Revue Roumaine de Chimie, 2010, 55(11-12), 717-1092

REVUE ROUMAINE DE CHIMIE (ROUMANIAN JOURNAL OF CHEMISTRY) Tome 55, Nos 11-12 Novembre-Décembre 2010

In memoriam Professor Ioan SILAGHI-DUMITRESCU (1950 – 2009)

Rev. Roum. Chim., 2010, 55(11-12), 727-740

PAPERS

Liviu BOLUNDUT, Ionel HAIDUC, Gabriele KOCIOK-KÖHN and Kieran C. MOLLOY Supramoleculary self-assembly in the lead(II) bis(di-iso-butylthiophosphate). 1,10-phenanthroline aduct, Pb[S2P(OBui)2]2 · Phen Rev. Roum. Chim., 2010, 55(11-12), 741-746

Key words: self-assembly, supramolecular self-assembly, X-ray structure, lead, dithiophosphate

Guoliang LI, Qian-Shu LI, Yaoming XIE, R. Bruce KING and Henry F. SCHAEFER III Decarbonylation of P2Co2(CO)6, a binuclear cobalt carbonyl derivative of diphosphorus Rev. Roum. Chim., 2010, 55(11-12), 747-753

Key words: cobalt, diphosphorus, metal carbonyls, density functional theory

R. Bruce KING, Ioan SILAGHI-DUMITRESCU and Matei-Maria UTA Ten-vertex clusters of germanium, tin and lead containing interstitial nickel, palladium and platinum atoms with 26 skeletal electrons: isovalent analogues of the know Pd@Bi10

4+ Rev. Roum. Chim., 2010, 55(11-12), 755-763

Key words: metal clusters, group 14 elements, transition metals, density functional theory

718

Wyat A. THORNLEY and Thomas E. BITTERWOLF Matrix photochemistry and DFT investigation of anionic (η5-C5H5)Cr(CN)3. Indirect observation of 13- S = 3/2 Cr(III) Rev. Roum. Chim., 2010, 55(11-12), 765-769

Key words: photochemistry, DFT caclulations, chromium

Rong ZOU, Nan LI, Guoliang LI, Bin PENG, Qiong LUO and Qian-Shu LI Structures and stabilities of B9, B9

+ and B9- clusters

Rev. Roum. Chim., 2010, 55(11-12), 771-782

Key words: density functional theory, Ab initio method, boron cluster, structure, stability

Dragos HORVATH Quantitative structure-activity relantionships: in silico chemistry or high tech alchemy? Rev. Roum. Chim., 2010, 55(11-12), 783-801

? P3

?P3

P1

P2(A)

(B)

Key words: quantitative structure activity/property relationships, machine learning, in silico drug design, model over interpretations, cognitive delusions

Maria COROS, Dan DOMIDE, Mircea VLASSA, Albert SORAN and Cristian SILVESTRU New N-substituted polyamines. Synthesis, characterization and crystal and molecular structure of 2-[{C6H4(CO)2NCH2CH2}2NCH2]C6H4Br

Rev. Roum. Chim., 2010, 55(11-12), 803-810

Key words: branched polyamines, solution NMR spectroscopy, molecular structure

Carmen COMŞA, Adina CRISTEA, Richard A. VARGA and Cristian SILVESTRU Organotin(IV) complexes of β-ketimines. Crystal and molecular structure of OC(Me)CHC(Me)NHR-4[R=C6H3

iPr2-2’,6’;C6H4Me-4’], Bu2SnCl2(L) and [{Me2SnCl}2(L)]2 [L=OC(Me)CHC(Me)NH(C6H3

iPr2-2’,6’)-4] Rev. Roum. Chim., 2010, 55(11-12), 811-822

Key words: organotin adducts, β-ketimine ligands, solution NMR spectroscopy, molecular structure

719

Adina ROTAR, Ancuta COVACI, Alexandra POP and Anca SILVESTRU New triarylphosphane chalcogenides. Crystal and molecular structure of [2-(Me2NCH2)C6H4]3P=E (E = S, Se) and [2-(Me2NCH2)C6H4]2PhP=S Rev. Roum. Chim., 2010, 55(11-12), 823-829

Key words: triarylphosphane chalcogenides, crystal and molecular structure, NMR spectroscopy

Valentin ZAHARIA, Manuela CURTICAPEAN, Nicolae PALIBRODA, Mircea VLASSA and Anca SILVESTRU Heterocycles 22. Synthesis, characterization and evaluation of antimicrobial potential of some new sulfonylhydrazino-thiazoles Rev. Roum. Chim., 2010, 55(11-12), 831-841

Key words: sulfonylhydrazinothiazoles, acylation reaction, structural characterization, antimicrobial

Dan RUSU, Oana BĂBAN, Ioan HAUER, Delia GLIGOR, Leontin DAVID and Mariana RUSU Synthesis and characterization of the potassium 11-tungstovanado(IV) phosphate

Rev. Roum. Chim., 2010, 55(11-12), 843-850

Key words: polyoxometalate, vanadium(IV), electronic spectroscopies, vibrational spectroscopy, cyclic voltammetry

Lidia VARVARI and Ionel Cătălin POPESCU New method for antioxidant activity evaluation using a H2O2 amperometric sensor

Rev. Roum. Chim., 2010, 55(11-12), 851-857

-0.7 0.0 0.7 1.4-0.6

-0.4

-0.2

0.0

0.2

0.4

E (V/Ag/AgCl,Cl-sat)

I (m

A)

Key words: Prussian Blue, H2O2 detection, ascorbic acid, antioxidant activity

Codruţa VARODI, Ocsana AXUC, Sorina CIORCERI, Delia GLIGOR, Ionel Cătălin POPESCU and Liana Maria MUREŞAN Biosensor based on ascorbate oxidase for ascorbic acid determination Rev. Roum. Chim., 2010, 55(11-12), 859-864

320

640

100

200

300

1.25

2.50

S

/ µA

M-1

% GA U AOx / cm -2

Key words: ascorbic acid, ascorbate oxidase, oxygen electrode, amperometric biosensor

720

Adrian PATRUT, Hartmut BÖGGE, Edit FORIZS, Dan RUSU, Daniel A. LOWY, Dragos MARGINEANU and Adriana NAUMESCU Spectroscopic and crystal structure investigation of a new bismuth(III) containing polyoxometalate cluster

Rev. Roum. Chim., 2010, 55(11-12), 865-870

Key words: polyoxometalate, metal cluster, bismuth, FTIR spectroscopy, X-ray structure

Cornelia MAJDIK, Silvia BURCĂ, Cerasella INDOLEAN, Andrada MĂICĂNEANU, Maria STANCA, Szende TONK and Paul MEZEY Suspended and immobilized brewery waste biomass and commercial yeast as biosorbents for Cd(II) removal. A thermodynamic study Rev. Roum. Chim., 2010, 55(11-12), 871-877

Key words: Saccharomyces cerevisiae, brewery waste biomass, cadmium, biosorption, thermodynamic

Dan PORUMB, Tamás LOVÁSZ, Graţiana RĂCHITĂ, Castelia CRISTEA, Luiza GĂINĂ and Luminiţa SILAGHI-DUMITRESCU Walking on the surface of phenothiazines: a combined experimental and theoretical approach

Rev. Roum. Chim., 2010, 55(11-12), 879-884

S

N

S

HN

S

HNaza-Claisen

rearrangementCoperearrangement

Key words: 10-allyl-10Hphenothiazine, DFT B3LYP 6-31G, aza Claisen rearrangement, Cope rearrangement

Alexandra HILDEBRAND, Menyhárt B. SÁROSI, Peter LÖNNECKE, Luminiţa SILAGHI-DUMITRESCU and Evamarie HEY-HAWKINS Unsymmetrical dinuclear rhodium complexes with arsanyl- and phosphanylarylthiolato ligands [Rh(µ-S-2-Eph2C6H4-k2S,E)2Rh(cod)] (E = As, P) Rev. Roum. Chim., 2010, 55(11-12), 885-896

Key words: arsanyl- and phosphanylarylthiolato ligands, bent dinuclear rhodium complexes, d→p* interactions, DFT, NBO

Radu SILAGHI-DUMITRESCU, Matei-Maria UTA and Serghei V. MAKAROV Nitrite linkage isomerism in hemes and related complexes – modulation by metal, oxidation state, macrocycle, and medium polarity Rev. Roum. Chim., 2010, 55(11-12), 897-903

Key words: nitrite, linkage isomerism, DFT, phthalocyanine, heme, porphyrazine

721

Anamaria TEREC, Elena BOGDAN, Crina CISMAŞ and Ion GROSU Selective bromination reaction of some bis(1,3-dioxan-2-yl)alkanes Rev. Roum. Chim., 2010, 55(11-12), 905-911

Key words: bromination, 1,3-dioxanes, selectivity, NMR spectra, X-ray structure

Maria ZAHARESCU, Ligia TODAN, Luminita PREDOANA, Irina ATKINSON, Adriana RUSU, Cristian ANDRONESCU, Valentin TEODORESCU and Petre OSICEANU Binary vanadium-cerium oxide nanopowders obtained by soft chemistry

Rev. Roum. Chim., 2010, 55(11-12), 913-922

Key words: vanadium-cerium oxide powders, chemical preparation, chelating agents, electron microscopy

Geta DAVID, Irina M. JABA, Bogdan TAMBA, Catalina BOHOTIN, Andrei NEAMTU, Xenia PATRAS, Bogdan C. SIMIONESCU and Ostin C. MUNGIU Antinociceptive effect of morphiceptin loaded poly(butyl cyanoacrylate) nanoparticles Rev. Roum. Chim., 2010, 55(11-12), 923-931

Key words: morphiceptin; nanoparticles; analgesia; poly(butyl cyanoacrylate); blood-brain barrier

Constanţa IBĂNESCU, Maricel DANU, Alina NANU, Maria LUNGU and Bogdan C. SIMIONESCU Stability of disperse systems estimated using rheological oscillatory shear tests Rev. Roum. Chim., 2010, 55(11-12), 933-940

Key words: cosmetics, viscoelastic properties, sensory perception, structure stability

Luminiţa CRIŞAN, Alina BORA, Ludovic KURUNCZI, Vicenţiu VLAIA and Zeno SIMON Multiple linear regression and partial least squares QSAR modeling applied to a series of antipsychotic sertindole derivatives Rev. Roum. Chim., 2010, 55(11-12), 941-946

Key words: α1-adrenoceptor antagonists, MLR, PLS, sertindole, antipsychotic

722

Traian PASATOIU, Augustin M. MADALAN and Marius ANDRUH A new example of coexistence of two different complexes in one crystal: [{CuII(acac)(phen)}2CoII(NCS)4]· 2[CuII(acac)(phen)(NCS)] Rev. Roum. Chim., 2010, 55(11-12), 947-951

Key words: copper(II) complexes, cobalt(II) complexes, thiocyanato complexes, π- π interactions, S-S interactions

Mariana-Dana DĂMĂCEANU, Radu-Dan RUSU, Maria BRUMĂ and Alexander RUSANOV Fluorinated heterocyclic polyperyleneimides Rev. Roum. Chim., 2010, 55(11-12), 953-961

N

O

O

O

O

N N

O

O

C

CF3

CF3 O

O

N

n

Ar ArAr ArNN

O

NN

O

III

a : Ar = - b : Ar = O c : Ar = O

350 400 450 500 550 600 6500

100

200

300

400

500

IIIa IIIb IIIc

PL In

tens

ity (a

.u.)

Wavelength (nm) Key words: polyperyleneimides, 1,3,4-oxadiazole, hexafluoroisopropylidene, high thermal stability, photoluminescence

Tinca BURUIANĂ, Violeta MELINTE, Gabriela HITRUC and Emil C. BURUIANĂ Novel polyalkenoates functionalized with photopolymerizable groups. Synthesis, characterization and testing in dental formulations Rev. Roum. Chim., 2010, 55(11-12), 963-970

Key words: polyacids, methacrylate moiety, photopolymerization, dental compositions, properties

Corneliu HAMCIUC, Elena HAMCIUC, Irina BACOŞCĂ and Lidia OKRASA Thermal and electrical properties of some hydroxy-containing imide type polymers Rev. Roum. Chim., 2010, 55(11-12), 971-978

10-1 100 101 102 103 104 105 106

3.2

3.6

4.0

4.4

4.8 3a 3b 5

Die

lect

ric c

onst

ant

Frequency (Hz)

Key words: fluorinated polyimides, hydroxylic groups, good solubility, thin films, dielectric spectroscopy

723

Alexandru CECAL, Doina HUMELNICU and Karin POPA The effect of α-radiolyis on the U(IV)/ U(VI) ratio in uranium-bearing ores Rev. Roum. Chim., 2010, 55(11-12), 979-982

2HO· + UO2 → UO22+ + 2HO-

Key words: uranium ores, radiolysis, α-irradiation, uranium species, redox processes

Gheorghiţă N. ZBANCIOC, Ana Maria V. ZBANCIOC, Dorina MANTU, Anca MIRON, Cătălin TĂNASE and Ionel I. MANGALAGIU Ultrasounds-assisted synthesis of highly functionalized acetophenone derivatives in heterogeneous catalysis Rev. Roum. Chim., 2010, 55(11-12), 983-987

Key words: ultrasound, bromination, acetophenone, liquid phase, eco-friendly

Catalin-Vasile MAFTEI, Elena FODOR, Ionel I. MANGALAGIU, Peter G. JONES, Constantin-Gabriel DANILIUC, M. Heiko FRANZ and Ion NEDA Synthesis of 3-tert-butyl-5-(4-vinylphenyl)-1,2,4-oxadiazole using two different pathways Rev. Roum. Chim., 2010, 55(11-12), 989-994

Key words: oxadiazoles, heterocycles, cycloadition, hydrogenation

Cecilia LETE, Mariana MARIN, Mihaela BADEA and Alexandru C. RAZUS New composite materials used in the phenol electroanalysis. Part II. Poly(2-[(E)-2-azulene- 1-yl)vinyl]thiophene – Prussian blue Rev. Roum. Chim., 2010, 55(11-12), 995-1000

-0.8 -0.4 0.0 0.4 0.8 1.2 1.6-3.0x10-5

0.0

3.0x10-5

6.0x10-5

9.0x10-5

(a)

I/A

E/V vs Ag/AgCl

Key words: composite materials, poly(2-[(E)-2-azulene-1-yl)vinyl] thiophene, cyclic voltammetry, square wave voltammetry, phenol

Viorica PARVULESCU, Mihaela MUREŞEANU, Aurora REISS, Ramona ENE and Soong-Hyuck SUH Metal-organic hybrids obtained by functionalization of mesoporous silica Rev. Roum. Chim., 2010, 55(11-12), 1001-1008

Key words: metal-organic hybrid, mesoporous silica, functionalization, metal adsorption, catalytic oxidation

Viorel CHIHAIA, Emil SLUSANCHI, Alexandru HERISANU, Petru PALADE and Nicolae TAPUS High performance computing infrastructure for materials science Rev. Roum. Chim., 2010, 55(11-12), 1009-1015

Key words: high performance computing, materials science, Benchmarking, GAMESS, ONETEP

724

Diana VISINESCU, Alina TIRSOAGA, Greta PATRINOIU, Madalina TUDOSE, Carmen PARASCHIV, Adelina IANCULESCU and Oana CARP Green synthetic strategies of oxide materials: polysaccharides-assisted synthesis. Part II. Starch-assisted synthesis of nanosized metal-oxides Rev. Roum. Chim., 2010, 55(11-12), 1017-1026

Key words: starch, nanosized materials, soft chemistry methods

Emilian GEORGESCU, Florentina GEORGESCU, Constantin DRĂGHICI, Miron T. CĂPROIU and Florea DUMITRAŞCU 1-naphthoyl-pyrrolo[1,2-a]quinolines from quinolinium N-ylids Rev. Roum. Chim., 2010, 55(11-12), 1027-1031

N

Ar

O

E

N

ArCOCH2Br EO

EtR

R

+ +

R=H,Me,MeO; E=COMe, CO2Et, Ar=1-naphthyl, 2-naphthyl Key words: quinolinium N-ylides, 1,3-dipolar cycloaddition, pyrrolo[1,2-a]quinolines

Lorena Ivona ŞTEFAN, Alina NICOLESCU, Simona POPA, Maria MOŢA, Eugenia KOVACS and Calin DELEANU 1H-NMR urine metabolic profiling in type 1 diabetes mellitus Rev. Roum. Chim., 2010, 55(11-12), 1033-1037

1.01.21.41.61.82.02.22.42.62.8 ppm

CitCit

DMA

GABAPyr

LacAla

ValVal

Key words: diabetes, urine, metabolites, NMR spectroscopy

Iulia MATEI, Ion CHIORESCU, Sorana IONESCU, Elena MERISOR and Mihaela HILLEBRAND Experimental and theoretical study on the photophysical properties of a pyrrolyl-isoxazole derivative Rev. Roum. Chim., 2010, 55(11-12), 1039-1046

Key words: pyrrolyl-isoxazole derivative, photophysical properties, potential energy surface

725

Dumitru TIŢA, Adriana FULIAŞ, Bogdan TIŢA, Gabriela VLASE, Titus VLASE and Nicolae DOCA Thermal behaviour of active compounds versus pharmaceutical compounds for some benzodiazepine

Rev. Roum. Chim., 2010, 55(11-12), 1047-1052

Diazepam (Valium) Nitrazepam Oxazepam

HN

N

O

O2N

HN

NCl

O

H

ON

NCl

OH3C

Key words: thermal behaviour, active compounds, kinetic study, benzodiazepines

Michaela Dina STĂNESCU, Florian HARJA, Cristina MOSOARCA and Alina D. ZAMFIR Biogenic amines fingerprints evidenced by performant MS analysis Rev. Roum. Chim., 2010, 55(11-12), 1053-1059

R-CH2CH2NH3

+ → R-CH2CH2+

N

NH OH

H2N (CH2)3R = ; ;

Key words: biogenic amines, chip-based nanoelectrospray ionization mass spectroscopy

Petronela Maria PETRAR, Gabriela NEMES, Raluca SEPTELEAN, Luminita SILAGHI-DUMITRESCU and Jean ESCUDIE Exploring the structure of arsaallene ylides – a theoretical approach

Rev. Roum. Chim., 2010, 55(11-12), 1061-1072

Key words: arsa(V)allenes, arsa(V)phosphaallenes, DFT, NBO analysis

Index of authors Rev. Roum. Chim., 2010, 55(11-12), 1073-1085

Index of subjects Rev. Roum. Chim., 2010, 55(11-12), 1087-1092