- Structural, spectroscopic and nonlinear optical properties of sulfonamide derivatives; experimental and theoretical study
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Nonlinear optical (NLO) materials have broad range applications in the field of optoelectronic devices. Nowadays great interest has been developed for synthesizing the compounds having high NLO response. Herein we are reporting the structural, spectroscopic and NLO properties of two, structurally simple sulfonamide derivatives. Both compounds are synthesized in respectable yields, characterized by using NMR (1H and 13C), FT-IR and UV–vis spectroscopic techniques. X-ray diffraction analysis confirmed the final structures. Density functional theory (DFT) at B3LYP/6-31G(d,p) method are performed for validation of experimental data (X-ray as well as spectroscopic data). Absorption studies of both compounds are performed by using TD-DFT method. Coefficients of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of both compounds reflect the high stability. First hyperpolarizability (βo), polarizability (αo) and dipole moment (μ) analyses calculated at LC-BLYP method revealed that both derivatives have reasonable nonlinear optical (NLO) response. The static, dc-Kerr effect and electric field-induced second harmonic generation (ESHG) hyperpolarizability co-efficient are also studied for refractive index (n2) calculation of both sulfonamides, to further observe their NLO response.
- Arshad, Muhammad Nadeem,Faidallah, Hassan M.,Asiri, Abdullah M.,Kosar, Naveen,Mahmood, Tariq
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- Carbonic Anhydrase Inhibitors. Inhibition of Mitochondrial Isozyme V with Aromatic and Heterocyclic Sulfonamides
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The first inhibition study of the mitochondrial isozyme carbonic anhydrase (CA) V (of murine origin) with a series of aromatic and heterocyclic sulfonamides is reported. Inhibition data of the cytosolic isozymes CA I and CA II and the membrane-bound isozyme CA IV with these inhibitors are also provided for comparison. Several low nanomolar CA V inhibitors were detected (K I values in the range of 4-15 nM), most of them belonging to the acylated sulfanilamide, ureido-benzenesulfonamide, 1,3,4-thiadiazole-2-sulfonamide, and aminobenzolamide type of compounds. The clinically used inhibitors acetazolamide, methazolamide, ethoxzolamide, dorzolamide, brinzolamide, and topiramate on the other hand were less effective CA V inhibitors, showing inhibition constants in the range of 47-63 nM. Some of the investigated sulfonamides, such as the ureido-benzenesulfonamides and the acylated sulfanilamides showed higher affinity for CA V than for the other isozymes, CA II included, which is a remarkable result, since most compounds investigated up to now inhibited the cytosolic isozyme CA II better. These results prompt us to hypothesize that the selective inhibition of CA V, or the dual inhibition of CA II and CA V, may lead to the development of novel pharmacological applications for such sulfonamides, for example in the treatment or prevention of obesity, by inhibiting CA-mediated lipogenetic processes.
- Vullo, Daniela,Franchi, Marco,Gallori, Enzo,Antel, Jochen,Scozzafava, Andrea,Supuran, Claudiu T.
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p. 1272 - 1279
(2007/10/03)
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