Research paper

DFT (B3LYP) COMPUTATIONAL STUDY ON THE MECHANISMS OF FORMATION OF SOME SEMICARBAZONES

Author(s):

Abdulfatai Siaka, Adamu Uzairu, Sulaiman Idris, Hamza Abba

Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 74-85

Keywords: semicarbazone, kinetics, bi- and unimolecular step, transition step, spontaneity.
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DOI: dx.doi.org/10.19261/cjm.2016.11(1).10

Graphical Abstract: Thermodynamic and kinetic mechanisms of forming six semicarbazones have been investigated computationally by DFT B3LYP method. All the reactions proceed via two transitions and include two consecutive steps: bimolecular and unimolecular. The computed transition steps have varying equilibrium constants values, enthalpy of activation and Gibbs energy of activation, depending on the semicarbazone involved.

The article is Open Access by CC-BY 4.0 License

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A. Siaka, A. Uzairu, S. Idris, H. Abba. DFT (B3LYP) Computational Study on The Mechanisms of Formation of Some Semicarbazones. Chemistry Journal of Moldova, 2016, 11(1), pp. 74-85. DOI: dx.doi.org/10.19261/cjm.2016.11(1).10

Article Source: DFT (B3LYP) Computational Study on The Mechanisms of Formation of Some Semicarbazones.

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PHOTOELECTRIC PROPERTIES OF HETEROSTRUCTURES BASED ON PEPC AND MEH-PPV FILMS DOPED WITH ZINC OCTABUTYLPHTHALOCYANINE

Author(s):

Nicolay Davidenko, Irina Davidenko, Oleg Korotchenkov, Victor Kravchenko, Elena Mokrinskaya, Andrey Podolian, Sergey Studzinsky, Larisa Tonkopiyeva

Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 86-90

Keywords: organic heterostructures, MEH-PPV, metal complexes, photovoltaic effect.
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DOI: dx.doi.org/10.19261/cjm.2016.11(1).11

Graphical Abstract: Planar organic heterostructures were prepared using poly-N- epoxypropylcarbazole films and poly[2-methoxy-5-(2’-ethylhexyloxy)-1,4-phenylenevinylene] by the method of successive deposition adding 2,3,9,10,16,17,23,24-zinc octabutylphthalocyanine. Photoelectric, photodielectric and photovoltaic properties of the heterostructures were studied.

The article is Open Access by CC-BY 4.0 License

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N. Davidenko, I. Davidenko, O. Korotchenkov, V. Kravchenko, E. Mokrinskaya, A. Podolian, S. Studzinsky, L. Tonkopiyeva. Photoelectric Properties of Heterostructures Based on PEPC and MEH-PPV Films Doped with Zinc Octabutylphthalocyanine. Chemistry Journal of Moldova, 2016, 11(1), pp. 86-90. DOI: dx.doi.org/10.19261/cjm.2016.11(1).11

Article Source: Photoelectric Properties of Heterostructures Based on PEPC and MEH-PPV Films Doped with Zinc Octabutylphthalocyanine.

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BENZOYL PEROXIDE DECOMPOSITION BY NITROGEN-CONTAINING CARBON NANOMATERIALS

Author(s):

Daryna Haliarnik, Oleg Petuhov, Olga Bakalinska, Tudor Lupascu, Mykola Kartel

Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 91-96

Keywords: carbon nanomaterials, activated carbon, benzoyl peroxide, catalytic activity, Michaelis constant.
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DOI: dx.doi.org/10.19261/cjm.2016.11(1).12

Graphical Abstract: The catalytic activities of nanoporous carbon materials, their modified forms and enzyme catalase was determined by calculation of Michaelis constants according to the kinetics of substrate decomposition. It is found that the catalytic activity of studied samples correlated with surface basicity and presence of quaternary nitrogen groups in structure.

The article is Open Access by CC-BY 4.0 License

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D. Haliarnik, O. Petuhov, O. Bakalinska, T. Lupascu, M. Kartel. Benzoyl Peroxide Decomposition by Nitrogen-Containing Carbon Nanomaterials. Chemistry Journal of Moldova, 2016, 11(1), pp. 91-96. DOI: dx.doi.org/10.19261/cjm.2016.11(1).12

Article Source: Benzoyl Peroxide Decomposition by Nitrogen-Containing Carbon Nanomaterials.

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PHASE DIAGRAM OF GELATINE-POLYURONATE COLLOIDS: ITS APPLICATION FOR MICROENCAPSULATION AND NOT ONLY

Author(s):

Alexei Baerle, Olga Dimova, Irina Urumoglova, Pavel Tatarov, Larisa Zadorojnai

Field: Supramolecular chemistry
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 97-105

Keywords: protein-polysaccharides, colloids, electrokinetic potential, phase diagram, microcapsules.
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DOI: dx.doi.org/10.19261/cjm.2016.11(1).13

Graphical Abstract: Phase state and the charge of colloidal particles in the gelatine-polyuronate system were studied. A method for comparative evaluation of molecular weight of colloids by means of viscosimetric measurements and electrophoresis was developed. It is shown that the Diagram {Phase state = f (composition, pH)} contains six well-defined regions. The diagram explains and predicts the behaviour of protein-polysaccharide colloids, which are included in beverages or forms the shells of oil-containing microcapsules.

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A. Baerle, O. Dimova, I. Urumoglova, P. Tatarov, L. Zadorojnai. Phase Diagram of Gelatine-Polyuronate Colloids: Its Application For Microencapsulation and not Only. Chemistry Journal of Moldova, 2016, 11(1), pp. 97-105. DOI: dx.doi.org/10.19261/cjm.2016.11(1).13

Article Source: Phase Diagram of Gelatine-Polyuronate Colloids: Its Application For Microencapsulation and not Only.

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STUDY OF STABLE NITROGEN FORMS IN NATURAL SURFACE WATERS IN THE PRESENCE OF MINERAL SUBSTRATES

Author(s):

Petru Spataru, Igor Povar, Elena Mosanu, Ana Trancalan

Field: Ecological chemistry
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 26-32

Keywords: granite, expanded clay, calcium carbonate, ammonium, nitrite.
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DOI: dx.doi.org/10.19261/cjm.2015.10(2).02

Graphical Abstract: The influence of substrates on the oxidation of reduced toxic forms of nitrogen in river water was investigated by laboratory modelling. Granite and expended clay accelerate the oxidation of ammonium and nitrite ions from 2 to 4 times. The presence of calcium carbonate in water hinders the oxidation of nitrogen in the polluted water.

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NEW SOLVATOMORPH OF TETRAKIS(μ2-ACETATO-O,O')-BIS(ISONICOTINAMIDE-N)-DI-COPPER(II): SYNTHESIS, IR, TGA AND X-RAY STUDY

Author(s):

Diana Chisca, Eduard Coropceanu, Oleg Petuhov, Lilia Croitor

Field: Inorganic and coordination chemistry
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 33-39

Keywords: copper, isonicotinamide, X-ray, paddle-wheel structure.
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DOI: dx.doi.org/10.19261/cjm.2015.10(2).03

Graphical Abstract: Dinucleartetracarboxylato-bridged copper(II)solvato-morph [Cu2(OAc)4(ina)2] •2dmso was prepared and studied by IR spectroscopy, TGA analysis and single crystal X-ray method. Cu(II) ions are bridged by four syn,syn-η1:η1:μ carboxylates, showing a paddle-wheel cage-type with a square-pyramidal geometry.

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SYNTHESIS, CRYSTAL STRUCTURE, AND PROPERTIES OF COPPER(II) COMPLEXES WITH 1,4,7-TRIS(2-AMINOETHYL)-1,4,7-TRIAZACYCLONONANE

Author(s):

Masahiro Mikuriya, Mayu Hamagawa, Natsuki Tomioka, Daisuke Yoshioka, Naoko Uehara, Rika Fujimori, Hiroki Yamamoto, Yoshinari Ando, Shoichi Hori, Taro Kuriyama, Ryoji Mitsuhashi, Makoto Handa

Field: Inorganic and coordination chemistry
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 40-47

Keywords: copper(II) complex, magnetic properties, macrocyclic ligand, 1,4,7-triazacyclononane.
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DOI: dx.doi.org/10.19261/cjm.2015.10(2).04

Graphical Abstract: Three kinds of copper(II) complexes with 1,4,7-tris(2-aminoethyl)-1,4,7-triazacyclononane (taetacn), [Cu(taetacn)](ClO4)2 (1), [Cu(Htaetacn)](ClO4)3 (2), and [Cu(Htaetacn)](BF4)3 (3) were synthesized and characterized by elemental analyses, IR and UV-Vis spectroscopies. The spectral features are in harmony with an octahedral geometry for 1 and a square-pyramidal coordination for 2 and 3.

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MIXED-METAL PENTANUCLEAR COMPLEXES OF RUTHENIUM(II,III) CARBOXYLATE AND TETRACYANIDOPLATINATE(II)

Author(s):

Masahiro Mikuriya, Kenta Ono, Shun Kawauchi, Daisuke Yoshioka, Ryoji Mitsuhashi, Makoto Handa

Field: Inorganic and coordination chemistry
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 48-53

Keywords: dinuclear ruthenium(II,III) carboxylate, magnetic property, mixed-metal complex, tetracyanidoplatinate(II).
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DOI: dx.doi.org/10.19261/cjm.2015.10(2).05

Graphical Abstract: Mixed-metal complexes constructed from dinuclearruthenium(II,III) carboxylates and tetracyanidoplatinate(II), [{Ru2(O2CCH3)4}2Pt(CN)4]•2H2O (1) and [{Ru2{O2CC(CH3)3}4}2Pt(CN)4]•2H2O (2), were synthesized and characterized by elemental analysis and IR and UV-vis spectroscopies.

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GC-MS ANALYSIS OF THE FATTY ACID METHYL ESTER IN JAPANESE QUAIL FAT

Author(s):

Ion Dragalin, Olga Morarescu, Maria Sedcenco, Radu Marin Rosca

Field: Natural product chemistry and synthesis
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 54-57

Keywords: fatty acid methyl esters, GC-MS analysis, linoleic acid (Z,Z), oleic acid (Z), Japanese quail fat.
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DOI: dx.doi.org/10.19261/cjm.2015.10(2).06

Graphical Abstract: The accumulated as production waste fat from Faraon quail breeds has been investigated for the first time by using GC-MS technique, preventively converting it via methanolysis to fatty acid methyl esters. The test results, regarding the content of unsaturated fatty acids having a favorable to human body cis-configuration (77.8%), confirm their nutritional value and the possibility of using this fat in cosmetic, pharmaceutical and food industries.

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SYNTHESIS OF NEW NITROGEN-CONTAINING DRIMANE AND HOMODRIMANE SESQUITERPENOIDS FROM SCLAREOLIDE

Author(s):

Lidia Lungu

Field: Natural product chemistry and synthesis
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 58-61

Keywords: synthesis, sesquiterpenoids, oxime, reduction, 7-amino-drim-8(9)-ene.
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DOI: dx.doi.org/10.19261/cjm.2015.10(2).07

Graphical Abstract: The synthesis of new nitrogen-containing drimane and homodrimane sesquiterpenoids in cycle B is reported. A comparative study of the microwave (MW) assisted synthesis of drimenone versus classical conditions has been done. The drimanic and homodrimanic oximes were prepared on the base of ketones derived from commercially available sclareolide. The drimanic amine was obtained by reduction of corresponding oxime with LiAlH4. The structure of novel compounds was confirmed using IR, 1H and 13C NMR analyses.

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