Applied Chemistry

In the present student, Sudan Orange G (SOG) [4-(Phenylazo)resorcinol] derivatives have been studied at Density Functional theory (TD-DFT) at B3LYP level of theory with 6-31G(d) basis set. Different substituent groups were introduced in different position to investigate their effects on the electronic and optical properties. The HOMO and LUMO energies and the energy gap (Egap) between HOMO and LUMO of the studied dyes were calculated. The light harvesting efficiency (LHE), the open-circuit voltage (Voc) and injection driving force (?Ginject) which are the key parameters related to the solar cell efficiency (?) were computed. The LHE values for the dyes are in different ranges and that all the dyes will give different photocurrent. The D6 dye has highest oscillator strength value 1.1263 and the LHE value is 0.925235. So the D6 dye has more efficiency than other studied dyes. Based on the values, the meta substituent dyes are better sensitizers compare to other dyes.

Transition metal ions coordinated to nitrogen containing ligands, such as 1, 10 – phenanthroline and/or 2, 2? – bipyridine have found wide applications in chemotherapy. The ligands form very stable chelates with many first row transition metals and the ligands, as well as some of their derived complexes, do exhibit antimicrobial properties. The mechanism of action of these novel set of drugs was reviewed and compared to that of the conventional antifungal drugs (polyene and azoles). Transition metal complexes of 1, 10 – phenanthroline and/or 2, 2? – bipyridine demonstrated a significantly different mode of action and thus could be used either in combination with existing antimicrobial drugs or in a situation where resistance to conventional antimicrobial drugs have emerged. However, the antimicrobial properties of the various transition metal complexes of phen and bpy are not uniform indicating a degree of metal – ion dependency on their mode of action. The DNA binding, DNA cleavage and antitumoral properties of the transition metal complexes of the chelating ligands were also reviewed. DNA cleavage by these metallonucleases is reported to be dependent on the presence of a biological reductant (e.g. L-ascorbic acid, gluthathione) and an oxidant ( H2O2). The metal complexes were reported to control cancer cell division by significantly reducing DNA synthesis. However there is a significant difference in the mode of action of these novel sets of antitumoral drugs compared to the conventional antifungal drug cisplatin.

Synthesis of photoadduct ([Co(NH3)3(C12H8N2)Cl] Cl2) based on [Co(NH3)5Cl]Cl2 and 1,10-phenenthroline (C12H8N2) has been successfully achieved by a photochemical route. The as prepared photoadduct has been subjected to different spectroscopic characterizations. The empirical formula mentioned for the photoadduct has been confirmed by CHN analysis. This was also supported by FTIR spectra. UV-Visible spectroscopy reflects the material to exhibit non-linear optical (NLO) properties as the material was shown to exhibit wide transparency in most part of visible region, which is an essential condition for NLO behavior. This has been confirmed by the second harmonic generation (SHG) test, which clearly revealed a greenish emission of wavelength 532 nm from an incident laser radiation of wavelength 1064 nm. The SHG efficiency for the photoadduct was found to be 0.46 times to that of standard KDP. Also, I-V characteristics shows the material to fallow ohmic behavior with a resistance of 1.2 M?. This has been attributed to the large band gap as obtained from UV-Visible spectra.

The tremendous increase in the use of heavy metals over the past few decades has inevitably resulted in an increased flux of metallic substances in aquatic environment. Mine drainage, industrial and domestic effluents, agricultural run-off, acid rain etc. have all contributed to some extent to the metal loads in the water bodies. Metals are of special concern because they are non-degradable and therefore persistent. Some metals may be either beneficial or toxic, depending on concentration. The efficient removal of toxic metals from wastewater is an important matter and it is a widely-studied area. There are many techniques available for the removal of heavy metals such as chemical precipitation, reverse osmosis, electrolysis and ion exchange. Physical treatment can also be used to remove small concentrations of hazardous substances dissolved in water that would never settle out. One of the most commonly used techniques involves the process of adsorption, which is the physical adhesion of chemicals onto the surface of a solid. The effectiveness of the adsorbent is directly related to the amount of surface area available to attract the molecules or particles of contaminant. As the use of activated carbon is expensive, so there has been considerable interest in the use of other sorbent materials. Among the many other low cost absorbents identified chitin has the highest sorption capacity for several metal ions but has some mass transfer problems. In the present investigation an attempt was made to overcome these mass transfer limitations by synthesizing binary blend using chitin and poly vinyl alcohol; and ternary blend using chitin, poly vinyl alcohol and silk fibroin and the both blends were characterized by FTIR, TGA, XRD and SEM. From the characterization results, it was found that chitin/PVA/SF (1:1:1) ternary blend is thermally stable than chitin/PVA (1:1) binary blend. Thus, electroplating industrial wastewater was treated with the prepared ternary blend and results revealed that the ternary blend prepared was excellent in removing the heavy metal ions from electroplating industrial effluent. Hence, the ternary blend of chitin, poly vinyl alcohol and silk fibroin could open way for waste water treatment in industrial level.

number of thiophene, pyridine, pyrimidine, and 1,2,4-triazine derivatives were obtained via interaction of 3-Oxo-N-{4-[(2,6-dimethoxypyrimidin-2-yl-amino)sulphonyl]phenyl} butanamide (1) with different reagents. The new synthesized compounds were confirmed by their infrared, mass spectrum, 1H-NMR, 13C-NMR and elemental analyses, and further screened for antimicrobial activity.

The aim of this present work is to investigate the sorption potential of a modified and unmodified fly ash as a law-cost adsorbent material for the removal of phenyl from aqueous medium. In this regard fly ash is a very attractive option, because it is cheap, widely available and has good mechanical stability for handing purposes and employment in adsorption columns. The effect of various factors such as contact time, adsorbent dosage, PH, temperature and initial adsorbent. A concentration on the sorption process was investigated under batch equilibrium technique using UV/Vis Spectrometry. The result obtained showed that the capacity of fly ash for adsorption of Phenyl depends on the initial PH and concentration of solutions.

Benzimidazoles and their derivatives play very important role in the medical field with useful therapeutic activities like antiviral, anti-histaminic, anticancer, antiulcer, antihypertensive, antidiabetic, antifungal, and antimicrobial activity. The most prominent benzimidazole compound in nature is N-riosyldimethylbenzimidazole, which serves as an axial ligand for cobalt in vitamin B12. The potency of these useful derivatives in treatment of microbial infections encouraged the development of some more potent and pharmacologically efficient compounds. This review summarizes the synthesis of different derivatives of benzimidazole and their biological activities.

Chalcone derivatives were synthesized by reaction of some benzaldehyde derivatives with acetophenone , then the products obtained were allowed to react with urea, thiourea and hydroxylamine, to give the heterocyclic derivatives of oxazine, thiazine and isoxazole respectively. The final products have been characterized by elemental analysis, IR and proton NMR spectra. These compounds were also screened for their antibacterial activities.

Concentration of Cd, Cu, Pb, Ni and Zn were determined in the surface water of Usuma Dam and in the treated drinking water from the same source using Atomic absorption spectrophotometry. The concentrations of Cd, Cu, Pb, Ni and Zn in the surface raw water were 7.0, 17.0, 24.1, 14.0 and 43 µgl-1 respectively. While their concentration in the treated drinking water were 5.0, 10.0, 18.0, 9.0 and 25.3 µgl-1 respectively. The trend of the concentration is in the order of Zn > Pb> Cu> Ni> Cd in both the water samples. The result shows that the metal concentrations in the treated drinking water are lower than the metal concentration in the raw water. This may be attributed to water treatment processes and distribution.

The levels of fatty acids, phospholipids and sterols were determined in the raw, roasted and cooked wholeseeds flour of Treculia africana. Results showed crude fat varied from 2.90 – 8.67 g/100 g; SFA from 18.7 – 31.2 % of total fatty acids, total polyunsaturated unsaturated fatty acids (PUFA) varied from 34.7 – 46.8 % and MUFA/SFA ranged from 0.962 – 2.89, PUFA/SFA ranged from 1.05 – 2.50, n-6/n-3, EPSI (PUFA/MUFA), LA/aLA and EPA/DHA ranged from 7.80 – 28.8, 0.830 – 1.35, 30.4 – 237 and 0.530 – 1.21 respectively. The samples had high levels of n-6 fatty acids but low in n-3 fatty acids. In the phospholipids, phosphatidylcholine was highest in the raw wholeseed flour whereas phosphatidylinositol was highest both in roasted and cooked wholeseed flours with respective values of 733 and 733 (mg/100 g). The sterol values in the samples varied from: raw (7.9e-8 – 98.4); roasted (3.1e-7 - 302) and cooked (5.40e-6 – 309) mg/100 g. In all the samples, cholesterol was of the least concentration. In all nutrient parameters considered, roasted and cooked wholeseed flours were better than the raw wholeseed flour. Correlation coefficient was significantly and positively high at r = 0.05 in: the crude fats, total fatty acids and energy; fatty acids, fatty acids as food, energy contribution from fatty acids and sterols.