Efeitos de substituintes na ligação de hidrogênio do 3-hidroxipropenal

The effect of substituents on the energies and geometries of 3-hydroxypropenal was studied using the B3LYP/6-311++G(d,p) model. The hydrogen bond energies indicate that the strongest donors and the weakest acceptors present the highest and the weakest hydrogen bonds, respectively, indicating the validity of the Madsen RAHB model. Geometric parameters indicate that the intensity of the hydrogen bond is proportional to the resonance, as suggested by the RHAB model. The effect of substituents diverges from the model proposed by Gilli et al. Sometimes the results indicate that the donor or acceptor effect is more important than the point of substitution.

Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Characterization and Quantification of Major Biochemical Components and Secondary Metabolites of Some Green and Red Seaweeds from the Kerala Coast

Sea is a huge source to meet our daily needs, lifff(rrsccaaaeyohdpnnmmmimlruCeeeaorcxnefkuuouiaosaae nedparihtnatvesmtrpdmerrdnosi cwrlurlstdo -ofaieasopautiktlaeotnc intcyie,rcensruact irnshtoreitotee nnioipiaeetsnmma oeins oSsdiipdoonu soienadh hnoaae nno ein hctlshlacscnalersadiy i, udif ,y t sec aag bae wo sosc fr eoc a ntsralnoi alfador,oeahtefxneeofl nuc otu h nu imnatofe ratata ncisted rn teoieesdvdxrnnhescceexptsp gmn )ieis oadhitratmtnit dapo imoo i soheiwurc a s- toaaorhpstiie aieaidsr,nrneaedttiod ldenahi s. nctyiitdsl nictsseueavev sSera em d,h,e cdu sbsaeer depsraowe nde ,,cpscn m eaa n hrnfx uiesia tvoitsb memdoytprveatoati ft aisrvfrohceertfr dettogcenitt eo oi euafarsn sgepua srre nwctsamucrmaneoeeuurnworaieostnael aelaut anrtcstptai.iavmula,di sdenetzt et,a rcpn aeHbioetr ren s cttapniwrsibiyredl(nhhar,ciutnele eott Pd yssi naae.aos tgntbfspac uo,h shaalloi tt te eitlisr Tm,nu(eietaa teo s v x-o atvhutotrhdrreb, hqedtdhepy hdloa,fcsevetoesl gguynio uioehueeerlrea rv bpaaepsarti er b acprcepiaiei,chtmanoet rt ttoiilaerovt ahiscyd,tri tft os inktannao oi1nm iitieoccsiirttmdftre,etogcv t0etn.u aino ie pnye seohtmi e aom0oraosad hes lsspa cebnr.nm0end awsae a iiasem)hi vxyn0,ot.iliwPo p o neeingeireb s fTet-chhncaf ttbri el sh,ei tnh chy hbyyonbsaaepivmae .eoa eeeeitlbll,lfdmabern ooos eotltmlayaaiealsccoo,e r ncbtc uw iranuo)dim.aoisgnhlwahp iesn eciysf ot,aeitprOete hes amsecsdh( hfeerdemrh.m.sRiy lfad a i ees dgaosi caeycclag vh T ii illhtasfcTthcuflorccsyloeh aoiol horsot tae shn,csa r.rai erhdrtoa menea,lyxnlesdeh ayrs sao r dcctadi gN e epigep,m etrtapat nn a uy,a reraie oywcrd rahb vireai enepmseacwoanuspnvyyeirepso ntcocrerttassepc c iieeaedohefoaeab me-tnc rie l ndsuhnmaemng i wioi,scgaos tclcaeltnteoeesomaiga eeluaic eieytn, yci ivucnnspi) a.atet.dtfsf,ops g a,is iodgawltbf d hsou,oIenosrwoee a grgino sensoc entoauddrgmeforf h lieureaw o as minaeo nntatb itd t lnuohrhecndieaaratttotoaicssdhndphooyeeaecsssssrffl