Showing papers in "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in 2011"

TL;DR: The results suggest that the synthesized AgNPs act as an effective antibacterial agent.

TL;DR: The electronic structure of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol has been characterized by the B3LYP/6-31G(d) level by using density functional theory and the non-linear optical properties have been computed with the same level of theory.

TL;DR: A facile bottom-up 'green' and rapid synthetic route using Murraya Koenigii leaf extract as reducing and stabilizing agent produced silver nanoparticles at ambient conditions and gold nanoparticles with size ∼20 nm with SPR at 532 nm.

TL;DR: A green chemistry approach for the biosynthesis of Au, Ag, Au-Ag alloy and Au core-Ag shell nanoparticles using the aqueous extract and dried powder of Anacardium occidentale leaf is reported.

TL;DR: This paper presents a collection of Raman spectra of 18 kinds of amino acids and their aqueous solutions that can serve as references for the interpretation of RamaSpectra of proteins and biological materials.

TL;DR: Infrared (IR) spectroscopic studies of mineral and synthetic phosphates have been presented and the influence of non-tetrahedral cations on the shape of the spectra and the positions of bands has been analysed and the crystalline field splitting effect has been discussed.

TL;DR: A facile and rapid biosynthesis of well-dispersed silver nanoparticles is reported, which provides faster synthesis comparable to chemical methods and can be used in areas such as cosmetics, foods and medical applications.

TL;DR: A green method for the synthesis of gold nanoparticles using the aqueous extract of rose petals is reported, and it was found to be about 10nm high quality, high rate of the reaction and completed within 5 min.

TL;DR: It was proven that application of FT-IR techniques allows not only to identify phases, but also to explain structural changes in the systems studied to explain the reason of the change in mechanical characteristics of the nanocomposites.

TL;DR: The green synthesis of silver nanoparticles using aqueous seed extract of Macrotyloma uniflorum is reported, showing the appearance of signatory brown colour of the solution and UV-vis spectra and the possibility of different functional groups in capping the nanoparticles.

TL;DR: Curcumin decay properties in all the solvents could be fitted well to a double-exponential decay function and π* scale of solvent polarity was found compared to λabsmax or λemmax or Stokes' shift measurements.

TL;DR: Na-bentonite has been studied extensively because of its strong adsorption capacity and complexation ability and in this work, surface area, total pore volume, mean pore diameter, TG, DTA, FT-IR and XRD were carried out in order to reveal the characteristics of natural Na- bentonite.

TL;DR: Fourier transform infrared spectroscopy studies of poly(vinyl alcohol) (PVA), and chitosan polymer blend doped with ammonium nitrate (NH(4)NO(3)) salt and plasticized with ethylene carbonate (EC) have been performed with emphasis on the shift of the carboxamide, amine and hydroxyl bands.

TL;DR: Natural rubber latex extracted from H. brasiliensis can be employed in the preparation of stable aqueous dispersions of silver nanoparticles acting as a dispersing and/or capping agent.

TL;DR: The photocatalytic degradation of a genotoxic azo dye Acid Violet 7 (AV 7) using ZnO as a photocatalyst in aqueous solution has been investigated under UV irradiation and follows pseudo-first order kinetics according to the Langmuir-Hinshelwood model.

TL;DR: The first novel rhodamine B based sensor capable of detecting both Cu(2+) and Hg( 2+) using two different detection modes has been designed and synthesized and is proven to be hardly influenced by other coexisting metal ions.

TL;DR: Spherical shaped ZnO nanopowders (14-50 nm) were synthesized by a low temperature solution combustion method in a short time <5 min and SEM micrographs reveal that the particles are spherical in shape and the powders contained several voids and pores.

TL;DR: The optimized geometry of BBC using density functional theory shows that the energetically favored chair conformation is not observed for central cyclohexanone ring and is found to possess a nearly 'half chair' conformation and shows less expansion of the angles and more rotation about the bonds.

TL;DR: In this article, multivariate analysis was used to determine the pKa values of Xanthenes derivatives, including eosin Y, erythrosin B and bengal rose B, and also for other synthesized derivatives.

TL;DR: The natural bond orbital (NBO) analysis confirms the occurrence of strong intra and intermolecular N-H⋯O hydrogen bonding.

TL;DR: Protonation constants of (ATS) ligand and stability constants of its Cu2+, Co2+, Mn2+ and Ni2+ complexes were determined by potentiometric titration method in 50% (v/v) DMSO-water solution at ionic strength of 0.1 M NaNO3.

TL;DR: The linear polarizabilities and first hyperpolarizabilities of the studied molecule indicate that the title compound can be used as a good nonlinear optical material.

TL;DR: It is concluded that RRS method can be applied to the simultaneous determination of the CPMC, FCMC and SCMC values of surfactants in a sensitive, accurate and no probe way.

TL;DR: The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule and the calculation results were applied to simulate infrared and Raman spectra of the title compound which show good agreement with observed spectra.

TL;DR: The results of IR and IES supports the concept that the formula of nesquehonite is better defined as Mg(OH)(HCO(3))·2H(2)O, which is supported by thermoanalytical results.

TL;DR: Time resolved rise and decay photocurrent spectra are found to exhibit anomalous photoconductivity for as-synthesized as well as annealed ZnO NPs wherein the photocurrent decreases even during steady illumination.

TL;DR: It is found that the antioxident activity of Ln(III) complexes on DPPH(•) is concentration dependent and higher than that of the free ligand L.

TL;DR: A one-pot four component synthesis of pyranopyroles from aryl aldehydes, ethyl acetoacetate, malononitrile and hydrazine hydrate in the presence of catalytic amounts of an organocatalyst imidazole in water as medium is described.

TL;DR: It was proved that, in both cases, the fluorescence quenching of BSA by the quantum dots is mainly a result of the formation of QDs-BSA complex in solution.

TL;DR: The static and frequency dependent average polarizability (), first- and second-hyperpolarizabilities ( and ) and highest occupied molecular orbital (HOMO) and lowest occupied molecular orbitals (LUMO) energies of nonlinear optical chromophores with nitro acceptors 1-5 have been investigated by using the Austin Model 1 (AM1), Modified Neglect of Diatomic Overlap (MNDO), Parameterization Method 3 (PM3), Recife Model