Nos 11-12 Novembre-Décembre 2010

Tome 55, Novembre-Décembre 2010

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

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1. 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

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

2. 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

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

3. 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@Bi104+

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

4. 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)

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Key words: photochemistry, DFT caclulations, chromium

5. Rong ZOU, Nan LI, Guoliang LI, Bin PENG, Qiong LUO and Qian-Shu LI

Structures and stabilities of B9, B9+ and B9- clusters

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

6. Dragos HORVATH

Quantitative structure-activity relantionships: in silico chemistry or high tech alchemy?

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

7. 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

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

8. 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=C6H3iPr2-2’,6’;C6H4Me-4’], Bu2SnCl2(L) and [{Me2SnCl}2(L)]2 [L=OC(Me)CHC(Me)NH(C6H3iPr2-2’,6’)-4]

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

9. 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

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

10. 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

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

11. Dan RUSU, Oana BĂBAN, Ioan HAUER, Delia GLIGOR, Leontin DAVID and Mariana RUSU

Synthesis and characterization of the potassium 11-tungstovanado(IV) phosphate

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

12. Lidia VARVARI and Ionel Cătălin POPESCU

New method for antioxidant activity evaluation using a H2O2 amperometric sensor

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

13. Codruţa VARODI, Ocsana AXUC, Sorina CIORCERI, Delia GLIGOR, Ionel Cătălin POPESCU and Liana Maria MUREŞAN

Biosensor based on ascorbate oxidase for ascorbic acid determination

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

14. 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

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

15. 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

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

16. 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

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

17. 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)

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

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18. 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

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

19. Anamaria TEREC, Elena BOGDAN, Crina CISMAŞ and Ion GROSU

Selective bromination reaction of some bis(1,3-dioxan-2-yl)alkanes

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

20. 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

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

21. 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

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

22. Constanţa IBĂNESCU, Maricel DANU, Alina NANU, Maria LUNGU and Bogdan C. SIMIONESCU

Stability of disperse systems estimated using rheological oscillatory shear tests

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

23. 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

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

24. 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)]

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

25. Mariana-Dana DĂMĂCEANU, Radu-Dan RUSU, Maria BRUMĂ and Alexander RUSANOV

Fluorinated heterocyclic polyperyleneimides

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Key words: polyperyleneimides, 1,3,4-oxadiazole, hexafluoroisopropylidene, high thermal stability, photoluminescence

26. Tinca BURUIANĂ, Violeta MELINTE, Gabriela HITRUC and Emil C. BURUIANA

Novel polyalkenoates functionalized with photopolymerizable groups. Synthesis, characterization and testing in dental formulations

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

27. Corneliu HAMCIUC, Elena HAMCIUC, Irina BACOŞCĂ and Lidia OKRASA

Thermal and electrical properties of some hydroxy- containing imide type polymers

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

28. Alexandru CECAL, Doina HUMELNICU and Karin POPA

The effect of α-radiolyis on the U(IV)/ U(VI) ratio in uranium-bearing ores

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

29. 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

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

30. 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

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Key words: oxadiazoles, heterocycles, cycloadition, hydrogenation

31. 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

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

32. Viorica PARVULESCU, Mihaela MUREŞEANU, Aurora REISS, Ramona ENE and Soong-Hyuck SUH

Metal-organic hybrids obtained by functionalization of mesoporous silica

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

33. Viorel CHIHAIA, Emil SLUSANCHI, Alexandru HERISANU, Petru PALADE and Nicolae TAPUS

High performance computing infrastructure for materials science

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


Green synthetic strategies of oxide materials: polysaccharides-assisted synthesis. Part II. Starch- assisted synthesis of nanosized metal-oxides

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Key words: starch, nanosized materials, soft chemistry methods

35. Emilian GEORGESCU, Florentina GEORGESCU, Constantin DRĂGHICI, Miron T. CĂPROIU and Florea DUMITRAŞCU

1-naphthoyl-pyrrolo[1,2-a]quinolines from quinolinium N-ylids

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Key words: quinolinium N-ylides, 1,3-dipolar cycloaddition, pyrrolo[1,2-a]quinolines

36. Lorena Ivona ŞTEFAN, Alina NICOLESCU, Simona POPA, Maria MOŢA, Eugenia KOVACS and Calin DELEANU

1H-NMR urine metabolic profiling in type 1 diabetes mellitus

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Key words: diabetes, urine, metabolites, NMR spectroscopy


Experimental and theoretical study on the photophysical properties of a pyrrolyl-isoxazole derivative

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

38. Dumitru TIŢA, Adriana FULIAŞ, Bogdan TIŢA, Gabriela VLASE, Titus VLASE and Nicolae DOCA

Thermal behaviour of active compounds versus pharmaceutical compounds for some benzodiazepine

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

39. Michaela Dina STĂNESCU, Florian HARJA, Cristina MOSOARCA and Alina D. ZAMFIR

Biogenic amines fingerprints evidenced by performant MS analysis

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

40. Petronela Maria PETRAR, Gabriela NEMES, Raluca SEPTELEAN, Luminita SILAGHI-DUMITRESCU and Jean ESCUDIE

Exploring the structure of arsaallene ylides – a theoretical approach

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

41. Index of authors

Biosensor based on ascorbate oxidase for ascorbic acid determination

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42. Index of subjects

Spectroscopic and crystal structure investigation of a new bismuth(III) containing polyoxometalate cluster

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