Search results

1

Theoretical studies on the binding affinities of β-cyclodextrin to small molecules and monosaccharides

100%

Chen S., Teng Q., Wu S.

Open Chemistry

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2006

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vol. 4

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issue 2

223-233

EN

Equilibrium geometries and electronic structures of complexes between β-cyclodextrin (β-CD) and some small molecules as well as monosaccharides were investigated by Austin Model 1 (AM1) to obtain binding energy of the complexes. It was indicated that β-CD could bind the structurally similar solvent molecules and monosaccharides because of the negative binding energy of the complexes, and especially could show the chiral binding ability to monosaccharides with more hydroxyl groups, due to its chiral characteristics. The complexes were stabilized by the hydrogen bonding between β-CD and guests. Based on the AM1 optimized geometries, the IR spectra were calculated by AM1 method. Vibration frequencies of O-H bonds in the guests were red-shifted owing to the weakening of the O-H bonds with the formation of the complexes.

2

Synthesis, spectroscopic characterization and antimicrobial evaluation of some (E)-N-(4-substitutedbenzylidene)-4-fluorobenzenesulfonamides

88%

Jayanthi P., Jesu Retna Raj G., Sekar M., Thanikachalam V.

World News of Natural Sciences

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2017

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vol. 13

101-112

EN

In the present study, six numbers of Schiff bases (1-6) have been synthesized by the condensation of 4-fluorobenzenesulfonamide and substituted aromatic aldehyde. The purities of these Schiff bases have been checked by their physical constants, IR, 1H NMR and 13CNMR spectral data. The antimicrobial activities of these Schiff bases have been evaluated using Bauer-Kirby method.

3

Association of model peptides and dehydropeptides: N-acetyl-l-butyrine and (Z)-dehydrobutyrine N',N'-dimethylamides

88%

Broda M. A., Rzeszotarska B.

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2006

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vol. 53

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issue 1

221-226

EN

These comparative studies on the aggregation behaviour of Ac-(Z)-ΔAbu-NMe2 and Ac-L-Abu-NMe2 in carbon tetrachloride were performed by the analysis of their FTIR spectra and by theoretical calculations. The percentage of the monomeric form (α) decreased as concentration increased and this occurred to a higher degree for the (Z)-ΔAbu derivative than for its saturated analogue. The dimerization constant KD, calculated on the basis of the intensity of the monomer and associate bands in the νs(N-H) vibration region, is by three orders of magnitude larger for Ac-(Z)-ΔAbu-NMe2 than for Ac-L-Abu-NMe2. The obtained dimer geometries of the dehydro- compound were calculated by the B3LYP/6-31+G** method.

4

Synthesis, characterization and crystal structure analysis of a novel oxo-centered mixed-metal complex containing unsaturated bridging carboxylates

88%

Yazdanbakhsh M., Lotfian N., Tavakkoli H., Boese R.

Open Chemistry

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2011

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vol. 9

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issue 4

585-589

EN

A novel oxo-centered trinuclear mixed-metal carboxylate complex with unsaturated bridging ligands [Fe2Cr(µ3-O)(C3H3O2)6(H2O)3]·NO3·4H2O has been synthesized and characterized by means of Elemental analyses, Infrared spectroscopy and Crystal structure analysis. The compound crystallizes isotypically in the monoclinic space group type P21/c. In the compound, each M(III) cation is coordinated by six O atoms from four unsaturated carboxylate groups as bridging ligands, one water molecule as the terminal ligand, and a µ3-oxygen atom in the center of an equilateral triangle. The infrared spectra show resolved bands arising from νasym(COO) and νsym(COO) vibration of bridging carboxylate ligands along with those of νasym(M2M′O) vibration in the complex. The difference between symmetrical and asymmetrical (COO) ligands indicate that the acrylate bridge is present in the structure of complex. [...]

5

Solid Fly-ash:PTS catalyzed synthesis, spectral studies and antimicrobial activities of some 1,3-diarylpropenones

63%

Arulkumarana R., Vanangamudia G., Kamalakkannana D., Sundararajana R., Vijayakumara S., Thirumurthyb K., Mayavelb P., Thirunarayanan G.

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2012

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vol. 67

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issue 1-2

45-77

EN

The green catalyst Fly-ash:PTS has been prepared and characterized by IR and SEM analysis. Using this catalyst some aryl chalcones have been synthesized by aldol condensation of aryl methyl ketone and substituted benzaldehydes. It has been observed that this reaction yields more than 85% of the product. These chalcones have been characterized by their physical constants and spectral data following the procedures published in literature. The effect of substituents on the spectral data of the chalcones, synthesized, has been studied using single and multi-regression analysis with Hammett equation. The antibacterial and antifungal activities of these chalcones have been studied using Bauer-Kirby method.

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2 Open Chemistry

1 Acta Biochimica Polonica

1 Annales Universitatis Mariae Curie-Skłodowska, sectio AA – Chemia

1 World News of Natural Sciences

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1 2012

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2 2006

1 Arulkumarana R.

1 Boese R.

1 Broda M. A.

1 Chen S.

1 Jayanthi P.

1 Jesu Retna Raj G.

1 Kamalakkannana D.

1 Lotfian N.

1 Mayavelb P.

1 Rzeszotarska B.

1 Sekar M.

1 Sundararajana R.

1 Tavakkoli H.

1 Teng Q.

1 Thanikachalam V.

1 Thirumurthyb K.

1 Thirunarayanan G.

1 Vanangamudia G.

1 Vijayakumara S.

1 Wu S.

1 Yazdanbakhsh M.

Theoretical studies on the binding affinities of β-cyclodextrin to small molecules and monosaccharides

Synthesis, spectroscopic characterization and antimicrobial evaluation of some (E)-N-(4-substitutedbenzylidene)-4-fluorobenzenesulfonamides

Association of model peptides and dehydropeptides: N-acetyl-l-butyrine and (Z)-dehydrobutyrine N',N'-dimethylamides

Synthesis, characterization and crystal structure analysis of a novel oxo-centered mixed-metal complex containing unsaturated bridging carboxylates

Solid Fly-ash:PTS catalyzed synthesis, spectral studies and antimicrobial activities of some 1,3-diarylpropenones