2 December 20, 2018
Articles and Statements
1. Abdelilah Benallou
Natural Bond Order Analysis of HCN→HNC Isomerization Mechanism in the Interstellar Clouds Conditions: DFT Investigation
European Journal of Molecular Biotechnology, 2018, 6(2): 69-75.
Number of views: 1099 Download in PDF
2. Valery V. Novochadov, Pavel A. Krylov, Anna A. Tikhonova, Elena A. IvantsovaEuropean Journal of Molecular Biotechnology, 2018, 6(2): 69-75.
Abstract:
The optimum geometries and quadratic force constants of HCN, HNC, intermediates (INT1 and INT2) and the transition state connecting them (CHN) have been determined at the DFT (density functional theory) level of theory. Energy differences were evaluated using the DFT method in conjunction with 6-311++g(d,p) basis set. The most reliable structure obtained for the transition state has bond distances of 1.184, 1.193 and 1.391Å for rCN, rCH and rNH, respectively. Including a correction for zero-point vibrational energies, the transition state activation energy is predicted to be 44.6kcal/mol. So the transition state of isomerization pathway is highly energetic and subsequently cannot occur efficiently in the gas phase
The optimum geometries and quadratic force constants of HCN, HNC, intermediates (INT1 and INT2) and the transition state connecting them (CHN) have been determined at the DFT (density functional theory) level of theory. Energy differences were evaluated using the DFT method in conjunction with 6-311++g(d,p) basis set. The most reliable structure obtained for the transition state has bond distances of 1.184, 1.193 and 1.391Å for rCN, rCH and rNH, respectively. Including a correction for zero-point vibrational energies, the transition state activation energy is predicted to be 44.6kcal/mol. So the transition state of isomerization pathway is highly energetic and subsequently cannot occur efficiently in the gas phase
Number of views: 1099 Download in PDF
Manganese- and Zinc-Containing Metalloproteins Have a Value in the Species Composition of Semi-Artificial Arid Phytocenoses in the Contact Zone with the Agrocenoses
European Journal of Molecular Biotechnology, 2018, 6(2): 76-82.
Number of views: 1111 Download in PDF
3. H.A. Shindy, M.A. El-Maghraby, M.M. Goma, N.A. HarbEuropean Journal of Molecular Biotechnology, 2018, 6(2): 76-82.
Abstract:
This article aims to show certain features in the frequency of individual dominant and subdominants of arid phytocenoses in the composition of technogenic intrusions, directly adjacent and negatively affecting the cultural agrocenoses. To substantiate the consort relationships of these plants with other ecosystem participants, we analyzed the fragments of their proteomes with respect to key manganese- and zinc-containing proteins. As a result, the concentration of mobile forms of manganese and zinc in the soil of arid territories was shown to be a significant forming factor for the structure of dominant and subdominant technogenic intrusions in the contact zone to agrocenoses. The presence in the composition of the proteome dominants and subdominants of these vital proteins confirms the argument about the possibility of control the population size and consort activity of such plants within the phytocenosis of technogenic intrusion. The obtained data can be used to form biotechnology for optimization of agrocenoses in the conditions of the arid zone.
This article aims to show certain features in the frequency of individual dominant and subdominants of arid phytocenoses in the composition of technogenic intrusions, directly adjacent and negatively affecting the cultural agrocenoses. To substantiate the consort relationships of these plants with other ecosystem participants, we analyzed the fragments of their proteomes with respect to key manganese- and zinc-containing proteins. As a result, the concentration of mobile forms of manganese and zinc in the soil of arid territories was shown to be a significant forming factor for the structure of dominant and subdominant technogenic intrusions in the contact zone to agrocenoses. The presence in the composition of the proteome dominants and subdominants of these vital proteins confirms the argument about the possibility of control the population size and consort activity of such plants within the phytocenosis of technogenic intrusion. The obtained data can be used to form biotechnology for optimization of agrocenoses in the conditions of the arid zone.
Number of views: 1111 Download in PDF
Synthesis, Electronic Transitions and Antimicrobial Activity Evaluation of Novel Monomethine and Trimethine Cyanine Dyes
European Journal of Molecular Biotechnology, 2018, 6(2): 83-95.
Number of views: 1078 Download in PDF
4. A. Tounsi, M.El idrissiEuropean Journal of Molecular Biotechnology, 2018, 6(2): 83-95.
Abstract:
New polyheterocyclic starting material compound namely 3, 5-dimethyl-7-phenyl-furo [(3,2-d) pyrazole;(3',2'-d) oxazole] was prepared and oriented for the synthesis of novel monomethine cyanine dyes (simple cyanine dyes), bis monomethine cyanine dyes (bis simple cyanine dyes), trimethine cyanine dyes (carbocyanine dyes) and bis trimethine cyanine dyes (bis carbocyanine dyes). The electronic transitions of all the synthesized cyanine dyes were evaluated and determined through investigating their visible absorption spectra in 95 % ethanol solution. The dyes were thought to be better electronic transitions when they absorb light at higher wavelength bands (bathochromic shifted and/or red shifted dyes). Consequently, the electronic transitions of the dyes decreases when they absorb light at lower wavelength bands (hypsochromic shifted and/or blue shifted dyes). The antimicrobial activity evaluation for a number of 10 (ten) selected compounds was tested against 4 (four) various bacterial strains (Bacillus subtilis, Escherichia coli, Pseudomona aeruginosa and Staphylococcus aureus). The antimicrobial activity evaluation can be made through measuring the inhibition zone diameter of the tested compounds against a number of bacterial and/or fungi strains. The compounds were thought to be better antimicrobial active when they give higher inhibition zone diameter against the tested bacterial and/or the fungi strains. Consequently, the antimicrobial activity of the compounds decrease when they give lower inhibition zone diameter against the tested bacterial and/or the fungi strains. Structural characterization and determination was carried out via elemental analysis, visible, mass, IR and 1HNMR spectroscopic data.
New polyheterocyclic starting material compound namely 3, 5-dimethyl-7-phenyl-furo [(3,2-d) pyrazole;(3',2'-d) oxazole] was prepared and oriented for the synthesis of novel monomethine cyanine dyes (simple cyanine dyes), bis monomethine cyanine dyes (bis simple cyanine dyes), trimethine cyanine dyes (carbocyanine dyes) and bis trimethine cyanine dyes (bis carbocyanine dyes). The electronic transitions of all the synthesized cyanine dyes were evaluated and determined through investigating their visible absorption spectra in 95 % ethanol solution. The dyes were thought to be better electronic transitions when they absorb light at higher wavelength bands (bathochromic shifted and/or red shifted dyes). Consequently, the electronic transitions of the dyes decreases when they absorb light at lower wavelength bands (hypsochromic shifted and/or blue shifted dyes). The antimicrobial activity evaluation for a number of 10 (ten) selected compounds was tested against 4 (four) various bacterial strains (Bacillus subtilis, Escherichia coli, Pseudomona aeruginosa and Staphylococcus aureus). The antimicrobial activity evaluation can be made through measuring the inhibition zone diameter of the tested compounds against a number of bacterial and/or fungi strains. The compounds were thought to be better antimicrobial active when they give higher inhibition zone diameter against the tested bacterial and/or the fungi strains. Consequently, the antimicrobial activity of the compounds decrease when they give lower inhibition zone diameter against the tested bacterial and/or the fungi strains. Structural characterization and determination was carried out via elemental analysis, visible, mass, IR and 1HNMR spectroscopic data.
Number of views: 1078 Download in PDF
The Effect of Substrate Nature Gas Diffusion Layer PTFE Content and Catalyst Layer Platinum Loading on the Performance of Low Temperature Proton Exchange Membrane Fuel Cell
European Journal of Molecular Biotechnology, 2018, 6(2): 96-106.
Number of views: 1036 Download in PDF
5. European Journal of Molecular Biotechnology, 2018, 6(2): 96-106.
Abstract:
The nature of the substrate, the content of Polytetrafluoroethylene (PTFE) and platinum (Pt) loading are the key factors to determine the heat transfer characteristics and hydrophobicity of the gas diffusion layer (GDL) and to enhance hydrogen oxidation and oxygen reduction kinetics which directly affect the performance of the proton exchange membrane fuel cell (PEMFC). Here, we carried out-of-cell studies of the effect of the nature of the substrate, carbon black and PTFE loading in the GDL on the cell performances. Performances of double layered cathodes are evaluated from the current density-voltage (i-V) characteristics of the single cell. In addition, the behaviour of Pt loading on the amount of electroactive catalyst area is studied using cyclic voltammetry (CV).
The nature of the substrate, the content of Polytetrafluoroethylene (PTFE) and platinum (Pt) loading are the key factors to determine the heat transfer characteristics and hydrophobicity of the gas diffusion layer (GDL) and to enhance hydrogen oxidation and oxygen reduction kinetics which directly affect the performance of the proton exchange membrane fuel cell (PEMFC). Here, we carried out-of-cell studies of the effect of the nature of the substrate, carbon black and PTFE loading in the GDL on the cell performances. Performances of double layered cathodes are evaluated from the current density-voltage (i-V) characteristics of the single cell. In addition, the behaviour of Pt loading on the amount of electroactive catalyst area is studied using cyclic voltammetry (CV).
Number of views: 1036 Download in PDF