Solvent extraction studies of radioisotopic exchange of36Cl with Chloramine-B in strong acid medium

Exchange studies with³⁶Cl and Chloramine-B in strong acid medium revealed that the extent of exchange is less than that occurs at pH 3.3 indicating the formation of a new species of Chloramine-B which is not participating in the exchange reaction and this has been confirmed by conductometric titration of Chloramine-B with dilute solutions of H₂SO₄, HCl, HClO₄ and CH₃COOH.     

An approach to computer-aided inhibitor design: Application to cathepsin L

Summary We have developed an approach to search for molecules that can be used as lead compounds in designing an inhibitor for a given proteolytic enzyme when the 3D structure of a homologous protein is known. This approach is based on taking the cast of the binding pocket of the protease and comparing its dimensions with that of the dimensions of small molecules. Herein the 3D structure of papain is used to model cathepsin L using the comparative modeling technique. The cast of the binding pocket is computed using the crystal structure of papain because the structures of papain and the model of cathepsin L are found to be similar at the binding site. The dimensions of the cast of the binding site of papain are used to screen for molecules from the Cambridge Structural Database (CSD) of small molecules. Twenty molecules out of the 80 000 small molecules in the CSD are found to have dimensions that are accommodated by the papain binding pocket. Visual comparison of the shapes of the cast and the 20 screened molecules resulted in identifying brevotoxin b, a toxin isolated from the red tide dinoflagellate Ptycho brevis (previously classified as Gymonodium breve), as the structure that best fits the binding pocket of papain. We tested the proteolytic activity of papain and cathepsin L in the presence of brevotoxin b and found inhibition of papain and cathepsin L with K_is of 25 M and 0.6 M, respectively. We also compare our method with a more elaborate method in the literature, by presenting our results on the computer search for inhibitors of the HIV-1 protease.     

Kinetics of isotopic exchange between chloramine-B and radioactive chloride

The kinetics of chlorine isotope exchange between chloramine-B /CAB/ and chloride has been studied using ion-exchange separation and tracer technique. McKay's plot are linear. The exchange reaction is fast in acidic medium, very slow in neutral medium and does not take place in alkaline medium. In the acidic range the exchange is maximum at pH 3.3. The rate of exchange decreases at pH >3.3 and <3.3. The order with respect to CAB and chloride is unity. The order with respect to [H⁺] is unity at pH>5. Addition of neutral salt or parent compound has no effect on the rate of exchange. Activation energy and activation entropy for this exchange reaction have been calculated.     

Synthesis,characterisation and photocatalytic activity of Ag<Superscript>+</Superscript>- and Sn<Superscript>2+</Superscript>-substituted KSbTeO<Subscript>6</Subscript>

Ag⁺- and Sn²⁺-substituted KSbTeO₆ were prepared by a facile ion-exchange method at ambient temperature. All the samples were characterised by scanning electron microscopy, energy-dispersive spectra, thermogravimetric analysis, powder X-ray diffraction, Raman spectra and UV-VIS diffuse reflectance spectra. Both Sn²⁺- and Ag⁺-substituted KSbTeO₆ were crystallised in a cubic lattice with the \(Fd\bar 3m\) space group. The band-gap energy of all the samples was deduced from their UV-VIS diffuse reflectance spectral profiles. The visible light-induced photocatalytic oxidation of the methylene blue (MB) dye was examined in the presence of all the as-prepared materials. The Ag⁺- and Sn²⁺-substituted KSbTeO₆ exhibited a higher photocatalytic activity than the parent KSbTeO₆ in degradation of the MB dye under visible light irradiation.     

Enhancement of Photocatalytic Activity of Sodium Bismuth Titanate by Doping with Copper,Silver, and Tin Ions

Perovskite type oxides, sodium bismuth titanate (Na_0.5Bi_0.5TiO₃), and Ag⁺, Cu²⁺, and Sn²⁺ doped Na_0.5Bi_0.5TiO₃ were prepared by pechini and ion exchange methods, respectively. Photocatalytic activities of these catalysts were tested by decomposition of methylene blue (MB) under visible light irradiation. Results showed that the photocatalytic activity of metal ion doped Na_0.5Bi_0.5TiO₃ was higher than undoped Na_0.5Bi_0.5TiO₃. Relatively high photocatalytic performance of Ag⁺‐doped Na_0.5Bi_0.5TiO₃ is mainly ascribed to the efficient separation of electron‐hole (e^–, h⁺) pairs, lower bandgap energy and the creation of active hydroxyl radicals ( ^? OH). Further, the Ag⁺‐doped Na_0.5Bi_0.5TiO₃ catalyst showed good reusability up to four cycles. A possible mechanism for the enhanced photocatalytic performance was proposed. The synthesized photocatalysts were characterized by XRD, SEM, EDS, XPS, FT‐IR, and UV/Vis DRS techniques.     

Synthesis,Characterization, Molecular Docking,and Antimicrobial Activity of New Arylidene-Substituted Imidazoles

Russian Journal of General Chemistry - The title compounds are synthesized by condensation of 2-[4-(arylidene)-5-oxo-4, 5-dihydrooxazol-2-yl]phenylacetate with aromatic amines in presence of the...     

Synthesis,Characterization and Photocatalytic Activity of Ag+‐ and Sn2+‐Doped KTi0.5Te1.5O6

In this study, the photocatalytic dye degradation efficiency of KTi_0.5Te_1.5O₆ synthesized through solid‐state method was enhanced by cation (Ag⁺/Sn⁺²) doping at potassium site via ion exchange method. As prepared materials were characterized by XRD, SEM‐EDS, IR, TGA and UV–Vis Diffuse reflectance spectroscopic (DRS) techniques. All the compounds were crystallized in cubic lattice with space group. The bandgap energies of parent, Ag⁺‐ and Sn⁺²‐doped KTi_0.5Te_1.5O₆ materials obtained from DRS profiles were found to be 2.96, 2.55 and 2.40 eV, respectively. Photocatalytic efficiency of parent, Ag⁺‐ and Sn⁺²‐doped materials was evaluated against the degradation of methylene blue (MB) and methyl violet (MV) dyes under visible light irradiation. The Sn⁺²‐doped KTi_0.5Te_1.5O₆ showed higher activity toward the degradation of both MB and MV dyes and its higher activity is ascribed to the lower bandgap energy compared to the parent and Ag⁺‐doped KTi_0.5Te_1.5O₆. The mechanistic degradation pathway of methylene blue (MB) was studied in the presence of Sn²⁺‐doped KTi_0.5Te_1.5O₆. Quenching experiments were performed to know the participation of holes, super oxide and hydroxyl radicals in the dye degradation process. The stability and reusability of the catalysts were studied.     

Non-uniform mass transfer or wall enthalpy into a compressible flow over a rotating sphere

A study for the effect of non-uniform slot injection/suction and non-uniform total enthalpy at the wall for a steady non-similar laminar compressible boundary layer flow over a rotating sphere is presented. The effects of rotation and free stream Mach number have also been considered. Non-similar solutions have been obtained from the starting point of the stream wise coordinate to the point of separation using an implicit finite difference scheme in combination with the quasi-linearization technique. The results indicate that the separation can be delayed by non-uniform slot suction and also by moving the slot downstream but the non-uniform slot injection has just the opposite effect. An increase of rotation and total enthalpy at the wall causes separation to occur earlier while cooling delays it. An increase of the Mach number shifts the point of separation upstream due to the adverse pressure gradient. The non-uniform total enthalpy at the wall has a very little effect on the skin friction and hence on the point of separation.     

Synthesis,characterization, and antimicrobial activity of new bis-1,2,3-triazol-H-yl-substituted 2-arylbenzimidazoles

New bis-1,2,3-triazol-H-yl-substituted 2-aryl benzimidazoles VIa-VIp were synthesized from O- and N-bis-propargyl substituted 2-arylbenzimidazoles using “click chemistry.” The newly synthesized compounds were characterized by IR, NMR, and mass spectra. These compounds were screened for their activity against bacterial and fungal organisms.     

Synthesis, potentiometric and antimicrobial studies on metal complexes of isoxazole Schiff bases

The metal complexes of Cu(II), Ni(II) and Co(II) with Schiff bases of 3-(2-hydroxy-3-ethoxybenzylideneamino)-5-methyl isoxazole [HEBMI] and 3-(2-hydroxy-5-nitrobenzylidene amino)-5-methyl isoxazole [HNBMI] which were obtained by the condensation of 3-amino-5-methyl isoxazole with substituted salicylaldehydes have been synthesized. Schiff bases and their complexes have been characterized on the basis of elemental analysis, magnetic moments, molar conductivity, thermal analysis and spectral (IR, UV, NMR and Mass) studies. The spectral data show that these ligands act in a monovalent bidentate fashion, co-ordinating through phenolic oxygen and azomethine nitrogen atoms. Chelates of Co(II), Ni(II) appear to be octahedral and Cu(II) appears to be distorted octahedral. To investigate the relationship between formation constants of binary complexes and antimicrobial activity, the dissociation constants of Schiff bases and stability constants of their binary metal complexes have been determined potentiometrically in aqueous solution at 30+/-1 degrees C and at 0.1 M KNO3 ionic strength and discussed. Antimicrobial activities of the Schiff bases and their complexes were screened. The structure-activity correlation in Schiff bases and their metal(II) complexes are discussed, based on the effect of their stability constants. It is observed that the activity enhances upon complexation and the order of activity is in accordance with stability order of metal ions.