity, whereas for OA antagonists it was not the case. Antagonists may not interact with the same part of the membrane with which the agonists interact. Taken the part of the membrane with which the agonist interacts as the true receptor, the antagonist may well interact with an area surrounding the receptor including the ionophore.     

Formation and characterization of microemulsions containing polymeric silicone

We have prepared microemulsions consisting of water/[40 wt % polyoxyethylene (20 mol) glycerin isostearate (abbreviated as POE-GIS) + 60 wt % random copolymer of polyoxyethylene (POE, 38 mol)/polyoxypropylene (POP, 10 mol) pentaerythritol tetramethyl ether {abbreviated as PEPTME (38/10)}]/[polyoxyethylene (POE, 19 mol)/polyoxypropylene (POP, 19 mol) polydimethylsiloxane copolymer (abbreviated as POE/POP-PDMS)] and water/[40 wt % POE-GIS + 60 wt % PEPTME (38/10)]/[95 wt % POE/POP-PDMS + 5 wt % oleic acid (abbreviated as OA)] systems and characterized them with optical observation, rheometry, and freeze-fracture transmission electron microscopy (FF-TEM) images. Bicontinuous and droplet-type O/W (oil-in-water) microemulsions are formed depending on the volume fraction of water. The bicontinuous structure observed in the oil-rich region, upon successive dilution with water, is transformed into a droplet-type microemulsion without phase separation.The prepared droplet-type microemulsion containing polymeric silicone and random copolymer PEPTME (38/10) as a cosurfactant in the water-rich region has potential applications in cosmetics.     

Benzyl protection of phenols under neutral conditions: palladium-catalyzed benzylations of phenols.

Benzyl protection of phenols under neutral conditions was achieved by using a Pd(eta3-C3H5)Cp-DPEphos catalyst. The palladium catalyst efficiently converted aryl benzyl carbonates into benzyl-protected phenols through the decarboxylative etherification. Alternatively, the nucleophilic substitution of benzyl methyl carbonates with phenols proceeded in the presence of the catalyst, yielding aryl benzyl ethers.     

Chemoselective conversion of α-unbranched aldehydes to amides, esters, and carboxylic acids by NHC-catalysis

Depending on the N-heterocyclic carbene catalyst utilized, α-unbranched aldehydes selectively provided amides, esters, or carboxylic acids through oxidation by NCS. The α-unbranched aldehyde underwent these reactions chemoselectively in the presence of an aromatic or α-branched aldehyde.