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Volume 4, Issue 2, (September–October 2015)

Polyethylene Glycol Coated Nanocomposits: A gifted component for Cancer Treatment

Review Article

Journal of Chemistry and Materials Research Vol. 4 (2), 2015, 25–34

Sharda Sundaram Sanjay* and A.C.Pandey

 

 

Abstract

Nanoparticles have been extensively studied over the last decade. It is having an increasing impact in the healthcare industry, offering unprecedented capability of not only carrying multiple diagnostic or therapeutic payloads but also facilitating the targeted delivery into specific sites and across complex biological barriers. They show promising role in cancer therapy due to their small size and modifiability . They selectively access to cancerous tumor and serve many targeted functions in early detection, accurate diagnosis, chemotherapy, radiotherapy, immunotherapy, immune-detection,  thermotherapy, imaging, photodynamic therapy etc. by effectively overcoming many biological, biophysical, and biomedical barriers that the body stages against a standard. Anticancer drugs, even if they are located in the tumoral interstitium, can have limited efficacy against numerous tumor types because cancer cells are able to develop mechanisms of resistance. Simultaneous  cellular resistance to multiple lipophilic drugs is one of the most important problems in chemotherapy. Nanoparticles being  submicroscopic particles size range between 1 to 100 nm, when injected into the bloodstream able to extravasate and release the drug into the tumoral tissue, or able to diffuse  directly and target the individual tumor cell. Nanoparticles of  biodegradable polymers can provide controlled and targeted delivery of the drug with better efficacy and fewer side-effects. But the introduction of synthetic material into the body always effects  different body systems, including the defense system. The bio-compatible PEG-coated nanoparticles has given good results over the  nanoparticles  coated with conventional surfactants to obtain along-circulating carrier.

 

Key words:  Nanoparticles; Poly(ethylene glycol); Hydrogel; Thermotherapy.


Received
Received in revised
Accepted
03 August 2015
13 November 2015
13 November 2015
 

QSAR─DFT Investigations to Predict Olfactive Threshold Relations-hips for Pyrazine Derivatives

Original Research

Journal of Chemistry and Materials Research Vol. 4 (2), 2015, 35–44

A. Idrissi-Taourati, A. Adad, F. Guenoun,  T. Lakhlifi, M. Bouachrine *

 

 

Abstract

Quantitative Structure-Activity Relationship (QSAR) study was applied to the prediction of the activity of molecules based on pyrazines. The olfactive threshold activity Log(1/t ) of 40 molecules based on pyrazines were modeled using the parameters from quantum-chemical calculations at density functional theory (DFT) level (B3LYP/6‒31G (d,p)). This study was conducted using the principal component analysis (PCA) method, the multiple linear regression method (MLR), the Multiple Non Linear Regression method (MNLR), Partial Least Square analysis (PLS) and the artificial neural network (ANN). showed a correlation coefficient more than 0,9. The prediction results were in excellent agreement with the experimental values; it is expected to be beneficial to predict the activity of other compounds in the same groups.

  

Keywords: Olfactive thresholds; QSPR model; RLM; ANN; PCA; PLS; DFT B3LYP stud.

 

Received

Received in revised
  Accepted
05 August 2015
-
29 November 2015
 

Improving Tribological Properties of 20MnCr5 Steel by Plasma Nitriding

Original Research

Journal of Chemistry and Materials Research Vol. 4 (2), 2015, 45–48

Okba Belahssen * and Said Benramache

 

Abstract

This paper presents wear behavior of the plasma nitrided 20MnCr5 steel. This steel is used in mechanical industry; it has been assessed by evaluating tribological properties and surface hardness by using a pin-on-disk wear machine and microhardness tester. Experimental results showed that the nitrides ε-Fe2-3N and γ’-Fe4N present in the compound layer increase the microhardness. It is found that plasma nitriding improves the wear rate and the presence of a hard and brittle compound layer on the surface causes an increase in wear of the specimen surface.

 

Key words:  Plasma nitriding; Friction; Wear; Steel 20MnCr5.

 

Received
  Received in revised
Accepted
20 November 2015
-
30 November 2015
 

Conjugated Molecules Based on Thienylenevinylene for Organic Solar Cells. Influence of Substitution on the Optoelectronic Properties

Original Research

Journal of Chemistry and Materials Research Vol. 4 (2), 2015, 49–57

A. El Alamy, L. Louazri, A. Amine, SM. Bouzzine, M. Hamidi, M. Bouachrine*

 

 

Abstract

The present manuscript reports the theoretical analysis on the geometries and optoelectronic properties of a series of small conjugated compounds based on thienylenevinylene. The geometric, the electronic and the photovoltaic properties (the HOMO, the LUMO energy levels, the band gap energies and open-circuit voltage (Voc)) of these compounds were calculated by density functional theory (DFT) at B3LYP method with 6‒31G(d) basis set for all atoms. The calculated geometrical parameters (dihedral angles, bond lengths) show that all studied compounds possess nearly planar conformations. Excited‒state properties were investigated and calculated using TD-DFT(B3LYP)/ 6‒31G(d) method. Different group substituents were introduced in the β positions of the thiophene rings, to investigate their effects on the electronic structure and optical properties. In fact, the results of this presented study of structural, electronic and optical properties for these compounds suggest these materials as good candidates for use as active layer in organic solar cells.

 

Keywords: π-Conjugated molecules; Thienylenevinylene; DFT; Optolectronic properties; HOMO; LUMO and Organic Solar Cells.


   Received
Received in revised
Accepted
26 September 2015
-
29 November 2015
 

Assessment of Thermodynamic, Adso‒Kinetic and Inhibition Potentials of Gmelina Arborea Fruit Extract on Corrosion of Rolled Homogenous Steel Plate in Sulphuric Acid

Original Research

Journal of Chemistry and Materials Research Vol. 4 (2), 2015, 58–70

Efiok J. Akpan*, Peter C. Okafor, Adetutu O. Aliyu, Jonathan M. Nwaedozie

 

 

Abstract

The evaluation of inhibitive action of crude Gmelina arborea fruit extract (GAFE) on armor steel plate ASP) in 0.1M H2SO4 solutions has been studied using weight loss method at temperature 303‒313 K, Electrochemical technique (Linear Polarization Resistance) and Surface Morphological examination (SEM).The inhibitive action is observed to increase with increase in concentration of the extract, but decreases with increase in temperature. The Extract gave high inhibition efficiency (IE) in H2SO4 with maximum value of 75.26 % in all test conditions. Inhibition efficiency (IE) of extract decreased with increasing temperature. Thermodynamic parameters evaluated gave heat of adsorption (Qads) of ‒2.6330 to ‒44.2349kJ/mol and with an average of ‒19.3800kJ/mol for GAFE + 0.1 M H2SO4 system. The negative values are indicative of exothermic process. The value of activation energy (Ea) is between 3.51 to 17.99 k J/mol, a clear indication of physisorption. Free energy of adsorption process (∆G°ads) were negative, this explains the spontaneous nature of the adsorption activity. Adsorption process of GAFE on armor steel plate best fitted and obeyed the El‒Awady isotherm. The El‒Awady 1/y parameter is <1 in all test conditions. Electrochemical investigations (LPR‒curve), reveals that GAFE acts as a mixed inhibitor by retarding the cathodic and anodic reaction. Micrographs from SEM, shows evidence of plant material adsorption on ASP under similar test conditions with near smooth surface. In contrast, Micrographs of ASP after immersion in acids without GAFE shows evidence of general and localized corrosion (pitting). The work demonstrates the efficacy of the plant extract under study as potent means of protection of armor steel used in the construction of military hardware and thus increases their durability. 

 

 

Keyword: Gmelina arborea; Armour steel Plate; Hydrochloric acid; Corrosion; Inhibitio.


Received
 Received in revised
Accepted
07 August 2015
  16 October 2015
  03 December 2015