Chemistry Journal of Moldova

Physical chemistry and chemical physics

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

Cite this article as:
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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Author(s):

Mohammad Taghi Taghizadeh, Morteza Vatanparast, Saeed Nasirianfar


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 77-88
Keywords: oxaziridine, DFT, Fukui function, vertical ionization energy, adiabatic ionization energy.
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DOI:
dx.doi.org/10.19261/cjm.2015.10(2).10

Graphical Abstract:
 Oxaziridine [c-CH3NO (X1A)], c-CH2NO (X2A) radicals and Cl, NH2 and methyl derivatives of oxaziridine structures have been optimized via DFTB3LYP level of theory using 6-311++G (d, p) basis set. Population analysis had been carried out. Vertical ionization energy (VIE) and adiabatic ionization energy (AIE), Fukui indices and some quantum chemical parameters were calculated. N-O bond was determined as weakest bond in oxaziridine triangle. The effect of electron withdrawing and electron donating groups on stability of weakest bond were assessed.



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Author(s):

Mohammad Taghi Taghizadeh, Morteza Vatanparast, Saeed Nasirianfar


Field: Physical chemistry and chemical physics
Type:
Issue: 2015 Volume 10, no.2
Pages: 99-108
Keywords: oxaziridine, DFT, Fukui function, vertical ionization energy, adiabatic ionization energy.
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Graphical Abstract: Supplementary material contains Tables S1 to S9 and Figures S1 to S4.


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Author(s):

Lilia Anghel


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 71-75
Keywords: lactoferrin, ionizable residues, protonation, continuum electrostatics.
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DOI:
dx.doi.org/10.19261/cjm.2015.10(1).10

Graphical Abstract:
 In this study, the protonation states of ionizable groups of human lactoferrin in various conformations were investigated theoretically, at physiological pH (7.365). These calculations show that the transition of the protein from a conformation to another one is accompanied by changes in the protonation state of specific amino acid residues. 


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Author(s):

Tatiana Goreacioc


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 76-83
Keywords: active carbon, oxidation, surface properties, thermal analysis, infrared spectroscopy.
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DOI:
dx.doi.org/10.19261/cjm.2015.10(1).11

Graphical Abstract:  
The surface chemistry of the commercial active carbon AG-5 has been modified by oxidation with concentrated nitric acid. The structural changes caused by oxidative treatment were estimated on the basis of nitrogen adsorption-desorption isotherms and thermal analysis. Boehm titration method and infrared spectral analysis have been used in order to evaluate surface chemistry characteristics of active carbon samples.


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Author(s):

Dumitru Sirbu


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 84-88
Keywords: ferrocene, terpyridine, Mӧssbauer, Debye temperature.
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DOI:
dx.doi.org/10.19261/cjm.2015.10(1).12

Graphical Abstract:
 57Fe Mӧssbauer spectra were recorded for 1'-terpyridine ferrocenecarboxylic acid and [bis(1'-terpyridine ferrocenecarboxylic acid) Fe(II)]2+ in the temperature range 7 – 293 K. The temperature dependence of the Quadrupole Splitting, Isomer Shift and Debye-Waller factor are discussed. The Debye temperature, θD, for the iron nuclei in the investigated compounds was determined.


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Author(s):

Mikhail Gorbachev, Natalia Gorinchoy, Ion Arsene


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 89-94
Keywords: antioxidant activity, DPPH*, dihydroxyfumaric acid, dimethyl ether of dihydroxyfumaric acid, DFT calculations.
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DOI:
dx.doi.org/10.19261/cjm.2015.10(1).13

Graphical Abstract:
 The preferred mechanism of the reaction of dihydroxyfumaric acid and its dimethyl ether with the free stable radical 1,1-diphenyl-2-picrylhydrazyl (DPPH*) was revealed by means of Density Functional Theory (DFT) calculations. The proposed mechanism has an ionic character and includes the formation of charge-transfer complexes as the main stage. It is also shown that the lower antioxidant activity of dimethyl ether of dihydroxyfumaric acid is caused by both its lower acidity (as compared with its precursor acid) and formation of more stable intermediates during its reaction with DPPH*. Our results allow one to rationalize the available experimental data.


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Author(s):

Oleg Petuhov


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 95-103
Keywords: activated carbon, walnut shells, microwave radiation, experimental design, analysis of variance.
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DOI:
dx.doi.org/10.19261/cjm.2015.10(1).14

Graphical Abstract: 
This paper reports on the preparation of activated carbon from walnut shell. Orthogonal array experimental design method was used to optimize the preparation of activated carbon with phosphoric acid by using microwave treatment. The optimization parameters were: microwave power, activation time, phosphoric acid concentration and particle sizes of nut shells. Thermal analysis of the intact and impregnated with phosphoric acid walnut shells was used for the simulation of activation process. Activated carbon with the optimal parameters was obtained, being characterized by gas adsorption method and scanning electron microscopy.

 


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Author(s):

Alexandru Gonta


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 104-112
Keywords: oxidation, tannins, free radical, chemiluminescence.
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Abstract (PDF)

DOI:
dx.doi.org/10.19261/cjm.2015.10(1).15

Graphical Abstract:
 After modification of enotannins, flavonols monomer units could be obtained with polyfunctional properties. Moreover, polyphenols are known to generate H2O2 and other ROS under alkaline conditions. ROS generation and catalytic influence of ferrous ions enhance the chemiluminescence light. Therefore in this work, Tox/Tris-Edta/Fe2+ ions have been used for screening luminescent properties of oxidized tannins.



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Author(s):

Mihail Iovu, Marius Enachescu, Ion Culeac, Victor Verlan, Stefan Robu, Dionezie Bojin, Iurie Nistor, Ion Cojocaru


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2014 Volume 9, no.2
Pages: 74-79
Keywords: nanocomposite, polymer matrix, photoluminescence, exciton
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DOI:
dx.doi.org/10.19261/cjm.2014.09(2).11

Graphical Abstract:
 We present experimental results on copolymer-based nanocomposite made of styrene with butyl methacrylate (1:1) and inorganic semiconductor CdS. Thin film composite samples have been characterized by UV-Vis absorption and photoluminescent spectroscopy, as well as by transmission electron microscopy.


Downloads: 56