Nos 11-12 Novembre-Décembre 2010
Tome 55, Novembre-Décembre 2010
In memoriam Professor Ioan SILAGHI-DUMITRESCU (1950 – 2009)
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
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
Download Art 2 Supporting Information (PDF)
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+
Download Art 2 Supporting Information (PDF)
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)
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
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?
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
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]
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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)]
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
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
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
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
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
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
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
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
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
Key words: high performance computing, materials science, Benchmarking, GAMESS, ONETEP
34. 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
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
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
Key words: diabetes, urine, metabolites, NMR spectroscopy
37. Iulia MATEI, Ion CHIORESCU, Sorana IONESCU, Elena MERISOR and Mihaela HILLEBRAND
Experimental and theoretical study on the photophysical properties of a pyrrolyl-isoxazole derivative
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
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
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
Key words: arsa(V)allenes, arsa(V)phosphaallenes, DFT, NBO analysis
41. Index of authors
Biosensor based on ascorbate oxidase for ascorbic acid determination
42. Index of subjects
Spectroscopic and crystal structure investigation of a new bismuth(III) containing polyoxometalate cluster
