The Journal of Chemical Science

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The Journal of Chemical Science, Impact Index: 4.47, ISJN: 7248-4712, Imprint: Photon, Category: Peer Reviewed Indexed International Journal


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In this study, we have designed five novel organic donor-π-acceptor dyes (D1-D5), based on the experimentally synthesized C206 dye for the highly efficient dye-sensitized solar cell. The electron acceptor (anchoring) group was 2-cyanoacrylic acid for all dyes whereas the electron donor unit varied (anthracene-1, 4-dione, indoline, carbazole, phenothiazine, phenoxazine) and the influence was investigated. These dyes, based on thieno [3, 2-b] thiophene as π-spacer, were studied by Density Functional Theory (DFT) and its extensible time dependent DFT (TD-DFT) to evaluate ground state and excited state geometries, and further calculated their physical and electronic properties, including geometrical structures, molecular orbital energy levels, absorption spectra, Light Harvesting Efficiency (LHE), injection driving force (∆Ginject.), and electron binding energy (Eb), were discussed. The calculated results of these dyes reveal that dye D3, with phenoxazine as electron donor group, are promising functional groups in D-π-A organic dyes, can be used as a potential sensitizer for TiO2 nanocrystalline solar cells due to its best electronic and optical properties and good photovoltaic parameters. 




Antioxidant activity and enzymatic inhibitory effect of some complexes of copper (II) with Amino-acids 

Prof. I.P. Tripathi, Aarti Kamal* 

a Faculty of Science & Environment, Mahatma Gandhi Chitrakoot Gramodaya Vishwavidyalaya Chitrakoot, Satna (M.P.), India 

b Mahatma Gandhi Chitrakoot Gramodaya Vishwavidyalaya, Satna (M.P.), India 

Keywords: Amino acids, copper (II), enzymatic inhibition, antioxidant activity. 

All Rights Reserved with Photon. Photon Ignitor: ISJN72484712D861419092017 

Citation: Kamal A.*, Tripathi I.P. 2017. Antioxidant activity and enzymatic inhibitory effect of some complexes of copper (II) with Amino-acids. The Journal of Chemical Science. Photon 111, 296-312 

Abstract 

In the current study three new Copper-L-amino acid complexes with L-alanine, L-glycine and L-valine as ligand has been synthesized and characterized by spectral studies. FTIR spectra proved the bidentate nature of the ligand. Among the synthesized metal complexes Cu(II)-L-glycine complexes exhibited effective α-glucosidase inhibition with an IC50 value of 1018μM. All the metal complexes showed moderate antioxidant activity.The complex of L-alanine effective on the proton release in DPPH assay with an IC50 value of 92.17μM and also exhibited the highest activity in ABTS scavenging with an IC50 of about 61.07 μM amongst the synthesized metal complexes.










Allium cepa seeds were grinded and extraction of oil was carried out by soxhlet apparatus by using n-hexane for 6 hours. Solvent was separated by rotary evaporator and light brown colored oil with 19.28% yield was obtained. Physicochemical evaluations were carried out by standard procedures and fatty acid profile was determined after methanolic esterification of oil by gas chromatograph coupled with flam ionization detector (GC-FID). The free fatty acid value, saponification value, iodine value, peroxide value, refractive index (40⁰ C) and relative density of the oil were 0.11, 170 mg KOH/kg, 92.28gI2/100g, 9.25 meq/Kg, 1.459 and 0.895 g/ml respectively. It contains lauric acid 5.31%, myrstic acid, 14.39%, palmitic acid 18.80%, palmitoleic acid 3.84%, stearic acid 16.40%, oleic acid 27.40% and linoleic acid 13.90%. The oil contains omega-3, omega-7 and omega-9 fatty acids which are common constituents of the glycerides of human adipose tissue. These fatty acids strengthen the skin lipidicbarrier and thus improve the skin moisturization. These fatty acids also have emollient and regenerative properties which are primarily required adequate skinconditioner. So, it is concluded that oil is rich in saturated and unsaturated fatty acids and may be a potential source of skin care products. 







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Synthesis, Molecular Docking and Anti-TB Activity of 1-Benzofuran-2-Carbohydrazide


B.R. Thorata, B. Nazirkara, V.B. Thoratb, M. Mandewalea*, A. Nagarsekara, R.S. Yamgarc 


a P. G. and Research centre, Ismail Yusuf Arts, Science and Commerce College, Jogeshwari (E), Mumbai 400060 

b IES, Junior College, Bandra (E), Mumbai, India

c Department of Chemistry, Chikitsak Samuha’s Patkar-Varde College of Arts, Science and Commerce, Goregaon (W), Mumbai 400 062, India 



Keywords: Benzofurans, Molecular docking, Anticancer, 3LAU, 1VOM, TB-activity 


Photon Ignitor: ISJN72484712D816305012016 


Citation: 

Mandewale M., Thorat B.R., Nazirkar B., Thorat V.B., Nagarsekar A., Yamgar R.S., 2016. Synthesis, Molecular Docking and Anti-TB Activity of 1-Benzofuran-2-Carbohydrazide. The Journal of Chemical Science. Photon 110, 279-291 


Abstract 

The 1-benzofuran-2-carbohydrazide was synthesized by known literature method from salicylaldehyde. To deduce the antibacterial and anticancer activity of the 1-benzofuran-2-carbohydrazide, it is docked with different biomarkers of cancer cell and bacteria. Grid was generated for each oncoproteins by specifying the active site amino acids. The binding model of best scoring analogue with each protein was assessed from their G-scores and disclosed by docking analysis using the XP visualizer tool. An analysis of the receptor-ligand interaction studies revealed that 1-benzofuran-2-carbohydrazide is most active against 1Z92 (Interleukin-2 with its alpha receptor) and 1YCR (MDM2 bound to the trans-activation domain of p53) biomarkers and have the features to prove themselves as anti-tuberculosis drugs. The Cramer rules of toxicity predicts the toxicological hazard (when administered orally) from the molecular structure. It shows that it is class III toxic compound. Also stereochemistry and molecular parameters are studied by using Avogadro’s software. The anti-TB studies show that it shows good activity against mycobacterial tuberculosis (H37 RV strain).
















Abstract 

The occurrence, levels and sources of organochlorine pesticides (OCPs) and indicator polychlorinated biphenyls (PCBs) in the Weija Lake are presented and levels revealed varying concentrations in the water and the sediments. Liquid-liquid extraction with hexane was used for the extraction of the compounds from the water samples while sediment samples were sonicated on ultrasonic bath with hexane/acetone (3:1) solvent system. The extracts were then cleaned up with florisil and quantified on a micro-capillary gas chromatography equipped with electron capture detector. In all, five indicator PCB congeners namely, PCB # 28, 52, 101, 138, 180 and fifteen OCPs, α-HCH, β-HCH, γ-HCH, δ-HCH, γ-chlordane, aldrin, dieldrin, endrin, α-endosulfan, β-HCH, endosulfan sulfate, p,p’-DDT, p,p’-DDE, p,p’-DDD, and methoxychlor were detected. However, the levels of α-HCH, β-HCH, aldrin, dieldrin, γ-chlordane and PCB #118, 153 were below detection limit in the water compartment. In sediments, the mean concentration ranged from 0.15 µgkg -1 dry weight (α-HCH) to 7.08 µgkg -1 dry weight (PCB 52). PCB 28 was detected with the highest concentration of 2.50 µgL -1 in water samples. Data analysis by one way anova indicated significant differences in the levels of most of the organochlorines sampled from the various locations. Generally, the mean levels of the organochlorines in the Weija water and sediments were below quality guideline values. The results, based on one year monitoring, therefore suggest that organochlorine compounds investigated in the present study may not pose health hazard in the waters from Weija Lake.












Study of ethyl(diethoxyphosphoryl)methanesulfonate spectral data using decoupling methodology of NMR spectroscopy


Prashant Dwivedia*, Kartikeya Dwivedib, K Vijay Kumarc



Prashant Dwivedi*, Kartikeya Dwivedi, K Vijay Kumar receive World Chemical Science Award-2014

Keywords: coupling, decoupling, NMR, spectroscopy, spin-spin decoupling

Photon Ignitor: ISJN72484712D655611112014

The Journal of Chemical Science

Citation: Dwivedi P., Dwivedi K., Kumar K.V. 2014. Study of ethyl(diethoxyphosphoryl)methanesulfonate spectral data using decoupling methodology of NMR spectroscopy. The Journal of Chemical Science. Photon 108, 259-262.

Abstract

The use of spin–spin decoupling is no doubt familiar to most regular users of solution NMR spectroscopy, and it has constituted an important tool for the chemist since the early applications of NMR to problems of chemical structure. ethyl diethoxyphosphoryl)methanesulfonate spectral data suggested some new achievements in the field of decoupling techniques by decoupling phosphorous and acquiring 1H NMR resulted in solving the problem which aroused due to the coupling of phosphorous with proton. The technique is very fruitful to solve such problems but is successful only with the simple spectra as with the complex spectral analysis it is hard to interpret ate the result and henceforth other methodologies are to be used. 





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