Tome 52, Nos 8-9, Août-Septembre 2007
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
Key words: catalase inactivation, kinetic modelling, graph theory
2. Mihaela PUIU, Valentin MUNTEAN and Dumitru OANCEA
Modeling kinetic limitations of acetylene detonation
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
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
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
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
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
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
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
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
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
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
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
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
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)
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
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
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
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
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
Key words: formamide, direct synthesis, cyclic imides
25. Aurica FARCAŞ and Valeria HARABAGIU
Synthesis and characterization of a new conjugated polyazomethine
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
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
Key words: pyrylium perchlorates, pyridinium salts, CMC
28. Valerian DRĂGUŢAN and Francis VERPOORT
Immobilized ruthenium complexes bearing N,O-bidentate ligands
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
Key words: sol-gel process, cationic dyes, colloidal silver, hybrid materials, nanoparticles