简介：

简介：

简介：

简介：Comparativemolecularfieldanalysis(CoMFA),athreedimensionalquantitativestructure-activityrelationship(3D-QSAR)methodwasappliedtoaseriesofdiindolylmethane(DIM)analogstostudytherelationshipbetweentheirstructureandtheirinductionofCYP1A1-associatedethoxyresorufin-O-deethylase(EROD)activity.ADISCOmodelofpharmacophorewasdervedtoguidethesuperpositionofthecompounds.Thecoefficientofcross-validation(q^2)andnoncross-validation(r^2)forthemodelestablishedbythestudyare0.827and0.988respectively,thevalueofvarianceratio(F)is103.53andstandarderrorestimate(SEE)is0.044.ThesevaluesindicatethattheCoMFAmodelderivedissignificantandmighthaveagoodpredictionforthecatalyticactivityofDIMcompounds.Asaconsequence,thepredictedactivityvaluesofnewdesignedcompoundswereallhigherthanthatofthereportedvalue.

简介：Astudywasmadeofmagneticfieldeffects(MFEs)onthephotoreductionreactionof2-methyl-1,4-naphthoquinone(MNQ)inBrij35micellarsolutioncontaining4-1auroylamino-TEMPO(2,2,6,6-tetramethylpiperidine-1-oxyl)radical(L-R·)undermagneticfieldsbelow1.75Tbyananosecondlaserflashphotolysistechnique.ThetripletMNQmainlyunderwentthehydrogenabstractionfromBrij35moleculetogivearadicalpair.Theescapedradicalyieldincreasedwithmagneticfieldsfrom0to0.62Tandthensaturatedfrom0.62to1.75T.MFEsforbothsystemscanbeexplainedbytherelaxationmechanism.However,itwassupposedthatadditionalradical,L-R.affectedtheMFEsmainlythroughenhancingthespin-spininteractionsofradicalpairs.TheeffectofthemicellesizeonMFEsofthestudyingsystemwasalsodiscussed.