Jyotsna S. Meshram

Adsorption of phenol and o-chlorophenol by mesoporous MCM-41

Water pollution by toxic organic compounds is of concern and the demand for effective adsorbents for the removal of toxic compounds is increasing. Present work deals with the adsorption of phenol (PhOH) and o-chlorophenol (o-CP) on mesoporous MCM-41 material. The effect of surfactant template in MCM-41 on the removal of PhOH and o-CP was investigated. The comparison of adsorption of PhOH and o-CP on uncalcined MCM-41 (noted as MCM-41) and calcined MCM-41 (noted as C-MCM-41) was investigated. It was found that MCM-41 shows significant adsorption for PhOH and o-CP as compared to C-MCM-41, this may be because of the hydrophobicity created by surfactant template in the MCM-41. Batch adsorption studies were carried out to study the effect of various parameters like adsorbent dose, pH, initial concentration and the presence of co-existing ions. It was found that adsorption of PhOH and o-CP depends upon the solution pH as well as co-existing ions present in the aqueous solution. The equilibrium adsorption data for PhOH and o-CP was analyzed by using Freundlich adsorption isotherm model. From the sorption studies it was observed that the uptake of o-CP was higher than PhOH.

Pharmacophores modeling in terms of prediction of theoretical physico-chemical properties and verification by experimental correlations of novel coumarin derivatives produced via Betti’s protocol

A general, simple and straight forward approach to new substituted coumarin derivatives via Bettis condensation reaction of aromatic aldehydes, coumarin and ammonia precursors has been demonstrated successfully under mild reaction conditions. All the synthesized molecules were characterized on the basis of IR, (1)H NMR, (13)C NMR, Mass spectrometry and Elemental data. We have reported the design and calculated molecular properties of some coumarin derivatives on the basis of hypothetical antibacterial pharmacophores, structures which were designed to interact with both of gram positive and gram negative bacteria. A correlation of structure and activities relationship of these compounds with respect to molecular modeling, Lipinski rule of five, drug likeness, toxicity profiles and other physico-chemical properties of drugs are described and verified experimentally.

Microwave assisted synthesis and characterization of N,N′-bis(salicylaldehydo)ethylenediimine complexes of Mn(II), Co(II), Ni(II), and Zn(II)

Microwave chemistry is a green chemical method that improves reaction conditions and product yields while reducing solvent amounts and reaction times. The main aim of this article is to synthesize the tetradentate N2O2 ligand [HO(Ar)CH=N–(CH2)2–N=CH(Ar)OH] and manganese(II), cobalt(II), nickel(II), and zinc(II) complexes of the type ML by classical and microwave techniques. The resulting Schiff base and its complexes are characterized by 1H NMR, infrared, elemental analysis, and electronic spectral data. The ligand and its Co(II) and Mn(II) complexes were further identified by X-ray diffraction and mass spectra to confirm the structure. The results suggest that the metal is bonded to the ligand through the phenolic oxygen and the imino nitrogen.

Exploring microwave synthesis for co-ordination: synthesis, spectral characterization and comparative study of transition metal complexes with binuclear core derived from 4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

A series of transition metal complexes of Cu(II), Ni(II), Co(II), Mn(II), Zn(II), Hg(II), and Sn(II) has been synthesized from the Schiff base (L) derived from 4-aminoantipyrine and 4-fluoro-benzaldehyde using traditional synthetic methodology and microwave-induced organic reaction enhancement (MORE) technique. A benign, simple, and versatile route to a Schiff-base ligand and its metal complexes has been explored. Neat reactants were subjected to microwave irradiation giving the required products more quickly and in better yield compared to the classical methodology. Structural features were obtained from elemental analysis, molar conductivity, 1H-NMR, mass, UV-Vis, and FTIR spectroscopy and X-ray diffraction. The data show that these complexes are ML2. The MORE method for synthesis is easy, convenient, and ecofriendly as compared to the traditional synthetic method.

Predictions and correlations of structure activity relationship of some aminoantipyrine derivatives on the basis of theoretical and experimental ground

A series of 4-aminoantipyrine derivatives were produced by condensing aromatic primary amine, namely, 4-aminoantipyrine with different aryl carbonyls which occurred cleanly and efficiently without using any catalyst at room temperature. Their structures were confirmed on the basis of 1H NMR, IR, Mass spectra, and elemental analysis. The synthesized library was screened virtually using versatile bioinformatics parameters owing to the quick access, biological response, and utility of the produced moieties. The virtually screened molecules were subjected to screen practically against certain some strain of microorganisms: Staphylococcus aureus (Gram positive), Pseudomonas vulgaris (Gram positive), Pseudomonas Aeruginosa (Gram negative), and Escherichia coli (Gram negative). A correlation of structure and activities relationship of these compounds with respect to molecular modeling, Lipinski rule of five, drug-likeness, toxicity profiles, and other physico-chemical properties of drugs is described and verified experimentally.

Benign methodology and improved synthesis of 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydroisoxazoline using acetic acid aqueous solution under ultrasound irradiation.

In the present paper, we have executed the synthesis of substituted 5-(2-chloroquinolin-3-yl)-3-phenyl-4,5-dihydroisoxazolines via the reactions of substituted 3-(2-chloroquinolin-3-yl)-1-phenylprop-2-en-1-ones with hydroxylamine hydrochloride and sodium acetate in aqueous acetic acid solution in 72-90% yields at room temperature under ultrasound irradiation. This method provides several advantages such as operational simplicity, higher yield, safety and environment friendly protocol. The resulting substituted isoxazolines were characterized on the basis of (1)H NMR, (13)C NMR, IR, elemental analysis, and mass spectral data.

Zeolite as an efficient and recyclable activation surface for the synthesis of bis-thiazolidinones: theoretical screening owing to experimental biology

Abstract Zeolite 5Å has been used as an efficient and cost effective activating catalyst for the synthesis of bis-thiazolidinones 4 (a–h) starting from bis-imines 3 (a–h) and thioacetic acid. The reactions were performed under microwave irradiation in solventless condition. The catalyst was recycled and used for several times. This reaction is scalable to multigram scale and the methodology has resulted in an efficient synthesis. A benign, environmentally friendly, efficient, and extremely fast procedure for synthesis of bis-thiazolidinones has been demonstrated. The produced bis-thiazolidinone molecules were characterized on the basis of elemental analysis, IR, mass, and 1H-NMR spectral data. The synthesized moieties were screened virtually using some of bioinformatical softwares and discussed.

Photocatalytic Degradation of Phenolics by N-Doped Mesoporous Titania under Solar Radiation

In this study, nitrogen-doped mesoporous titania was synthesized by templating method using chitosan. This biopolymer chitosan plays the dual role of acting as a template (which imparts mesoporosity) and precursor for nitrogen. BET-SA, XRD, UV-DRS, SEM, and FTIR were used to characterize the photocatalyst. The doping of nitrogen into TiO2 lattice and its state was substantiated and measured by XPS. The photocatalytic activity of the prepared N-doped mesoporous titania for phenol and o-chlorophenol degradation was investigated under solar and artificial radiation. The rate of photocatalytic degradation was observed to be higher for o-chlorophenol than that of phenol. The photodegradation of o-chlorophenol was 98.62% and 72.2%, while in case of phenol, degradation to the tune of 69.25% and 30.58% was achieved in solar and artificial radiation. The effect of various operating parameters, namely, catalyst loading, pH, initial concentration and the effect of coexisting ions on the rate of photocatalytic degradation were studied in detail.

Prediction of theoretical physicochemical properties and one-pot synthesis of bis-azetidinones by [2+2] ketene--imine cycloaddition in the presence of montmorillonite.

A simple, highly efficient and environmentally friendly microwave accelerated one-pot synthesis of a series of differently substituted bis-azetidinones have been synthesized expeditiously in good yields from 1,2-diaminoethane and aromatic aldehydes in the presence of zeolite. The structures of the newly synthesized compounds were confirmed by IR, NMR, and mass spectra. The design and calculated molecular properties of all the reported compounds are on the basis of hypothetical antibacterial pharmacophores, which were formulated to interact with microorganisms. A correlation of structure and activity relationship of these compounds with respect to Lipinski rules and drug likeness properties of drugs are described and verified experimentally.

Design, synthesis and pharmacological assay of novel azo derivatives of dihydropyrimidinones

Abstract The present work deals with the synthesis of some novel azo derivatives of dihydropyrimidinones. The structures of newly synthesized compounds were established on the basis of their FTIR, 1H NMR, Mass spectrometry and elemental analysis data results. The synthesized agents were assessed for their in vivo anti-inflammatory activity on the Wistar albino rats. The compounds were also screened for their anthelmintic activity on Indian earthworms and anti-bacterial activity against some Gram-positive and Gram-negative strains of bacteria. This pharmacological activity appraisal unveils that among all the compounds screened, compounds 4b, 4c and 4g were found to have potential anti-inflammatory activity. Furthermore, compounds 4b and 4c exhibited appreciable anthelmintic properties while compounds 4b and 4d showed leading anti-bacterial activity against the selected pathogenic strains of bacteria.