Vol. 8 & Issue 3 ; Section A : Chemical Sciences

Date : may.2018 to July 2018

 

Synthesis, Crystal Structure, Vibrational Spectroscopy and Theoretical Studies of Catena-Poly [[Silver (I)-μ-Piperazine-Ƙ2 N: N’] Nirate]

 

Chaima Bejaoui, Iness Ameur, Najoua Derbel and Sonia Abid

[DOI: 10.24214/jcbps.A.8.3.30108]

 

  • Abstract

    A novel silver polymer {[Ag(pip)NO3]}n was synthesized and its crystal structure is determined by single crystal X-ray diffraction analyses. The title compound crystallizes in the monoclinic space group P 21/c. Its crystal structure consists of adjacent chains of formula {[Ag(C4N2H10)]+} connected through weak (N,C)−H⸱⸱⸱O interactions into the three-dimensional supramolecular framework. The DFT study is based on B3LYP/LanL2DZ of molecular structure and vibrational spectrum of this compound. Good consistency is found between the calculated and experimental frequencies

Studies on molecular structure, chemical reactivity, second order perturbation theory and first hyperpolarizability analysis of spiroconjugated TTFs

Tahar Abbaz, Amel Bendjeddou and Didier Villemin

[DOI: 10.24214/jcbps.A.8.3.30924]

  • Abstract

    We present a theoretical study of spiroconjugated TTFs 1-4 employing DFT/B3LYP method with 6-31G (d,p) basis set. A molecular electrostatic potential map (MEP), global and local reactivity descriptors have been computed to predict reactivity and reactive sites on the molecules. In addition, a detailed molecular picture and intermolecular interactions arising from hyperconjugative interactions and charge delocalization of the molecules were analyzed using natural bond orbital (NBO) analysis. The frontier molecular orbital analysis is used to determine the charge transfer within the molecules. The NLO properties were evaluated by the determination of first hyperpolarizabilities of the title compounds.

Influence of Punica Granatum plant extract on corrosion of aluminum in 1 M HCl

A.S.Fouda, Shady M. El – Dafrawy, Ali M. El-Azaly  and Eslam S. El-hussieny

[DOI: 10.24214/jcbps.A.8.3.32543]

  • Abstract

    Punica Granatum Extract (PGE) is a corrosion inhibitor used for Al alloy in 1.0 M HCl solution utilizing weight loss (WL), Tafel polarization (PP), electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) techniques. A scanning electron microscope (SEM) has utilized to determine the surface morphology for Al. The temperature influence on corrosion performance with the appending of several doses was considered in the range of 25-45 ºC by WL. PP diagrams illustrate that PGE is a mixed inhibitor. The protection efficiency (IE), increased by increasing PGE concentration and with increasing temperature of solution. Temkin’s adsorption isotherm was found to be the suitable isotherm to express adsorption of the extract on surface of Al. The activation and adsorption parameters had measured and discussed. Chemical and electrochemical techniques were utilized to get results which were found to be in good agreement.

Application of Full Factorial Design for single super phosphate production from Abu Tartur Phosphate Rocks

F. A. EL-Saied, A. E. M. Hussein, R. M. wagdy, M. H. Taha, A. M. Masoud and A. M. Hassaan

[DOI: 10.24214/jcbps.A.8.3.34460]

  • Abstract

    The multivariate 24 full factorial methodologies is used to study the effect of different parameters on the single super phosphate production using Abu Tartur Phosphate ore and sulfuric acid solutions . The full factorial design has been performed to improve the P2O5 Conversion %, for single super phosphate production. Four factors were taken into consideration in the experimental planning: acid concentration, time reaction, particle size and solid/ liquid ratio. The analysis of variance (ANOVA) has been used to determine the main effects and interactions between the studied factors. According to The optimum conditions have been determined as, acid concentration of 70 %, time reaction of 5 min, particle size of 80% finance and solid/ liquid ratio, g /ml of 1:2 .Under these optimum conditions, the P2O5 Conversion is 80.7 %.

Silica Nanoparticles/Phenol Novalac Epoxy Resin Nanocomposites via Vacuum Shock Technique: Effect of Silica Nanoparticles on Curing Kinetic

 

S. M. Mousavi S. A. Hashemi , A. M. Amani,A.S.Dashtaki ,S.A.Movahed, S. Jahandideh, A. A. Roshani Doost

[DOI: 10.24214/jcbps.A.8.3.36176]

  • Abstract

    In this study, curing kinetic of phenol novalac epoxy resin with and without presence of silica nanoparticles (SN) was evaluated. In this case, the dynamic curing process was studied by usage of diffrential scanning calorimetry (DSC) with and without addition of silica nanoparticles in 4 heating rates, 2, 5, 10 and 15°C/min. Despite of that, from DSC analysis, the reaction exotherm was processed in order to obtain the reaction kinetic data such as the degree of reaction and the rate of reaction at different times and temperatures. Besides, a suitable model was proposed to explain the reaction kinetic data obtained from experimental section. Moreover, unknown parameters of this model were determined by a nonlinear regression analysis and then it was adapted by experimental data obtained from DSC analysis. Furthermore, the activation energy for sample containing ML-506/4 wt% NS was increased with respect to the neat resin which is due to the inhibitor effect of silica nanoparticles in the cure reaction. Moreover, transmission electron microscopy (TEM) was used in order to investigate the dispersion quality of silica nanoparticles within the mixture.

Ferula Hermonis (FH) extract as a green inhibitor for resisting corrosion of stainless steel 430in hydrochloric acid solution

A.S.Fouda, H. A. Mostafa, A. F. S. Molouk, H .M. El-Saeed

[DOI: 10.24214/jcbps.A.8.3.37791]

  • Abstract

    The inhibiting influence of ferula hermonis (FH) towards the corrosion performance of stainless steel 430 (SS430) in 2.0 M HCl was planned utilizing mass reduction (MR), potentiodynamic polarization (PP), AC impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) tests. The hindrance efficiency of the extract improved with rising the dose of extract and decreases with temperature rising. The parameters obtained from thermodynamic due to corrosion and adsorption procedures have measured and debated. The adsorption of (FH) on the SS 430 surface in HCl has got to follow Langmuir isotherm. PP showed that (FH) extract plays as a mixed kind inhibitor. (EIS) data correlated with potentiodynamic polarization results. The surface tests of protected SS 430 were examined by scanning electron microscope (SEM), atomic force microscopy (AFM), and Fourier transform infrared (FT-IR).

Topological Descriptors Based Quantitative Structure Activity Relationship Study of Aromatic Amines (Biphenylamines)

P. P. Singh and Anil Kumar Prajapati,

[DOI: 10.24214/jcbps.A.8.3.39299]

  • Abstract

    QSAR study of 15 biphenylamines derivatives whose carcinogenic activity are reported in terms of log P has been made. QSAR models have been developed with the help of descriptors, connectivity index, valence connectivity index, shape index, molecular weight, accessibility surface area and molar refractivity. Seven models have been found to have high degree of predictive power with regression coefficient above 0.8034. The combination of descriptors providing the best models are log P, connectivity index, valence connectivity index and solvent accessibility area.

Thermodynamics of Cu2+, Pb2+ and Cd2+ sorption onto low molecular weight chitosan using Isothermal Titration Calorimetry (ITC)

Peter Osei Boamah

[DOI: 10.24214/jcbps.A.8.3.40006]

  • Abstract

    Chitosan and its derivatives possess valuable properties for its use as a sorbent for the removal of heavy metals from aqueous solution. In the present study, the thermodynamics of Cu2+, Pb2+ and Cd2+ sorption onto low molecular weight chitosan (CS8) using isothermal titration calorimetry (ITC) were investigated. Based on the ITC data, the stoichiometry data were 0.36±0.023, 0.813±0.015 and 0.029±0.006 for Cu2+, Pb2+ and Cd2+, respectively. The binding association constant (Ka) varied from (1.74±0.333) ×104M-1 to (17.3±18.9) ×104M-1. Also, all binding reactions to low molecular weight chitosan (CS8) were enthalpically favored and the interaction between the sorbent and the metal ions were enthalpically not driven at 25 °C. Furthermore, free energy of reaction values were all determined to be negative indicating spontaneous reactions. In conclusion, the ITC instrument was successfully used to measure directly the stoichiometry (N), binding association constant (Ka), the enthalpy change (ΔH) and the entropy change (ΔS).

Corrosion inhibition evaluation of tetraclinis articulata extract on mild steel in HCl solution

Rahma R. Mohamed, Abdel-Aziz S. Fouda, Emad E. El-Katori and Hanem A. Mostafa

[DOI: 10.24214/jcbps.A.8.3.40728]

  • Abstract

    extract doses achieving maximum inhibition efficiency more than 80% at 298K. Herein, A study of corrosion inhibition of mild steel (MS) in 1.0 M HCl by Tetraclinis articulata extract as a green inhibitor had been achieved via chemical and electrochemical methods. Open circuit potential (OCP), Potentiodynamic polarization, electrochemical impedance spectroscopy and electrochemical frequency modulation tests had been examined. Adsorption & thermodynamic activation parameters had been recorded and evaluated. Temperature effect on the mild steel corrosion inhibition in a range between 298–328 K had been evaluated. The mild steel samples surface morphology in existence and nonexistence of Tetraclinis articulata extract had been evaluated via FT-IR spectroscopy measurements, Scanning Electron Microscopy and Atomic Force Microscopy. The gained data confirmed the protective layer formed on mild steel surface and demonstrated that the compounds which had been found in Tetraclinis articulata extract act as an effective and good inhibitors. Tafel curves demonstrated that the tested compound proceeds as a mixed-type inhibitor. The adsorption mode of Tetraclinis articulata extract had been matched with the Temkin adsorption isotherm model. The inhibition efficiency (IE%) had been found to improve with improvement of Tetraclinis articulata

Formulation and evaluation of Floating microshpheres of famotidine using different polymers

Manoj Goyal, Bineeta Dwevedi and Paras Sharma

[DOI: 10.24214/jcbps.A.8.3.42940]

  • Abstract

    Famotidine, a histamine H2 receptor antagonist is absorbed only in the initial part of gastro intestinal (GI) tract and has less bioavailability. Hence the drug was formulated as gastro-retentive drug delivery systems in the form of Floting microspheres to prolong its residence time in the stomach and improve its absorption. Floating microspheres of famotidine was prepared by emulsion solvent evaporation method. To prepare and evaluate floating microspheres consisting of (i) Cellulose acetate pthelet (CAP) as porous carrier; (ii) famotidine and (iii) hydroxypropyl methylcellulose (HPMC) and ethylcellulose (EC) as polymers. The floating microspheres were evaluated for particle size, micromeritic properties, percent drug content, in vitro floating behaviour, and in vitro drug release. The % yield of formulations (FM1 to FM9) was found to be in the range of 79.51 ± 3.71 to 93.48 ± 0.94 %. Percentage drug content of floating microspheres formulations (FM1 to FM9) was found in the range of 77.25 ± 0.36 to 86.14 ± 2.04 %. In Vitro Buoyancy percentage of the microspheres was found to be 97.5 ± 1.53 %. At pH 1.2, the best formulation FM4 showed maximum drug release (99.36 ± 1.14 %) at the end of 12 hr. The SEM photographs of formulation FM4 showed that the fabricated microspheres were spherical with a smooth surface and exhibited a range of sizes within each batch. The results suggested that CAP is a useful carrier for the development of floating and sustained release preparations. The results suggested that CAP is a useful carrier for the development of floating and sustained release preparations.

Performance of azafuramidine derivatives as new corrosion inhibitors for CS in acid environment: The Experimental and Quantum chemical studies

A. S. Fouda, M. A. Ismail, M. N. EL-Haddad, A. Abd Elgyed

[DOI: 10.24214/jcbps.A.8.3.44168]

  • Abstract

    Three azafuramidine derivatives (AZFD) as new inhibitors for the corrosion of carbon steel (CS) in acidic solution has been examined by mass loss (ML), atomic absorption spectroscopy (AAS) and electrochemical techniques. The results demonstrated that these new (AZFD) act as good inhibitors for the corrosion of CS in acidic media. The inhibition efficiency (% €) increased as the inhibitor concentrations increases. Potentiodynamic polarization (PP) study showed that (AZFD) may be classified as mixed-type inhibitors. The) adsorption of(AZFD)on metal surface showed a Langmuir isotherm route. The surface analysis of the CS was investigated using ATR-FTIR, UV/visible spectroscopy and AFM analysis. Surface analysis of CS revealed formation of a protective adsorbed surface layer composed of (AZFD). Quantum chemical calculations of the azafuramidine derivatives molecules were computed and discussed.

Vitex agnus castus plant extract as Safe corrosion inhibitor for carbon steel 1018 in 1M hydrochloric acid

A.S. Fouda, G.Y.El-Ewady1, H.M.El-Abbasy, S.M. Zidan

[DOI: 10.24214/jcbps.A.8.3.46991]

  • Abstract

    The corrosion inhibition effectiveness of "Vitex agnus castus"(VAC) as corrosion inhibitor for carbon steel (CS) 1018 in 1.0 M HCl was confirmed using chemical and electrochemical methods. The data resulted from the measurements indicated that the inhibition efficiency (%IE) is dependent on both temperature and concentration of the extract. Tafel polarization (TP) data indicated that the extract behaves as mixed kind inhibitor. Langmuir’s adsorption isotherm was found to be the best fit. Morphology of the surface was examined using scanning electron microscopy (SEM), Fourier transform infrared (FTIR) and atomic force microscopy (AFM) which confirmed the existence of a protective film of extract molecules on CS 1018 surface