ࡱ> AC@{bjbjBrBr 4  > > $ $: $"$"$"$"$"$"$$q&#)XF$9F$$___ $_ $__$ ped  $$0$ {*Q{*$ $ `{*#_F$F$${*> ^:ANALYSIS OF FRAGMENTATION OF DIPHENYLAMIDINE DERIVATIVES OF EDOT BY ESI-MS/MS METHODE AND DFT CALCULATIONS ANALIZA FRAGMENTACIJE DIFENILAMIDINSKIH DERIVATA EDOT-a ESI-MS/MS METODOM I DFT RA UNOM Ivana Stoli1, Danijela Bari2, Snje~ana Kazazi2, Igor Bratoa3, Miroslav Baji1 1Veterinarski fakultet, Sveu iliate u Zagrebu, Heinzlova 55, 10000 Zagreb, Hrvatska,  HYPERLINK "mailto:stolic@vef.hr" stolic@vef.hr, mbajic@vef.hr 2 Institut Ruer Boakovi, Bijeni ka 54, 10002 Zagreb, Hrvatska,  HYPERLINK "mailto:Snjezana.Kazazic@irb.hr" Snjezana.Kazazic@irb.hr; Danijela.Baric@irb.hr 3TAPI Istra~ivanje i razvoj, PLIVA Hrvatska d.o.o., Prilaz baruna Filipovia 25, 10000 Zagreb, Hrvatska, Igor.Bratos@pliva.com Lijekovi u organizmu podlije~u biotransformacijama kojima se formiraju metaboli ki produkti. Ispitivanje metabolizma bioloaki aktivnih spojeva uz njihovu sintezu ini integralni dio u dizajnu i razvoju potencijalnih lijekova. Dva osnovna razloga provedenih istra~ivanja su odrediti stabilnost >JLZ\^x  : H j   ( * , . úծxsl hhrch. hhrcH* hy*hhrchhrc hy*hS 8 hy*H*hp+hV'hV'H*hV'hy*h.H* hy*h.hy*h5CJaJh ^5CJaJh75CJaJhOE5CJaJhy*h.5CJaJhp+5CJaJhy*h%a5CJaJh%a5CJaJ) , . ^ $a$gdy*gdy*$d]^a$gd<$a$gdy*$a$gd%a. 0  " < > \ ^ ` b d : < j l p ɷԦԞɒyj_jNj_!h#i>h#i>0JB*CJaJphh#i>h#i>CJaJjh#i>h#i>CJUaJh@*CJaJh ^CJaJh ^CJH*aJhy*h.CJH*aJh#i>CJaJ!h ^h.0JB*CJaJph#jh ^h.CJUaJh ^h.CJaJjh ^h.CJUaJhp+CJaJhy*h.CJaJhy*CJH*aJ  " : > V n TVn~ԽsbSjhy*hreCJUaJ jpT hy*hreCJUaJjhy*hreCJUaJhy*h.CJaJUhp+CJaJh7'CJaJhy*hreCJaJh@*CJaJhy*h;CJaJhy*hS 8CJaJhOECJOJQJaJhhrcCJOJQJaJhhhrcCJOJQJaJhhrchhrcCJH*OJQJaJ ispitivanih spojeva i mogunost nastajanja ne~eljenih (toksi nih) metabolita.  EMBED ChemDraw.Document.6.0  Tandemskom spektrometrijom mase i teorijskim ra unima (DFT) obraeni su difenilamidinski derivati 3,4-etilendioksitiofena. Prou avan je utjecaj alkilnih i cikli kih amidinskih derivata na put fragmentacije i stabilnost pojedinih fragmenata, te utjecaj centralnog etilendioksitiofenskog dijela na formiranje bioloaki aktivnih metabolita i na ukupnu stabilnost spoja. [1] I. Stoli, I. Bratoa, G. Kova evi, M. Baji, "Fragmentation of diamide derivatives of 3,4-ethylenedioxythiophene" Rapid Commun. Mass Spectrom. 26 (2012) 1023 1031.  z  L~ ǿǿǷǿǷǓǿLjhy*h(CJaJh<hy*5CJaJh<h<6CJaJh<hy*6CJaJhy*CJaJh<CJaJhy*hy*CJaJhp+CJaJhy*hreCJaJhy*h=z(CJaJjhy*hreCJUaJ!21h:p.. A!"#/ $/ % DyK stolic@vef.hryK Bmailto:stolic@vef.hryX;H,]ą'c-Dd z 0  # A"j>KCd'C @=}j>KCd'C(FQswG Kx[ x>3yڠ!Ab4X!! @IX &EA[ "u*Vl?0=3pߛy)dܹs{9w J)mj  ґ@ܿ(c3 Prg-e5c?l*6 l񼋈%]l|"P__tG,LܕIlv uuuni.,ٳJ&B$Xg˃PM>pΏPMN^HZ#HGf؈[j5ϓh ;֌6#ؒjMVy%3_=t5jq1=%A:8f΀v8q !m!@7HqIc۟־!?C`1]=NR̘.ocK\uI l ljh[WH6'}瓴$y-5|#wc 9~<ـgdRQ|=[\4"wmBnKP׮|u䳱AWS:fB/auZS5yE'aqQuϿ:߶~2#]Z?(nO'ŋzI':~I>O_7a>}-i9GIO_4?mEzSc>MxO+Yjdަw^CΛ,@cKXnvgaknkóؐNWn{޳ġ3H*77gL雭}Z<5;{#=g]_4?:wsvSG>^/6R}^YΫ7 ]kQHYcOn}_,C%Ӑ/xjvizEn_֋O> ʏӘԹOP@W/4h~wzJN v?GwzųEwzWk~gwz"؝;p=ٹ +끮^h~t W`%yJ0[@f'6{^h~Tt]|vf vOBhl{Z|%Ev][u[>km`䛧,@QA̵no-:Hwz.Iɷc;~Fު[m @ )}z =Rb;ƚY)pߣ4"22}Igs{ lp8[طuR'coj]~~jv~$w࣪h~.Ԣ>_~ P6@~h.E,د&`ReEeU}짲́QMTJ-i1XM)W畘0K &F/̜P7*eyl=麊}2<]9P\9)Irց-~24ܫcg%XFrՑ;$S'_9{& "o! BILgzFwUX:^J>8<10l59M-^ '.2Z:40<áݠI8514>Lii8":_<σϝeV: *IP8knʇPBߓ. t(?B|pTa}ͨ56Gbf¦u>RfL8fnlF(I1* 0†K|u 2`al9rpzrM0ۈ CCc껾štiPSn,AEjchAÜS5ksxx$G ]sttu!ԁR՞ L$h{9*й=: vE1ͮ8KkYn%e;?֥ T`a ÎK98'8sOpNddLH99'8l5 s0\= >}Vcdbe1CvSs q397;Y;Ll$nqw fŵݷv*^|ןj<(1Vo]K]y/a2LjwpP8C_JҹfJ9 A44)pY99'8=v9t+ <,NMkaSHq\:9Åp!>ZHn#w H"HI&n7\7b8LIj+˸6Y'a T1@ Ǹő)I9[},6; ^nA/-WEx0*}Dtp~Ex3y _-2S;+_KG:a&$\')$[B'x'<ɔDS03$M*Q}jVKޞ3t2g'%:<;:IQ$)ZTKuh(@J`H;$NR Ij#*m@qG.)Df$3ro>Oq{PJhfvv#I$őxQqO0P܍VLRw@')$u'|ޅ A{'t._u)"z͠^Դ5[JZod,z;pk܄+o`ɌcM\(")iGYB`?r!)Hj KxˤB쵊:?UBe&Shui"n=;짪؂7Ͷ8t[7;նpVqfۖ5aQH?fZzdF#vb٢pǠSdX/f~,qߏ/q1Vn X.+WWأDmHOFXg/!=H;!~9~ HfDZڑAz@( 2=OxQ^8K]V^ЍfJx(3vn.Q\k26$B =te\X1^pǪC/ubA,=͎=16Yly`g$el6ư7,fvLV]qReჁ!PC7 <햢_ `C-[;p帴(:#싌=- ;8J5;[#E's3Q-Mr't߯?3{3LsYHsVg=!+e=XYn4`|5Qyt " 1pl_jǹ7~{u,K$K*S*Y(phf\@f z-Top of Form$&dPa$<CJOJQJ^JaJl]@lz-Bottom of Form$$dNa$<CJOJQJ^JaJ>oQ>  color_key_61 q 4oa4  css_maroon1ph>oq>  color_key_41 q >o>  color_key_31 q >o>  color_key_51 q ͅ?>o>  color_key_81 q DD .AA Naziv autora $@&a$n@n hrc List Paragraphd^m$ CJOJPJQJaJmH sH tH PK![Content_Types].xmlN0EH-J@%ǎǢ|ș$زULTB l,3;rØJB+$G]7O٭V$ !)O^rC$y@/yH*񄴽)޵߻UDb`}"qۋJחX^)I`nEp)liV[]1M<OP6r=zgbIguSebORD۫qu gZo~ٺlAplxpT0+[}`jzAV2Fi@qv֬5\|ʜ̭NleXdsjcs7f W+Ն7`g ȘJj|h(KD- dXiJ؇(x$( :;˹! I_TS 1?E??ZBΪmU/?~xY'y5g&΋/ɋ>GMGeD3Vq%'#q$8K)fw9:ĵ x}rxwr:\TZaG*y8IjbRc|XŻǿI u3KGnD1NIBs RuK>V.EL+M2#'fi ~V vl{u8zH *:(W☕ ~JTe\O*tHGHY}KNP*ݾ˦TѼ9/#A7qZ$*c?qUnwN%Oi4 =3N)cbJ uV4(Tn 7_?m-ٛ{UBwznʜ"Z xJZp; {/<P;,)''KQk5qpN8KGbe Sd̛\17 pa>SR! 3K4'+rzQ TTIIvt]Kc⫲K#v5+|D~O@%\w_nN[L9KqgVhn R!y+Un;*&/HrT >>\ t=.Tġ S; Z~!P9giCڧ!# B,;X=ۻ,I2UWV9$lk=Aj;{AP79|s*Y;̠[MCۿhf]o{oY=1kyVV5E8Vk+֜\80X4D)!!?*|fv u"xA@T_q64)kڬuV7 t '%;i9s9x,ڎ-45xd8?ǘd/Y|t &LILJ`& -Gt/PK! ѐ'theme/theme/_rels/themeManager.xml.relsM 0wooӺ&݈Э5 6?$Q ,.aic21h:qm@RN;d`o7gK(M&$R(.1r'JЊT8V"AȻHu}|$b{P8g/]QAsم(#L[PK-![Content_Types].xmlPK-!֧6 0_rels/.relsPK-!kytheme/theme/themeManager.xmlPK-!0C)theme/theme/theme1.xmlPK-! ѐ' theme/theme/_rels/themeManager.xml.relsPK]  .   l5CbdXX:8@0(  B S  ? DUVj=FTT`abciqyzgrBn!"-.05KMRSY[ijlMAg~sTZMN+3Affy~[bsty33WZjxy~~sTZMN+3Affy~[bsty33WZxy~~=,]}^`CJOJQJo(^`CJOJQJo(opp^p`CJOJQJo(@ @ ^@ `CJOJQJo(^`CJOJQJo(^`CJOJQJo(^`CJOJQJo(^`CJOJQJo(PP^P`CJOJQJo(=,]}2,lacVBqM O kZbyCOEW ^hrcre iIu.;<F` J@4 UnknownG*Ax Times New Roman5Symbol3. *Cx Arial7.@ Calibri?= *Cx Courier New;WingdingsA$BCambria Math"qb gfc gR '   / r4||3qHX ?J2!xx CHARACTERIZING THE FRAGMENTATION OF DIMAIDINE DRIVATIVES OF 3,4-ETHYLENEDIOXYTHIOPHENE USING TANDEM MASS SPECTRA AND DFT CALCULATIONSUserMiroslav Baji Oh+'0(4DPd |    CHARACTERIZING THE FRAGMENTATION OF DIMAIDINE DRIVATIVES OF 3,4-ETHYLENEDIOXYTHIOPHENE USING TANDEM MASS SPECTRA AND DFT CALCULATIONSUser Normal.dotmMiroslav Baji3Microsoft Office Word@vA@ά@67@De՜.+,D՜.+,l hp|  N | CHARACTERIZING THE FRAGMENTATION OF DIMAIDINE DRIVATIVES OF 3,4-ETHYLENEDIOXYTHIOPHENE USING TANDEM MASS SPECTRA AND DFT CALCULATIONS Title  8@ _PID_HLINKSA *Fmailto:Snjezana.Kazazic@irb.hrInmailto:stolic@vef.hr  !"#$%&'()*+,-./12345679:;<=>?BRoot Entry F@5eDData 1Table*WordDocument4 SummaryInformation(0DocumentSummaryInformation88CompObjr  F Microsoft Word 97-2003 Document MSWordDocWord.Document.89q