| Author (s): |
Banjo Semire, Isaiah Ajibade Adejoro, Olusegun Ayobami Odunola
|
| Title: |
STRUCTURAL AND ELECTRONIC PROPERTIES OF BRIDGED BITHIOPHENE S-OXIDES (BTO) WITH S, S=O, O, SiH2 and BH2 BRIDGE: SEMI-EMPIRICAL AND AB INITIO STUDY |
| Abstract: |
In this paper, we theoretically studied the geometries, stabilities, electronic and thermodynamic properties of bridged bithiophene S-oxide (BTO-X) derivates (with X = BH2, SiH2, S, S=O, and O) by using semi-empirical methods, ab-initio, and Density functional theory. The geometries and thermodynamic parameters calculated by PM3 were in good agreement with that of B3LYP/6-31G(d). The bandgap calculated by B3LYP/6-31G(d) ranged from 3.94eV (BTO-O)-3.16eV (BTO-BH2). The absorption λmax calculated suing B3LYP/6-31G(d) shifted to longer wavelength with X=BH2, SiH2, and S=O due to enhancement of π-conjugated system whereas, BTO-S and BTO-O shifted to shorter wavelengths as compared to dimmer thiophene S-oxide (2TO).
|
| Keywords: |
Density functional theory (DFT), Semi-empirical (PM3), Bridged bithiophene S-Oxides.
|
| Year: |
2010
|
| Initial page: |
1
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| Final page: |
10
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| Link: |
Acessar |
| DOI: |
10.48141/SBJCHEM.v18.n18.2010.6_2010.pdf |
|
|
| Author (s): |
Anees A Siddiqui, Asif Husain, M Shaharyar, Mohd Rashid, Ravinesh Mishra, Jaseela Majeed and Bhawana Sati
|
| Title: |
SYNTHESIS, SPECTRAL CHARACTERIZATION AND ANTIMICROBIAL SCREENING OF SUBSTITUTED 1,3,4-OXADIAZOLE DERIVATIVES |
| Abstract: |
1,3,4-oxadiazoles are important because of its versatile biological actions. In the present study, several 2-(quinoline-8-yloxymethyl)-5-aryl-1,3,4-oxadiazole derivates (IIIa-j) have been synthesized by the condensation of 8-hydroxy quinoline acetyl hydrazide (II) with various aromatic acids in presence of phosphorous oxychloride. The structures of the newly synthesized compounds have been established on the basis of elemental analysis, UV, IR, and 1H NMR spectral data. The synthesized compounds were screened for their in vitro growth-inhibiting activity against different strains of bacteria and fungi viz., S aureus, E. Coli, P. aeruginosa, C. Albicans, A. flavus, and A. fumigates, and the results were compared with the standard such as Ampicillin (50µg/ml) using agar diffusion technique. Compounds IIIc and IIIf were found to be equipotent as ampicillin when tested against the strains of E.Coli where as tested compounds IIIc, IIIf and IIIi showed good antibacterial and antifungal activity when tested against the strains of S. aureus, P. aeruginosa, and C. Albicans.
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| Keywords: |
1,3,4-oxadiazole, Ampicillin, Fluconazole, Antibacterial and Antifungal activity.
|
| Year: |
2010
|
| Initial page: |
11
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| Final page: |
18
|
| Link: |
Acessar |
| DOI: |
10.48141/SBJCHEM.v18.n18.2010.15_2010.pdf |
|
|
| Author (s): |
Hany M. M. Dalloul
|
| Title: |
HETEROCYCLIC SYNTHESIS USING NITRILIMINES PART 15: SYNTHESIS OF NEW 1,2,4,5-TETRAZINONE AND 1,2,4,5-TETRAZEPINONE DERIVATIVES |
| Abstract: |
The reaction of C-aroyl-N-arylnitrilimines II with Girard-reagent P III led to the formation of the 1,2,3,4-tetrahydro-1,2,4,5-tetrazin-3-ones IVa-f and 1,2,6,7-tetrahydro-1,2,4,5-tetrazepin-6-ones Va-f, which underwent thermal oxidation to 1,6-dihydro-1,2,4,5-tetrazin-6-ones and 6,7-dihydro-1,2,4,5-tetrazepin-6-ones. The microanalysis and spectral data of the synthesized compounds are in full agreement with their molecular structure.
|
| Keywords: |
nitrilimines, cyclization, 1,2,4,5-tetrazinones, 1,2,4,5-tetrazepinones.
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| Year: |
2010
|
| Initial page: |
19
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| Final page: |
27
|
| Link: |
Acessar |
| DOI: |
10.48141/SBJCHEM.v18.n18.2010.23_2010.pdf |
|
|
| Author (s): |
Asif Husain and Mohd Rashid
|
| Title: |
SYNTHESIS AND ANTIMICROBIAL ACTIVITY OF SOME AMIDE DERIVATIVES |
| Abstract: |
A series of amide derivates have been synthesized through the one-pot method by condensing appropriate 4-oxo-4-(4-substituted phenyl_butanoic acid moiety with isoniazid. The amides have been evaluated for their antimicrobial activity (Minimum Inhibitory Concentration - MIC) against Bacillus Sbtilis, Klebsiella pneumonie, and Candida albicans. Once compound, 2b, was found to have significant antimicrobial activity.
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| Keywords: |
amide, MIC, Candida albicans, antimicrobial activity. .
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| Year: |
2010
|
| Initial page: |
29
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| Final page: |
36
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| Link: |
Acessar |
| DOI: |
10.48141/SBJCHEM.v18.n18.2010.32_2010.pdf |
|
|
| Author (s): |
Paulo Cesar Pereira das Neves, Darcson Vieira de Freitas and Lavinel G. Ionescu.
|
| Title: |
MINERALOGICAL ASPECTS OF RARE EARTH ELEMENTS |
| Abstract: |
Rare earth elements or rare earth metals are group elements including the fifteen lanthanides (Z=57 to Z=71). Scandium (Z=21) and Yttrium (Z=39) are considered rare-earth by IUPAC since they tend to occur in the same ore deposits as the lanthanides and have similar chemical properties. The present article describes the mineralogical properties of the yttrium and the lanthanides. A total of two hundred and seventy-seven (277) minerals are known, the most common being monazites and bastnazites. Rare earth metals have many important industrial applications.
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| Keywords: |
rare earth elements, lanthanides, yttrium, mineralogical aspects.
|
| Year: |
2010
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| Initial page: |
37
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| Final page: |
47
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| Link: |
Acessar |
| DOI: |
10.48141/SBJCHEM.v18.n18.2010.40_2010.pdf |
|
|
| Author (s): |
Mihail Contineanu, Adina-Elena Stanciu, Iulia Contineanu and Ana Neacsu
|
| Title: |
THERMAL DISAPPEARANCE KINETICS OF RADICALS FORMED DURING RADIOLYSIS IN POLYCRYSTALLINE SOLID STATE OF SODIDM WOLFRAMATE DIHYDRATE |
| Abstract: |
A kinetic study of the WO4- radical, formed by gamma irradiation of polycrystalline Na2WO4.2H2O UCB at room temperature has been performed using the EPR technique. A suitable mechanism for the formation of paramagnetic centers by irradiation and thermal annealing is proposed. The mechanism agrees well with the experimental kinetic data.
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| Keywords: |
paramagnetic species, absorbed dose, thermal disappearance, radiolytical process, sodium wolframate.
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| Year: |
2010
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| Initial page: |
49
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| Final page: |
64
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| Link: |
Acessar |
| DOI: |
10.48141/SBJCHEM.v18.n18.2010.51_2010.pdf |
|
|
| Author (s): |
Lavinel G. Ionescu
|
| Title: |
WALTER LWOWSKI, NEW MEXICO S GREAT ORGANIC CHEMIST |
| Abstract: |
Walter Lwowski was born in 1928 in Garmisch, Bavaria, Germany, and passed away in Las Cruces, New Mexico, USA in 2010. He received a doctorate in organic chemistry (Dr. Rer. Nat.) from the University of Heidelberg in 1955. He held faculty positions at Yale University and New Mexico State University. His main research activities dealt with nitrene chemistry and nitrogen heterocyclic chemistry. His wide and important contributions gained him national and international recognition and he may be rightfully considered New Mexico s greatest and most illustrious organic chemist.
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| Keywords: |
history of chemistry, organic chemistry, nitrenes, nitrogen heterocyclic chemistry, chemistry in New Mexico.
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| Year: |
2010
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| Initial page: |
65
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| Final page: |
85
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| Link: |
Acessar |
| DOI: |
10.48141/SBJCHEM.v18.n18.2010.67_2010.pdf |
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