Abs-12-2009

Pol ish J. Chem., 83, 2043–2049 (2009)
IN OR GANIC CHEM IS TRY
Syn the sis, Char ac ter iza tion and Anti-in flam ma tory
Ac tiv ity of Some Organotin(IV) Com plexes
by W. Rehman1*, S. Rehman3, B. Mu ham mad1, S.T. Shah1,
I. Tauseef 2 and C.-Y. Guo4
1De part ment of Chem is try, Hazara Uni ver sity, Mansehra, Pa ki stan 2De part ment of Mi cro bi ol ogy, Hazara Uni ver sity, Mansehra, Pa ki stan 3Ayub Med i cal Col lege, Abbottabad, Pa ki stan 4In sti tute of Chem is try, Chi nese Acad emy of Sci ences, Beijing 100080, P. R. China (Re ceived May 15th, 2009; re vised manu script July 30th, 2009) The syn the sis and char ac ter iza tion of new co or di na tion com pounds of some orga -notin(IV) chlo rides with fexofenadine are re ported; the ligand mol e cules ap pear to bebound to the tin atom through car bonyl ox y gen atom. The struc ture of the syn the sizedcom pounds has been char ac ter ized by el e men tal anal y ses, and bond ing in these com -plexes is dis cussed in terms of their IR, 1H NMR and through Mössbauer stud ies. Thespec tro scopic re sults ob tained are in full agree ment with the pro posed 1:1 stoichiometry.
The syn the sized com plexes have been screened for anti-in flam ma tory ef fect. The re sultsob tained showed that triphenyltin(IV) de riv a tives of fexofenadine ex hib ited prom is inganti-in flam ma tory ef fect as com pared to the other tin(IV) de riv a tives of the same ligand.
Key words: fexofenadine, spec tra, anti-in flam ma tory, organotin, co or di na tion
Pol ish J. Chem., 83, 2051–2065 (2009)
Syn the sis, Char ac ter iza tion and An ti bac te rial Ac tiv ity
of Triorganotin(IV) Com plexes of 4-Methylphenol
by Neeraj Sharma*, V. Kumar, M. Thakur, M. Kumari and S.C. Chaudhry
De part ment of Chem is try, Himachal Pradesh Uni ver sity, Sum mer Hill, Shimla-171005, In dia *e-mail: neerajsharma_univ@ya hoo.co.in (Re ceived April 27th, 2009; re vised manu script Au gust 29th, 2009) The triorganotin(IV) com plex of com po si tion Ph3Sn(OArMe-4) has been syn the sized ingood yields by the re ac tion of Ph3SnCl with Me3SiOArMe-4/NaOArMe-4, while com -plexes of com po si tion Me3Sn(OArMe-4) and n-Bu3Sn(OArMe-4) (where –OArMe-4 =–OC6H4CH3-4) have been ob tained from the re ac tion of Me3SnCl and n-Bu3SnCl with4-methylphenol in the pres ence of triethylamine in car bon tet ra chlo ride. The com plexeshave been char ac ter ized by el e men tal anal y ses, mo lar con duc tance mea sure ments, mo -lec u lar weight de ter mi na tion and IR, 1H and 13C NMR and mass spec tral stud ies. Ther mal be organotin(IV) com plexes have also been screened for their an ti bac te rial prop er ties andare found to ex hibit ap pre cia ble ac tiv ity. The re ac tions of the com plexes with 2-, 3-,4-cyanopyridines yielded 1:1 ad ducts as con firmed by physicochemical and IR spec traldata.
Key words: trialkyl and triaryltinchlorides, 4-methylphenol, spec tral stud ies, an ti bac te rial
ac tiv ity
Pol ish J. Chem., 83, 2067–2078 (2009)
The In flu ence of 2,2¢-Bipyridine and
1-Amino-9,10-anthraquinone Side-Arm on Complexation
Equi lib ria of Diaza-15-crown Ether in Var i ous Sol vents
by J. Kira* and T. Ossowski
De part ment of Chem is try, Uni ver sity of Gdañsk, Sobieskiego 18, 80–952 Gdañsk, Po land (Re ceived May 7th, 2009; re vised manu script Sep tem ber 10th, 2009) The in flu ence of 2,2¢-bipyridine and 1-amino-9,10-anthraquinone side-arm of diaza- 15-crown ether on sil ver(I) complexation equi lib ria has been in ves ti gated in var i ousnon-aque ous sol vents. The 2,2¢-bipyridyl res i due at tached to the ni tro gen atom of themacrocycle sig nif i cantly con trols the for ma tion of 1:1 in clu sion-type com plexes by sta -bi 1-amino-9,10-anthraquinone slightly changes the sta bil ity con stants of diaza-15-crownether com plexes and as well 1:2 metal-to-ligand com have been found, de pend ing on the type of ligand and sol vent spe cies of higher com plex ity. This has been proved by both spec tro pho to met ric and potentiometric meth -ods. Stud ies of sub sti tuted diaza-15-crown ethers were per formed for com par i son withan unsubstituted ligand.
Key words: azacrown ethers, bipyridine, equi lib rium, sil ver(I)
Pol ish J. Chem., 83, 2079–2087 (2009)
Syn the sis, Spec tral Char ac ter is tics and
Antitumor Ac tiv ity of Tungstosilicic
Polyoxometalate Con tain ing 5-Fluorouracil
by C.G. Feng1*, S.S. Wang1 and X. Liu2
1School of Mechatronical En gi neer ing, Beijing In sti tute of Tech nol ogy, Beijing 100081, P. R. China *e-mail: [email protected]; Tel.: +86-10-68912764 2Col lege of Sci ence, China Ag ri cul tural Uni ver sity, Beijing 100094, P. R. China (Re ceived March 3rd, 2009; re vised manu script Oc to ber 26th, 2009) A novel polyoxometalate com pound with 5-fluorouracil C4H4FN2O2H3SiW12O40·12H2O (FSW)was syn the sized and its struc ture was an a lyzed us ing IR spec tra, X-ray pow der dif frac -tion (XRD), 183W NMR and TG. IR spec tra and XRD in di cate that FSW has a Kegginstruc ture of heteropolyanion with a ring struc ture of 5-fluorouracil as ex pected. It wasfound by the anal y sis of the 183W NMR spec tra that the W at oms of FSW re main in thesame chem weight-los ing steps with cer tain de gree of ther mal sta bil ity. The pres ent study uses5-fluorouracil as the pos i tive con trol group in the cytotoxicity tests of FSW on hu man re -nal em bry onic cell HEK293 and the antitumor ac tiv ity tests in cer vi cal can cer cell Helaus ing the methyl thiazolyl tetrazolium method. The re sults ob tained show that the ther a -peu tic in dex of the new polyoxometalate com pound is 0.75, higher than that of 5-fluoro -uracil.
Key words: polyoxometalate, compositional char ac ter is tics, cytotoxicity, antitumor
ac tiv ity
Pol ish J. Chem., 83, 2089–2095 (2009)
Im mo bi li za tion of Catalase via Ad sorp tion onto Nat u ral
and Mod i fied Montmorillanit Analsim-Clay
by S. Alkan, T. Gür, A. Gür*, H. Uruc and H. Demir
Sci ence and Art Fac ulty, De part ment of Chem is try, Yuzuncu Yil Uni ver sity, 65100, Van, Tur key (Re ceived De cem ber 15th, 2008; re vised manu script Oc to ber 27th, 2009) Im mo bi li za tion of the en zyme catalase on nat u ral and mod i fied montmorillanit analsim- clays was in ves ti gated us ing a batch sys tem. Such an im mo bi li za tion does not re sult inen zyme in ac ti va tion and con sti tutes a valu able method for im mo bi liz ing catalase at highionic strength. In the im mo bi li za tion pro cess, the ef fect of pH, ionic strength and re ac tion tem per a ture were cho sen as pa ram e ters. Fur ther more the op ti mi za tion of im mo bi li za tioncon di tions were stud ied us ing data ob tained from ex per i men tal re sults. For the freecatalase and three dif fer ent im mo bi lized catalase en zymes, the op ti mum pH val ues 8, 7, 7and 8; re ac tion tem per a ture 30°C; ionic strength 0.25 M were found. It was de ter minedthat en zyme ac tiv ity for en zyme sup ported by nat u ral clay was 73.3%, when it was re -tained dur ing the stor age at 4°C for a pe riod of 60 days. It was ob served that stor age andop er a tional sta bil i ties of the en zyme in creased with im mo bi li za tion. The re sults ob tainedshow that montmorillanit analsim-clay is valu able and fa vour able sup port the sim ple ad -sorp tion of en zymes.
Key words: catalase, clay, im mo bi li za tion, bo vine liver
Pol ish J. Chem., 83, 2097–2104 (2009)
OR GANIC CHEM IS TRY
Syn the sis and Char ac ter iza tion of
O,O¢-Ditolyl-S-silylphosphorodithiolates
by A. Kumar, K. Kumar and S.K. Pandey*
De part ment of Chem is try, Uni ver sity of Jammu, Baba Saheb Ambedkar Road, Jammu 180 006, In dia (Re ceived April 29th, 2009; re vised manu script July 27th, 2009) Re ac tions of SiCl4 or Me3SiCl with so dium ditolylphosphorodithioates, (o-, m- orp-MeC6H4O)2PS2Na, in dif fer ent mo lar ra tios in chlo ro form un der an hy drous con di tions, re -sulted in the for ma tion of the com pounds [{(o-, m- or p-MeC6H4O)2PS2}nSiCl4-n] (n = 1 or 2)or [(o-, m- or p-MeC6H4O)2PS2SiMe3] in 74–83% yield. These col or less, oily liq uid com -pounds were char ac ter ized by el e men tal anal y sis, mo lec u lar weight de ter mi na tions, IRand NMR (1H, 13C and 31P) spec tro scopic stud ies, which re vealed an unidentate mode ofbond ing of the dithiophosphate moi ety with sil i con atom, lead ing to a P–S–Si link age.
Key words: organosilicon: phosphorodithioate, dithiophosphate, organophosphorus and
phos pho rus-sul fur
Pol ish J. Chem., 83, 2105–2111 (2009)
New Ferrocenylpyridinium Salts with Bulk
Sec ond-Or der Non lin ear Op ti cal Prop er ties
by D. Pla¿uk1, J. Zakrzewski1* and K. Nakatani2
1De part ment of Or ganic Chem is try, Fac ulty of Chem is try, Uni ver sity of £ódŸ, 90-136 £ódŸ, Narutowicza 68, Po land; *e-mail: [email protected] 2Laboratoire de Photophysique et Photochimie Supramoleculaires et Macromoleculaires (PPSM, UMR 8531) Ecole Normale Superieure de Cachan, 61, Av e nue du Pres i dent Wil son, 94235 Cachan Cedex, France (Re ceived June 30th, 2009; re vised manu script Sep tem ber 2nd, 2009) Protonation of (E)-1-ferrocenyl-2-(pyridin-4-yl)-eth yl ene with (+)-cam phor-10-sul fo -nic and pic ric acid af forded salts dis play ing high sec ond har monic gen er a tion (SHG)ef fi cien cies (70 and 10 × urea, re spec tively). Pow der X-ray dif frac tion study con firmedcrys tal li za tion of these salts in a noncentrosymmetric space group (P2). The elec tronicstruc ture of the cationic part of the salts was stud ied by the DFT method.
Key words: ferrocene, pyridinium, non lin ear op tics, sec ond har monic gen er a tion,
pow der X-ray dif frac tion, DFT
Pol ish J. Chem., 83, 2113–2118 (2009)
Fun gal Cells Permeabilization as a Con ve nient Tool of
Bioreduction Enantioselectivity Con trol
by M. Brzeziñska-Rodak*, E. ¯ymañczyk-Duda, M. Klimek-Ochab
and B. Lejczak
De part ment of Bioorganic Chem is try, Wroc³aw Uni ver sity of Tech nol ogy, 50- 370 Wroc³aw, Wybrze¿e Wyspiañskiego 27, Po land *e-mail: [email protected] (Re ceived June 30th, 2009; re vised manu script Sep tem ber 9th, 2009) The ap pli ca tion of nonionic de ter gents: Tri ton X100 and Tween 80, as permeabilizingagents was an ef fec tive tool al low ing to con trol the asym met ric hy dro gen trans fer in thebiocatalyzed, enantioselective re duc tion of acetophenone to the de sired op ti cal iso mer of1-phenylethanol. De Geotrichum candidum, af ter the Tri ton X100 was ap plied, re sulted in the for ma tion of theR-en an tio mer (79% of chem i cal yield and 72% of e.e), whereas bioreduction fol low ing theuse of Tween 80 led to the S-form of 1-phenylethanol (51% of yield and 93% of e.e).
Key words: yeasts, bioreduction, acetophenone, permeabilization
Pol ish J. Chem., 83, 2119–2127 (2009)
PHYSICAL CHEM IS TRY
DFT Cal cu la tions of the Struc ture and Ad sorp tion
of HCO- Spe cies on the Sur face of Al
2O3 Cat a lyst
by H.W. Gao1*, L. Guo2 and T.X. Yan1
1In sti tute of Wa ter shed Sci ence and En vi ron men tal Ecol ogy, Wenzhou Med i cal Col lege, Zhejiang, 325035, China, *e-mail: [email protected] 2School of Chemical Engineering, ShanDong Institute of Light Industry, Shandong, 250353, China (Re ceived March 24th, 2009; re vised manu script June 15th, 2009) Den sity func tional the ory (DFT) cal cu la tions have been car ried out to study the struc tureand ad sorp tion of HCO- spe cies on Al the dif fer ent ba sis sets of 6-31G, 6-311G, 6-311+G(d), DGDZVP, DGDZVP2, PVQZ,SDD, LANL2DZ, LANL2MB. The geo met ri cal struc tures and vi bra tion spec tra wereob tained with DFT meth ods and com pared with the cor re spond ing ex per i men tal val ues.
The o ret i cal cal cu la tions show that the cal cu lated IR spec tra us ing MPW1PW91/6-311G,MPW1PW91/SDD and MPW1PW91/LANL2DZ meth ods are in good agree ment withthe ex per i men tal spec tro scopic re sults.
Key words: DFT, vi bra tion spec tra, HCO- spe cies
Pol ish J. Chem., 83, 2129–2136 (2009)
Au/Fe3O4 and Au/Fe2O3 Cat a lysts: Physicochemical
Prop er ties and Ox i da tion of CO and Pro pane
by B. Grzybowska*1, M. Ruszel1, K. Sam son1, R. Grabowski1, N. Spiridis1,
K. Freindl1 and J. Korecki1,2
1In sti tute of Ca tal y sis and Sur face Chem is try, Pol ish Acad emy of Sci ences, 30-239 Kraków, ul. Niezapominajek 8, Po land 2Fac ulty of Phys ics and Ap plied Com puter Sci ence, AGH Uni ver sity of Sci ence and Tech nol ogy, 30-059 Kraków, al. Mickiewicza 30, Po land *cor re spond ing au thor: ul. Senatorska 25/34, 30-106 Kraków, Po land, e-mail: [email protected] Cat a lysts con tain ing Au de pos ited on Fe3O4 (com mer cial Cerac) and on Fe2O3 were syn -the sized, char ac ter ized by XPS, XRD, Mössbauer spec tros copy, H2TPR, isopropanolde com po si tion – a probe re ac tion of acid-base prop er ties, and tested in ox i da tion of COand C3H8. Au//Fe3O4 cat (g-Fe2O3) phases, was found to be more acidic con tain ing more sur face OH groups andless re duc ible than Au/a-Fe2O3 (he ma tite). The ac tiv ity in ox i da tion of CO and pro panewas higher for Au/a-Fe2O3 cat a lyst as com pared with Au/Fe3O4.
Key words: Au/FeOx cat a lysts: physicochemical prop er ties, ox i da tion of CO, ox i da tion
of propane
Pol ish J. Chem., 83, 2137–2152 (2009)
Ap pli ca tion of Mo lec u lar Descriptors to the Pre dic tion
of Re ten tion in Or ganic Sol vent Nanofiltration
by S. Koter1*, B. Gilewicz-£ukasik1, A. Nowaczyk2 and J. Nowaczyk1
1Fac ulty of Chem is try, Nicolaus Co per ni cus Uni ver sity, 7 Gagarin St., 87-100 Toruñ, Po land *e-mail: [email protected], tel. +48 56 6114318 2Fac ulty of Phar macy, Collegium Medicum in Bydgoszcz, Nicolaus Co per ni cus Uni ver sity, 9 Sklodowskiej-Cu rie St., 85-094 Bydgoszcz, Poland (Re ceived May 12th, 2009; re vised manu script July 20th, 2009) An at tempt to ap ply the mo lec u lar descriptors for the char ac ter iza tion of re ten tion of sol -utes in or ganic sol vent nanofiltration has been per formed. The descriptors were cal cu -lated us op ti mized us ing Gaussi an®. Two lin ear equa tions re lat ing the re ten tion co ef fi cient,
R, with one or two descriptors have been tested us ing two sets of sol utes. The first one
(“soft” set) con sisted of sat u rated and ar o matic hy dro car bons (data of White, J. Membr.
Sci., 205, 191 (2002)), the sec ond one (“hard” set) con tained the sub sti tuted ar o matic hy -
dro car bons with heteroatoms (data of Geens et al., J. Membr. Sci., 281, 139 (2006)). It has
been found that the “soft” set of com pounds is de scribed rea son ably well by both equa -
tions. The best descriptors be long to GET AWAY descriptors and Bur den eigen values.
Re gard ing the “hard” set of com pounds only the 2-descriptors equa tion yields a sat is fac -
tory fit ting of R. Here the 3D-MoRSE descriptors are the best for 7 of 14 mem brane-sol -
vent sys tems.
Key words: nanofiltration, or ganic sol vent, re ten tion, mo lec u lar descriptor
Pol ish J. Chem., 83, 2153–2162 (2009)
Re duc tion Study of Iron-Alu mina
Bi nary Ox ide Fe2-xAlxO3
by W.K. JóŸwiak, T.P. Maniecki, P. Mierczyñski**, K. Bawolak
and W. Maniukiewicz
Tech ni cal Uni ver sity of Lodz, In sti tute of Gen eral and Eco log i cal Chem is try, 90-924 £ódŸ, ¯eromskiego 116, Po land (Re ceived Oc to ber 22nd, 2008; re vised manu script Au gust 3rd, 2009) The com par a tive study of iron-alu mi num bi nary ox ides Fe2-xAlxO3 (where x = 2/3, 1, 4/3) re duc tion be hav ior was in ves ti gated and the ob tained bi-ox ides were char ac ter ized byTPR, TG-DTA, BET and XRD meth ods. In hy dro gen at mo sphere three step re duc tionpath way for iron-alu mi num bi nary ox ide was found. Such re duc tion be hav ior ap pearedrea son ably an a log i cal to that char ac ter is tic of he ma tite type iron(III) ox ide re duc tion3Fe2O3 ® 2Fe3O4 ® 6FeO ® 6Fe. The re duc tion for unimolar bi-ox ide Fe2-xAlxO3 (x = 1)can be ex pressed in fol low ing way: 4FeAlO3 ® 2Fe2AlO4 ® 2FeAl2O4 + 2Fe ® 4Fe butthe last step of re duc tion was not ac com plished be low 1000°C. In air FeAlO3 bi-ox ide de -com poses above 1300°C, whereas exothermal dis so ci a tion 2FeAlO3 ® a-Al2O3 anda-Fe2O3 above 770°C was con firmed in ar gon at mo sphere.
Key words: iron ox ide, iron-alu mina bi nary ox ide, bi nary ox ide, TPR-H2
Pol ish J. Chem., 83, 2163–2172 (2009)
Asym met ric p(O)–p(Triazine) Con ju ga tion
in the For mally Sym met ric
Bis(4,6-dimethoxy-1,3,5-triazinyl)
Ether in Its Crys tal Struc ture
by M.L. G³ówka1*, M. B³aszczyk1, A. Olczak1,
J.E. Kamiñska2 and Z.J. Kamiñski3
1In sti tute of Gen eral and Eco log i cal Chem is try; 2In sti tute of Gen eral Food Chem is try; 3In sti tute of Or ganic Chem is try, Tech ni cal Uni ver sity of £ódŸ, ¯eromskiego 116, 90-924 £ódŸ, Po land (Re ceived April 14th, 2009; re vised manu script Au gust 3rd, 2009) Re ported is the crys tal struc ture of a for mally sym met ric bis(s-triazinyl) ether ob tained as a by-prod uct in the acylation re ac tion of less re ac tive nucleophiles with 2-acyloxy-4,6-dimethoxy-1,3,5-tri azines. The ti tle ether shows conformational asym me try ev i -denced by dif fer ent ori en ta tions of the four methoxy groups and the two ar o matic rings inre la tion to the cen tral etheric plane. Dif fer en ti a tion of the two O–C(triazine) bondlengths of the bis(triazinyl) ether can be cor re lated with the an gles be tween s-triazinerings with the cen tral etheric plane, in di cat ing dif fer ent de gree of con ju ga tion of thetwo p-sys tems with a lone pair of the cen tral ox y gen atom. It seems that pri mary rea sonfor the ob served asym me try is crys tal pack ing, caus ing dif fer ent ori en ta tions of methoxygroups, which in turn in duced bond lengths al ter na tion in the s-triazine rings af fect ingtheir con ju ga tions with cen tral O atom through AGIBA ef fect. The ex per i men tal ob ser -va tions are in agree ment with ab in itio cal cu la tion.
Key words: bis(s-triazinyl) ether, asym met ric con ju ga tion, crys tal lo graphic asym me try
of sym met ric ethers, AGIBA ef fect
Pol ish J. Chem., 83, 2173–2187 (2009)
Frag ment-top o log i cal Descriptors for QSPR Es ti ma tion
of the Nor mal Boil ing Point Tem per a ture of Nor mal
and Branched Hy dro car bons
by J. Kozio³
De part ment of Phys i cal Chem is try, Rzeszów Uni ver sity of Tech nol ogy, 6 Powstañców Warszawy Ave., 35-041 Rzeszów, Po land Tel. +48 (0) 178651822, fax: +48 (0) 178549830; e-mail: [email protected] (Re ceived Jan u ary 20th, 2009; re vised manu script Au gust 19th, 2009) The new QSPR cor re la tion equa tion was de vel oped for the es ti ma tion of the boil ingpoints of spe cial fam i lies of al kanes. This equa tion in cludes con tri bu tions de pend ing onthe to tal num ber of car bon at oms form ing a mol e cule and the frag ment term rep re sentedas an ex plicit func tion of some ba sic top o log i cal char ac ter is tics of the mo lec u lar struc -ture. The orig i nal math e mat i cal form for de scrip tion of non-lin ear con tri bu tion is sug -gested. A five-pa ram e ter cor re la tion with the squared cor re la tion co ef fi cient R2 = 0.9993gives ex cel lent pre dic tions for 168 sat u rated hy dro car bons, with stan dard de vi a tionSD = 2 K and mean er ror of ±1.43 K. All the pa ram e ters in volved in these equa tions canbe de rived solely from the chem i cal struc ture.
Key words: QSPR, struc tural descriptors, hy dro car bons, branch ing, boil ing points
Pol ish J. Chem., 83, 2189–2193 (2009)
Con duct ing Prop er ties of Some Biomaterials
at Dif fer ent Tem per a tures and g-Ir ra di a tion
by M.S. Masoud1*, E.A. Khalil1, A. El-Khatib2 and Sh.Sh. Mohamed3
1Chem is try De part ment, Fac ulty of Sci ence, Al ex an dria Uni ver sity, P.O. Box 426 Ibrahimia, Al ex an dria 21321, Egypt 2Phys ics De part ment, Fac ulty of Sci ence, Al ex an dria Uni ver sity, Al ex an dria, Egypt 3Prosthodontics De part ment, Fac ulty of Den tistry, Al ex an dria Uni ver sity, Al ex an dria, Egypt (Re ceived Feb ru ary 6th, 2009; re vised manu script Au gust 30th, 2009) The ef fect of g-ir ra di a tion on the elec tri cal con duc tiv ity prop er ties of the biomaterialsacrylic resin and sil i con rub ber was stud ied. Con duc tiv ity data of acrylic resin are mostlyun af fected by the ex po sure of dif fer ent doses of ra di a tion. The vari a tion in the data of thesil i con rub ber is due to free rad i cal mech a nism, where the elec tri cal con duc tiv ity val uesare de creased with the in crease of the dose of g-ra di a tion. In fra red anal y sis of acrylicresin be fore and af ter g-ir ra di a tion re vealed no sig nif i cant chem i cal change. The sil i conrub ber is strongly af fected as a re sult of ir ra di a tion.
Key words: biomaterials, con duc tiv ity, tem per a ture and g-ir ra di a tion
Pol ish J. Chem., 83, 2195–2203 (2009)
Trans port of Phenanthroline Com plexes of Man ga nese(II)
Ions through Nafion Layer on Glassy Car bon Elec trode
by L. Nowak*, G. Andrijewski, D. Tomczyk and T. B³aszczyk
De part ment of Gen eral and In or ganic Chem is try, Uni ver sity of £ódŸ, 90-136 £ódŸ, ul. Narutowicza 68, Po land *e-mail: [email protected] (Re ceived June 30th, 2009; re vised manu script Sep tem ber 3rd, 2009) Ap par ent dif fu sion co ef fi cients of [Mn(phen)2(H2O)2]2+ and [Mn(phen)3]2+ in Nafionlayer on glassy car bon elec trodes were cal cu lated and dis cussed. Charge trans port mech -a nism was qual i fied on the ba sis of voltammetric and coulometric mea sure ments andcon firmed by use of the im ped ance spec tros copy. Electrocatalytic ac tiv ity against sev -eral reductants (gly col al de hyde, gly col acid and ascor bic acid) was ex am ined.
Key words: Mn(III)/Mn(II) cou ple, for mal po ten tials, mod i fied elec trodes,
phenan throline, dif fu sion co ef fi cients
Pol ish J. Chem., 83, 2205–2213 (2009)
Syn the sis and Char ac ter iza tion of a New Un sym met ri cal
Porphyrin Liq uid Crys tal and Its Metal Com plexes
by C.-F. Zhuang, X.-X. Tang, D. Wang, W.-H. Lian, A.-Q. Xia,
Y.-H. Shi* and T.-S. Shi*
Col lege of Chem is try, Jilin Uni ver sity, Changchun 130023, P.R. China *Tel/Fax.: +86 431 85168898; e-mail: cfzhuang_2008@ya hoo.com.cn (Re ceived March 25th, 2009; re vised manu script Sep tem ber 11th, 2009) Meso-sub sti tuted un sym met ri cal porphyrin liq uid crys tal, 5-(p-palmitoyloxy phe -nyl)phenyl-10,15,20-triphenyl porphyrin (PPTPPH2) and rel a tive tran si tion metal com -plexes (PPTPPM, M = Zn, Co, Mn, Cu, FeCl) were syn the sized and char ac ter ized bymeans of el e men tal anal y sis, UV-Vis, IR, MS and 1H NMR spectroscopies. Fur ther more, the ther mal sta bil i ties and flu o res cence spec tros copy of these com plexes were in ves ti -gated. The liq uid crys tal prop er ties were in ves ti gated by dif fer en tial scan ning cal o rim e -try (DSC) and po lar ized op ti cal mi cros copy (POM). The re sults re veal that the PPTPPH2shows liq uid crys tal line be hav ior with more than one mesophase and it has a low-ly ingphase tran si tion tem per a ture, which changes from 3.9 to 73.5°C.
Key words: porphyrin, tran si tion metal, flu o res cence spec tros copy, liq uid crys tal
Pol ish J. Chem., 83, 2215–2224 (2009)
Evo lu tion of Quan tum Sim i lar ity Mea sures:
How They Per form in Mod el ing Hammett Con stants
by N. Sadlej-Sosnowska
Na tional Med i cines In sti tute, 30/34 Che³mska Street, 00-725 War saw, Po land phone: +48 22 841 94 35 ext.348; e-mail: [email protected] (Re ceived June 30th, 2009; re vised manu script Sep tem ber 17th, 2009) This study was aimed at com par ing a few mea sures of sim i lar ity of carboxylic ac ids’ mol -e cules, based on the elec tronic descriptors de rived from mo lec u lar wave func tions. Fivese ries of mol e cules were in ves ti gated: ben zoic ac ids, thiophene-2-carboxylic ac ids,furane-2-carboxylic ac ids, trans-cinnamic ac ids, and 3-phenylpropionic ac ids. It hasbeen pre vi ously found that in stead of com par ing den si ties or other elec tronic prop er tiesof the en tire mol e cules, it is suf fi cient to use the prop er ties within a mo lec u lar frag ment,ac tive to wards a given re ac tion. In this vein, three mea sures have been com pared: the oneper tain ing to the prop er ties of bond crit i cal points, the one de rived from atomic po ten -tials, and that based on Fermi-hole den si ties, con fined to the COOH group. Nev er the less,it ap peared that other ways of de fin ing a sim i lar ity mea sure may also be prac ti cal, namely that based on charges of the COOH group and that based on the prop er ties of an other mo -lec u lar frag ment, i.e. the substituent and the ring car bon atom con nected to the so-calledsubstituent ac tive re gion. The cal cu la tions were car ried out at the B3LYP/cc-pVDZ level.
Key words: sim i lar ity, substituent ac tive re gion, atomic elec tro static po ten tial, bond
crit i cal point, Fermi hole, carboxylic acids
Pol ish J. Chem., 83, 2225–2238 (2009)
Frag ment-top o log i cal Descriptors for QSPR
Es ti ma tion of Nor mal Boil ing
Tem per a ture of Or ganic Ox y gen Com pounds
by J. Kozio³
De part ment of Phys i cal Chem is try, Rzeszów Uni ver sity of Tech nol ogy, 6 Powstañców Warszawy Ave., 35-041 Rzeszów, Po land Tel. +48 (0) 178651822, fax: +48 (0) 178549830; e-mail: [email protected] (Re ceived Jan u ary 20th, 2009; re vised manu script Oc to ber 9th, 2009) The new QSPR cor re la tion equa tion was de vel oped for the es ti ma tion of the boil ingpoints of three fam i lies of ox y gen con tain ing aliphatic com pounds. This equa tion in -cludes con tri bu tions de pend ing on the to tal num ber of car bon at oms form ing a mol e culeand the frag ment term rep re sented as an ex plicit func tion of some ba sic top o log i cal char -ac ter is tics of the mo lec u lar struc ture. The orig i nal math e mat i cal form for de scrip tion ofnon-lin ear con tri bu tion is sug gested. A three-pa ram e ter cor re la tion with the squared cor -re la tion co ef fi cient r2 = 0.9991 gives ex cel lent pre dic tions for 116 ox y gen ated com -pounds, with mean square de vi a tion s = 2.09 K and mean er ror of ±1.66 K. All thepa ram e ters in volved in these equa tions can be ob tained solely from the chem i cal struc -ture.
Key words: al co hols, ethers, al de hydes, ke tones, nor mal boil ing points, QSPR
Pol ish J. Chem., 83, 2239–2244 (2009)
COM MU NI CA TION
In ves ti ga tion of Ozone Syn the sis Us ing a Po rous
Emis sion Elec trode in a Cou pled Pulsed
Co rona Dis charge – Sur face Dis charge Sys tem
by S. Jodzis
War saw Uni ver sity of Tech nol ogy, Fac ulty of Chem is try, Noakowskiego 3, 00-664 Warszawa, Po land (Re ceived May 28th, 2009; re vised manu script Sep tem ber 30th, 2009) Pol ish J. Chem., 83, 2245–2246 (2009)
ROCZNIKI CHEMII – POL ISH JOUR NAL
OF CHEM IS TRY 1921 – 2009

Source: http://www.ichf.edu.pl/pjch/pj-2009/pj-2009-12a.pdf