Intermolecular And Surface Forces

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Ionic liquids are remarkable chemical compounds, which find applications in many areas of modern science. Because of their highly tunable nature and exceptional properties, ionic liquids have become essential players in the fields of synthesis and catalysis, extraction, electrochemistry, analytics, biotechnology, etc. Apart from physical and chemical features of ionic liquids, their high biological activity has been attracting significant attention from biochemists, ecologists, and medical scientists. This Review is dedicated to biological activities of ionic liquids, with a special emphasis on their potential employment in pharmaceutics and medicine. The accumulated data on the biological activity of ionic liquids, including their antimicrobial and cytotoxic properties, are discussed in view of possible applications in drug synthesis and drug delivery systems. Dedicated attention is given to a novel active pharmaceutical ingredient-ionic liquid (API-IL) concept, which suggests using traditional drugs in ...

Biological Activity of Ionic Liquids and Their Application in Pharmaceutics and Medicine.

Energy storage technologies, including storage types, categorizations and comparisons, are critically reviewed. Most energy storage technologies are considered, including electrochemical and battery energy storage, thermal energy storage, thermochemical energy storage, flywheel energy storage, compressed air energy storage, pumped energy storage, magnetic energy storage, chemical and hydrogen energy storage. Recent research on new energy storage types as well as important advances and developments in energy storage, are also included throughout.

A review of energy storage types, applications and recent developments

The past decade has seen a boom in environmental adsorption studies on the adsorptive removal of pollutants from the aqueous phase. A large majority of works treat kinetic modeling as a mere routine to describe the macroscopic trend of adsorptive uptake by using common models, often without careful appraisal of the characteristics and validity of the models. This review compiles common kinetic models and discusses their origins, features, modified versions (if any), and applicability with regard to liquid adsorption modeling for both batch adsorption and dynamic adsorption systems. Indiscriminate applications, ambiguities, and controversies are highlighted and clarified. The appropriateness of linear regression for correlating kinetic data is discussed. This review concludes with a note on the current scenario and the future of kinetics modeling of liquid adsorption.

Insight into the adsorption kinetics models for the removal of contaminants from aqueous solutions

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Correction to: Sustainable Green Chemical Processes and their Allied Applications

A novel Schiff base, N’-(4-(diethylamino)-2-hydroxybenzylidene) isonicotinohydrazide (S1) was synthesised by the condensation reaction between isonicotinohydrazide and 4-(diethylamino)-2-hydroxyben...

N’-(4-(diethylamino)-2-hydroxybenzylidene) isonicotinohydrazide based chemosensor for nanomolar detection of Ni(II) ion

Optical Properties and Applications of Semiconductors

\n\nNanocomposites are of great interest due to their competency to show multifunctional\nproperties. They have been recently given much attention due to their credibility to offer the synergistic\nfeature of organic material with those of inorganic constituents. Different types of nanocomposites have\nbeen prepared to date and are being used for different applications. The delivery of drugs in the human body\nat a particular site was one of the major problems in the medicinal field. The nanocomposite formulations\ncan be used to provide controlled release and they can be combined with ligands for targeted drug delivery.\nApplications of the nanocomposites as ion exchangers are also increasing at a faster rate. Due to this, they\nhelp in the softening of the water. They can also be easily recharged by washing them with a solution containing\na high concentration of sodium ions. In the present paper, we have worked on the synthesis and applications\nof the polysorbate/ironmolybdophosphate (PS/FMP) nanocomposite.\n\n\n\nPolysorbate/ironmolybdophosphate (PS/FMPS) was synthesized by co-precipitation method in the\npresence of polysorbate. The material was well characterized using X-ray diffraction (XRD) analysis, Fourier\ntransform infrared spectroscopy, (FTIR) scanning transmission microscopy (SEM), and transmission electron\nmicroscopy (TEM). Physicochemical properties of material were studied in detail. Drug delivery behavior\nof polysorbate/ironmolybdophosphate was investigated by using methylcobalamin as a test drug.\n\n\n\nThe polysorbate/ironmolybdophosphate nanocomposite show enhanced Na+ ion exchange capacity\nof 2.1 meq/g. It has been revealed that PS/FMP nanocomposite was thermally stable as it retained the ion\nexchange capacity of 40.4 % at 400°C. An optimum concentration of sodium nitrate (eluent) was found to\nbe 1.0 M for the complete removal of H+ ions from the PS/FMP column. The optimum volume of sodium\nnitrate (eluent) was found to be 230 mL. The FTIR spectra showed the changes in intensities of characteristic\npeaks in PS/FMP and in drug loaded on PS/FMP nanocomposite. The characteristic peak at 1043-1061\ncm-1 was observed for ionic phosphate stretching, 560-567 cm-1 for iron group and 959 cm-1 due to molybdate\npresent in the material. The additional peak at 3390 cm-1 and 1711 cm-1 were due to -OH and C=O\nstretching due to the presence of these groups in the structure of polysorbate. The peak present at 430 cm-1\nmight be due to the presence of Co-O stretching of methylcobalamin. The XRD results confirmed the semicrystalline\nstructure of FMP and PS/FMP. Scanning electron micrographs results revealed the beaded surface\nof FMP changes to fibrous surface in case of PS/FMP nanocomposite. The TEM images indicate the\nappearance of smooth surfactant layer on the surface of FMP. The size of the nanocomposite is between 10-\n70 nm. The drug loading efficiency and encapsulation efficiency were found to be 35.2%. and 60.4%, respectively.\nThe cumulative drug release of methylcobalamin was studied for the PS/FMP nanocomposite.\nThe order of drug release was found to be pH 9.4 (54.6%) > pH 7.4 (46.4%) > saline (pH 5.7) (36.2%) > pH\n2.2 (33.9%). The release at pH 9.4 was higher. As the pH of medium changes from acidic to basic i.e. 2.2 -\n9.4, there is an appreciable increase in drug release from the PS/FMP nanocomposite due to the presence of\nmore OH- ions resulting in neutralization of cationic nanocomposite and thus increasing the rate of drug release\nby ion exchange process and matrix deterioration.\n\n\n\n The novel nanocomposite PS/FMP has been synthesized by a simple co-precipitation method.\nThe increase in Na+ ion exchange capacity for nanocomposite is due to the binding of organic part (Polysorbate)\nwith inorganic ironmolybdophosphate. The physiochemical properties of PS/FMP were found to be\nsuperior. Fourier transform infrared spectra of PS/FMP and drug loaded PS/FMP confirmed the formation of\nmaterials. The SEM results indicated the surface of synthesized FMP is bead-like appearance whereas the\nbeaded surface of FMP changes to fibrous surface on the addition of polysorbate thus indicated the fabrication\nof nanocomposite. The cumulative drug release of methylcobalamin was studied and the order of drug\nrelease was found to be pH 9.4 > pH 7.4 > saline (pH 5.7) > pH 2.2. Thus PS/FMP is a promising multifunctional\nnanocomposite.\n

Fabrication and Characterization of Polysorbate/Ironmolybdophosphate Nanocomposite: Ion Exchange Properties and pH-responsive Drug Carrier System for Methylcobalamin

A simple, selective and surfactant assisted spectrophotometric method was developed for the determination of glyphosate herbicide in its formulation. The absorption spectra of glyphosate-ninhydrin RuhemannÂÂs purple colored complex obtained in basic medium of pH 8 and at a temperature of 100iÂ°C showedmaximumabsorption at 570nm. The effect of various categories of surfactants showed that the absorption of colored complex was foundmaximumin presence of Tx-100.

Inamuddin

Papers

Correction to: Sustainable Green Chemical Processes and their Allied Applications

N’-(4-(diethylamino)-2-hydroxybenzylidene) isonicotinohydrazide based chemosensor for nanomolar detection of Ni(II) ion

Optical Properties and Applications of Semiconductors

Fabrication and Characterization of Polysorbate/Ironmolybdophosphate Nanocomposite: Ion Exchange Properties and pH-responsive Drug Carrier System for Methylcobalamin

Surfactant assisted spectrophotometric determination of glyphosate in its formulation