Nos 8-9, Août-Septembre 2007

Tome 52, Nos 8-9,  Août-Septembre 2007

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Professor Victor-Emanuel Sahini

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1. Adina RĂDUCAN, Dumitru OANCEA and Eugen SEGAL

Models for irreversible inactivation in the enzymatic decomposition of hydrogen peroxide and their kinetic treatment by means of graphs

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Key words: catalase inactivation, kinetic modelling, graph theory

2. Mihaela PUIU, Valentin MUNTEAN and Dumitru OANCEA

Modeling kinetic limitations of acetylene detonation

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Key words: acetylene detonation, Chapman-Jouguet model, ZND model

3. Mirela ENACHE, Daniela BULCU, Iuliana ŞERBĂNESCU and Elena VOLANSCHI

Interaction of actinomycin D with anionic surfactant, sodium dodecyl sulphate: spectral and electrochemical investigations

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Key words: anticancer drugs, actinomycin D, surfactant, spectral and electrochemical methods

4. Aurica VÂRLAN, Sorana IONESCU, Soong-Hyuck SUH and Mihaela HILLEBRAND

Modelling of the electrochemical reduction behaviour of some dibenz[b,e]-thiepinosulphones by the DFT method

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Key words: thiepinonsulphones, reduction behaviour, DFT

5. Valentina CHIOSA, Mihaela MANEA, Ioana STĂNCULESCU and Cristina MANDRAVEL

IR spectral study on nature of 2-pyridine aldoxime methyl chloride interaction with some sterols. II. Cholestanol

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Key words: FTIR spectral study, 2-pyridine aldoxime methyl chloride, cholinesterase reactivator, cholestanol, hydrogen bonded complex

6. Minodora LECA, Lelian CIOROIANU, Gabriela CIOROIANU, Gabriela DAMIAN, Cătălina COSTEA and Ana Maria MATEI

Aqueous ecological intumescent fire retardant coatings for multifunctional applications. 1. Preparation and characterization

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Key words: intumescent fire retardant coatings, passive fire protection, expanding indices, char aspect, rheological behaviour

7. Ruxandra GHEORGHE, Jean-Pierre COSTES, Sergiu SHOVA and Marius ANDRUH

Unexpected replacement of Gd(III) and Hg(II) from an oxygen binding set leading to a heterometallic Cu(II)-Hg(II) 1-D coordination polymer

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Key words: mixed metal Gd(III)/Hg(II) complexes; coordination polymers; thiocyanato bridges

8. Josette WEINBERG, Dan A. LERNER and Constantin BĂLĂCEANU-STOLNICI

Theoretical study of DHEAS: the electronic properties of a complex between DHEAS and serotonin by comparative calculations HF and DFT

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Key words: DHEAS, Serotonin, Ab initio, DFT, NBO

9. Niculae I. IONESCU, Monica CĂLDĂRARU, Cristian HORNOIU and Cornel MUNTEANU

Overall activation energy of methanol oxidation in oscillatory regime

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Key words: Oscillations activation energy, methanol oxidation

10. Marieta BALCAN, Dan F. ANGHEL, Dan Donescu and Valerică RAICU

The retention behavior of ethoxylated nonionic surfactants in reversed-phase high performance liquid chromatographic systems

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Key words: nonionic ethoxylated surfactants, reversed-phase liquid chromatography, hydro-organic mobile phase, molar refraction, dielectric constant

11. Dan F. ANGHEL, Doina M. MIHAI, Gabriela STÎNGĂ, Alina IOVESCU, Adriana BĂRAN and Regine Von KLITZING

A study upon interaction of dodecylpyridinium chloride with sodium dextran sulfate

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Key words: cationic surfactant, surfactant-polymer interaction, solid-state surfactant-selective electrode

12. Paul Gabriel ANOAICA, Emilia AMZOI and Costinel I. LEPĂDATU

The hierarchy of the molecular descriptors and the ligand-receptor interaction

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Key words: QSAR, electronegativity, hardness, OMO – UMO quantum states, fingerprint descriptors, CADD

13. Viorel CHIHAIA, Godehard SUTMANN, Chang-Sup LEE and Soong-Hyuck SUH

Divergence-free description for molecular rotation in Cartesian coordinates: the axis-rotation formula and some its applications to computational chemistry

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Key words: axis-rotation formula; rigid-body system; axis-rotation operator; symmetry operator

14. Gabriela NEMEŞ, Luminiţa SILAGHI-DUMITRSCU, Ioan SILAGHI-DUMITRESCU, Jean
ESCUDIE, Henri RANAIVONJATOVO and Julio ZUKERMAN-SCHPECTOR

Silatropic migration in (1-trimethylsilylindenyl)(indenyl) dimethylsilane, bis(1-trimethyl-silylindenyl)dimethylsilane and related compounds

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Key words: bis(indenyl)silane, silatropic migration, molecular structure, B3LYP/6-31G(d) DFT calculations, AM1 semiempirical calculations

15. Dan RUSU, Cora CRĂCIUN, Mariana RUSU, Adrian PĂTRUŢ and Leontin DAVID

Complexes of the trilacunary Keggin arseno(V)polyoxotungstate with iron(III), cobalt(II) and nickel(II)

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Key words: polyoxometalate, metal cluster, FT-IR spectroscopy, EPR spectroscopy, paramagnetism

16. Ossi HOROVITZ, Delia GLIGOR and Ionel Cătălin POPESCU

Correlations between electrochemical activity of phenothiazine derivatives modified graphite electrodes and some structural and molecular characteristics

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Key words: phenothiazine derivatives, modified electrodes, MO calculations

17. Maria MRACEC, Ana BOROTA, Ramona RAD, Liliana OSTOPOVICI and Mircea MRACEC

QSAR analysis of a series of non-imidazolic derivatives acting on the histamine H3 receptor

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Key words: QSAR, MLR, AM1, H3 histamine receptor, disubstituted pyrrolidinic derivatives

18. Liliana OSTOPOVICI, Ramona RAD, Ana BOROTA, Maria MRACEC and Mircea MRACEC

Conformational analysis with AMBER and AM1 methods of a partial agonist, (R)-2-[(4-phenylbutylamino)-
methyl]-chroman-7-ol active on the dopaminic D2 receptor

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Key words: conformational analysis, D2 receptor, AM1 rotation barrier

19. Ramona RAD, Maria MRACEC, Liliana OSTOPOVICI, Ana BOROTA and Mircea MRACEC

QSAR study for a series of imidazo[1,5-a]-quinoxaline and pyrazolo[1,5-c]quinazoline derivatives acting on GABAA/benzodiazepine receptor

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Key words: GABAA/benzodiazepine receptor, quinoxaline and quinazoline derivatives, MTD, MLR

20. Ramona RAD, Maria MRACEC, Mircea MRACEC and Tudor OPREA

The privilege structures hypothesis for G proteincoupled receptors – some preliminary results

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Key words: cheminformatics, drug design, database, GPCR, privileged structures

21. Mihaela SCHULTZ, Maria MRACEC, Eugen SISU and Mircea MRACEC

AM1 conformational analysis of the (3S,5R,6R)-6-acetylamidodopenicillanic acid

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Key words: (3S,5R,6R)-6-acetylamidopenicillanic acid, conformational analysis, steric and electronic properties, AM1

22. Cristian NEANU, Anca LASCU and Carol CSUNDERLIK

Synthesis of benzylidene acetals of N-acetyl-Nmethyl glucamine

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Key words: aminoalditols, pseudoceramides, flash chromatography, glucosamine

23. Geta DAVID, Bogdan C. SIMIONESCU and Cristofor I. SIMIONESCU

Synthesis of polymer supported–transition metal catalysts for olefin epoxidation

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Key words: metal-polymer, polymer supported manganese catalyst, moleculary imprinting polymers

24. Constantin I. CHIRIAC, Marioara NECHIFOR and Fulga TANASĂ

Formamide, a novel challenging reagent for the direct synthesis of non-N-substituted cyclic imides

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Key words: formamide, direct synthesis, cyclic imides

25. Aurica FARCAŞ and Valeria HARABAGIU

Synthesis and characterization of a new conjugated polyazomethine

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Key words: Schiff base, rotaxane architecture, supramolecular chemistry, β-cyclodextrin

26. Camelia HULUBEI, Elena HAMCIUC and Maria BRUMĂ

New imide type polymers based on Epiclon

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Key words: alicyclic dianhydride, epiclon, thermostable polymers, solubility

27. Mariana Viorica BOGĂŢIAN, Mircea VÎNĂTORU, Gheorghe BOGĂŢIAN, Demetra NUŢĂ, Filip CHIRALEU, Valentin CÂMPEANU and Călin DELEANU

Pyrylium salts with long alkyl substituents and derived pyridinium salts having a terminal free amino group

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Key words: pyrylium perchlorates, pyridinium salts, CMC

28. Valerian DRĂGUŢAN and Francis VERPOORT

Immobilized ruthenium complexes bearing N,O-bidentate ligands

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Key words: N,O-bidentate ligands, immobilized Ru complexes, Schiff-base, ring-closing metathesis, Kharasch addition, enol-ester, atom transfer radical polymerization

29. Violeta PURCAR, Dan DONESCU, Marius GHIUREA, Cristina Lavinia NISTOR and Cristian PETCU

Silver nanodispersions in organic-inorganic filmogene hybrids

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Key words: sol-gel process, cationic dyes, colloidal silver, hybrid materials, nanoparticles

No 9, Septembre 2006

Tome 51, No 9, Septembre 2006

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International Conference of Physical Chemistry ROMPHYSCHEM – 12
September 6 – 8, 2006
Bucharest, Roumania

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1. Valeriu ATANASIU, Irina STOIAN, Bogdan MANOLESCU and Olivera LUPESCU

The glyoxalase system – a link between carbonilic stress and human therapy

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Key words: glyoxalase, α-oxoaldehydes, carbonyl stress, glyoxalase inhibitors

2. Anca DUMBRAVĂ, Victor CIUPINĂ, Bogdan JURCĂ, Gabriel PRODAN and Maria BREZEANU

Mixed complex sulfides of cadmium and iron with p-diaminobenzene as ligand

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Key words: complex sulfide, cadmium complex, iron complex, p-diaminobenzene, thiourea, thermal analysis, nanoparticles, TEM

3. Neculai FOCA and Gabriela LISA

Synthesis and characterization of mixed-ligand complexes of Cr(III), Fe(III) and Zr(IV) ions with urea and organic ligands

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Key words: chrome iron, zirconium, complex compounds with mixed ligands, thermal stability

4. Elena BÂCU, Dalila BELEI, Axel COUTURE et Pierre GRANDCLAUDON

Synthese de derivés de pyrrolo[1,2-b]pyridazine greffés sur la N-acylphenothiazine
Synthesis of pyrrolo[1,2-b]pyridazine derivatives engrafted on N-acylphenothiazine

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Key words: pyrrolo[1,2-b]pyridazine, phenothiazine, nitrogenylide, cycloadditions

5. Ali A. KHALAF, Hassan A. ALBAR and Saleh O. BAHAFFI

Modern Friedel-Crafts chemistry. Part 25. Fridel-Crafts alkylation of benzene with 3-chloro-2-(chloromethyl)-1-propene

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Key words: molecular rearrangement, dimerization, cyclialkylation, catalysis, methylphenylindans

6. Mihai V. POPA, Soong-Hyuck SUH, Ecaterina VASILESCU, Paula DROB, Cora VASILESCU and
Julia Claudia MIRZA ROSCA

Corrosion resistance modeling of a new titanium alloy in acid environments

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Key words: Ti-0.5Mo-1Ni alloy (casting and forging state), modeling of corrosion behaviour, equivalent electric circuit

7. Viorel BRÂNZOI, Florentina GOLGOVICI and Florina BRÂNZOI

Electrochemical characterization of passive films on pure aluminium electrodes in different experimental conditions

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Key words: oxide film; aggressive anion; repassivation potential; passivation; pitting corrosion

8. Mihai Cosmin COROBEA, Violeta URICANU, Dan DONESCU, Constantin RADOVICI, Sever ŞERBAN, Sorina GÂREA and Horia IOVU

Poly(vinyl acetate)-montmorillonite composites prepared via emulsion polymerization with nonionic surfactant

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Key words: composites, emulsion polymerization, polyvinylacetate, clay

9. Gabrielle Charlotte CHIŢANU, Irina POPESCU and Adrian CARPOV

Synthesis and characterization of maleic anhydride copolymers and their derivatives. 2. New data on the
copolymerization of maleic anhydride with vinyl acetate

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Key words: radical copolymerization, maleic anhydride-vinyl acetate copolymers, molecular mass

10. Ernő KISS, Tatjana VULIĆ, Andreas REITZMANN and Károly LÁZÁR

Photo-Fenton catalysis for wet peroxide oxidation of phenol on Fe-ZSM-5 catalyst

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Key words: Fe-ZSM-5 catalyst, phenol, peroxide oxidation, retardationcomposition

No 6, Juin 2006

Tome 51, No 6, Juin 2006

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Professor Petru Spacu (1906 – 1995)

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1. Oana CARP

The influence of the ligands on the thermal behaviour of solid coordination compounds

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Key words: coordination compounds, ligands, thermal behaviour

2. Ruxandra GHEORGHE, Jean-Pierre COSTES, Bruno DONNADIEU and Marius ANDRUH

A new 1-D hydrogen bond polymer constructed from a trinuclear 3d-4f tecton and 4,4’-bipyridine- N,N’-dioxide

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Key words: copper; lanthanides; hydrogen bond polymers; π-π stacking interactions

3. Laura BANCU, Oana CARP, Nicolae STĂNICĂ and Ioana JITARU

Ni(II) ternary complexes containing diimine and cysteine

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Key words: ternary Ni(II) complexes, cysteine, 2,2’-bypiridine, nickel enzyme

4. Daniela C. CULIŢĂ, Gabriela MARINESCU, Luminiţa PATRON and Nicolae STĂNICĂ

Synthesis and characterization of cobalt ferrite nanoparticles coated with dehydrocholate anions

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Key words: nanoparticles, cobalt ferrite, dehydrocholic acid, X-ray diffraction, magnetic measurementst;

Inhibition of premixed C3H6-air flames by CH2BrCl

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Key words: explosion; burning velocity; inhibition; propylene; bromochloromethane

10. Daniela Simina ŞTEFAN, Mircea ŞTEFAN and Dănuţ-Ionel VĂIREANU

Removal of Cu(II) and Zn(II) ions on corn cobs

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Key words: biosorption; corn cobs; heavy metals;, SEM, EDX

11. Daniela-Cristina MOMETE, Enrica VERNE’, Chiara Vitale BROVARONE, Giulio MALUCELLI, Marco SANGERMANO and Dan-Sorin VASILESCU

Polymeric composites for dentistry. I. Synthesis and characterization of a novel dental composite
with polymeric matrix

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Key words: dental composites; glass; photopolymerization; mechanical properties

Jednym z najczęściej kupowanych leków na zaburzenia erekcji jest tadalis, który pomaga uzyskać i utrzymać wzwód. W tej chwili trwają kolejne badania, które mają stwierdzić, aptekanapotencje czy w ich składzie chemicznym znajdują się środki, które stanowią zagrożenie dla życia i zdrowia – mówi romuald piecuch z komendy wojewódzkiej policji w poznaniu. Ryba młot thora lód w leczeniu impotencji, marka młot thora z papieru mężczyzna moc dawkowania.

No 5, Mai 2006

Tome 51, No 5, Mai 2006

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1. Violeta TUDOR, Geanina MARIN, Victor KRAVTSOV, Yurii A. SIMONOV, Miguel JULVE, Francesc LLORET and Marius ANDRUH

Supramolecular copper(II) dimers resulted from hydrogen bond interactions: synthesis, crystal structures and magnetic properties

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Key words: copper complexes, 2-aminoethanol, hydrogen bonds, thiocyanato complexes, crystal structure, magnetic properties

2. Andrei ROTARU, Bogdan JURCA, Anca MOANŢĂ, Ion SĂLĂGEANU and Eugen SEGAL

Kinetic study of the thermal decomposition of some aromatic ortho-chlorinated azomonoethers. 1.
Decomposition of 4-[(2-chlorobenzyl)oxi]-4’-triflouromethyl-azobenzene

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Key words: non-isothermal kinetics, “model-free” kinetic methods, azomonoether thermal decomposition

3. Valentin CAREJA, Mircea MRACEC, Ludovic SAYTI, Eugen SISU, Ramona TUDOSE and Zeno SIMON

Comparative study of some ionic bridges implying calcium and magnesium cations by computational
methods

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Key words: ionic bridges, glycan-glycan interactions, dissociation energies, geometry, ab initio 6-31G*

4. Camelia SUCIU, Luminiţa PATRON, Ioana MÎNDRU and Oana CARP

Nickel aluminate spinel by thermal decomposition of polynuclear malate complexes

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Key words: polynuclear malate compound, thermal decomposition, nickel aluminate, nanoparticles, XRD

5. Tudor ROŞU, Maria NEGOIU and Viorel CÂRCU

Mixed-ligand complexes. Ternary copper(II) complexes with aminoacids

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Key words: ternary complexes, amino acids, mixed ligand complexes

6. Laura BANCU, Polina BOUROSH, Ioana JITARU, Yurii A. SIMONOV and Janusz LIPKOWSKI

Synthesis and structural characterization of a new cadmium complex with cytosine

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Key words: cadmium complexes, cytosine cation, X-ray diffraction, tautomeric forms, hydrogen bonds

7. Alexandru CECAL, Anca Irena BALAN, Nicoleta MELNICIUC-PUICA and Karin POPA

Use of β-rays backscattering to study the crystallization process of simple salts from solutions

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Key words: β-ray backscattering, crystal growth, kinetic parameters

8. Michaela Dina STĂNESCU, Adina RUS, Maria GIURGINCA and Cornelia GURAN

New dibenzobicyclo[2.2.2]octane derivatives

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Key words: dibenzobicyclo[2.2.2]octane derivatives, coordinative complex

9. Horia PETRIDE, Constantin DRĂGHICI, Cristina FLOREA, Maria MAGANU and Silvia UDREA

E/Z isomerism of some diformamides

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Key words: formamides, restricted rotation, NMR spectroscopy

10. Camelia HULUBEI and Simona MORARIU

Alternating copolymers from N-(4-formylphenoxy-4’-carbonylphenil)maleimide. A comparative study

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Key words: malimide copolymers, liquid crystalline behavior

11. Simona MORARIU and Maria BERCEA

Gels based poly(ethylene oxide)-laponite mixtures

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Key words: laponite, poly(ethylene oxide), gel, viscoelastic properties

12. Irinel Adriana BADEA, Luminiţa VLĂDESCU and Arabela PATRICHI

Simultaneous determination of vitamin E and vitamin H1 by first derivative spectrometry in an ointment preparation

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Key words: α-tocopheryl acetate, para-aminobenzoic acid, first derivative UV spectrometry