Showing papers in "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy in 2007"

TL;DR: Transmission electron microscopy (TEM) micrograph showed the formation of well-dispersed gold nanoparticles in the range of 15-30 nm and may lead to the development of an easy bioprocess for synthesis of Au NPs.

TL;DR: In this paper, the polymer electrolytes composing of the blend of polyvinyl chloride-polymethyl methacrylate (PVC/PMMA) with lithium triflate (LiCF 3 SO 3 ) as salt, ethylene carbonate (EC) and dibutyl phthalate (DBP) as plasticizers and silica (SiO 2 ) as composite filler were prepared.

TL;DR: The correlation of the infrared spectra of zinc(II) carboxylates with their structures was investigated and conclusions about the carboxyate binding which resulted from the Delta values, were confronted with the crystal structure of the complexes.

TL;DR: The overall results ensure that NIR spectroscopy combined with SVM discrimination method can be efficiently utilized for rapid and simple identification of the different tea categories.

TL;DR: Four kinds of manganese oxides with either layered or tunnel structures were prepared by different methods; the structural features of the prepared materials were characterized by power X-ray diffraction, IR spectra and SEM observation.

TL;DR: The DFT and TD-DFT calculations provide direct evidence that the lowest pK(a) of curcumin corresponds to the dissociation of enolic proton, which not only reconciles the controversy on this topic, but also has important implications on the proton-transfer/dissociation-associated radical-scavenging mechanisms ofCurcumin.

TL;DR: The stoichiometric ratios and stability constants describing the extent of formation of the complexes have been determined by phase-solubility measurements and indicated that the complexes formed maintained the quercetin antioxidant activity.

TL;DR: The simulatedIR and Ra spectra for the five derivatives are compared with the experimental absorption spectra, and very good consistency has been obtained, and the lines of fit through plots of the experimental IR and Ra frequencies versus the calculated ones show very good correlations.

TL;DR: A new hydrazone ligand, HL, was prepared by the reaction of 7-chloro-4-hydrazinoquinoline with o-hydroxybenzaldehyde and it is clear that 8-OHqu behaves as monoprotic bidentate ligand in such mixed ligand complexes.

TL;DR: The newly developed direct spectrophotometric method was investigated for paracetamol (PC) determination in aqueous medium without using any chemical reagents and was successfully applied for PC determination in some locally available tablets and urine samples.

TL;DR: This study indicates that the basal spacings of the CTAB-Al-montmorillonite complexes and the amounts of Al-contained pillars strongly depend on the surfactant loadings in the clay interlayer space, resulted from the mobility variation of the intercalated surfactants.

TL;DR: A novel approach for the evaluation of various physico-mechanical properties of the rubber derivatives undertaken in the present study obtained by IR-based method are in good agreement with data resulted from the standard methods.

TL;DR: These experiments demonstrate that by using a frequency-doubled Nd:YAG pulsed laser co-radiating 1064 nm and 532 nm laser beams with a 5x beam expander, it is possible to measure simultaneously both the Raman and LIBS spectra of calcite, gypsum and elemental sulfur by adjusting the laser power electronically.

TL;DR: In this paper, the structure of Ag(I), Cu(II) and Au(III) complexes was investigated during the reaction of silver, copper, and gold ions with norfloxacin drug ligand and powder XRD studies confirm the amorphous nature of the complexes.

TL;DR: A comparison was made between PCR and PLS methods by application to simultaneous spectrophotometric determination of diphenylamine, a compound from the third European Union list of priority pollutants, and its environmentally related products aniline and phenol.

TL;DR: The instrument concept resulting from the assessment of the feasibility of the combined Raman/LIBS EBB is presented, focussing on the synergy of these two techniques.

TL;DR: The thermal dehydration and decomposition of these complexes were studied kinetically using the integral method applying the Coats-Redfern equation and it was found that the thermal decomposing of the complexes follow second order kinetics.

TL;DR: The theoretical spectrograms for FT-IR spectra of the title molecule have been constructed and scaled theoretical wavenumbers showed very good agreement with the experimental values.

TL;DR: The TGA curves show that the decomposition takes place in three steps for all complexes, and the antimicrobial activity properties of the ligands and their mono- and binuclear complexes have been studied against the bacteria and fungi.

TL;DR: A combined experimental and theoretical study on molecular and vibrational structure of benzimidazole and the theoretical spectrograms for FT-IR spectra of the title molecule have been constructed.

TL;DR: Four platinum(II) complexes of Schiff bases derived from salicylaldehyde and 2-furaldehyde with o- and p-phenylenediamine were reported and characterized based on their elemental analyses, IR and UV-vis spectroscopy and thermal analyses (TGA) and activity data show that the platinum( II) complexes are more potent antimicrobials than the parent Schiff base ligands against one or more microorganisms.

TL;DR: The antimicrobial activity of the obtained products, which indicate that in some cases metallation increase activity than the ligand, and the low molar conductance values suggest the non-electrolytic nature of these complexes.

TL;DR: X-ray diffraction patterns confirm that the ZnO thin films have polycrystalline nature and the dispersion parameters and optical constants of the films changed with In, Al and Sn dopants.

TL;DR: The experimental results showed that the Al-salophen complex bound to DNA by non-intercalative mode and major groove binding was the preferred mode of interaction.

TL;DR: 2-Chloro-N-(diethylcarbamothioyl)benzamide has been synthesized and characterized by elemental analysis and IR spectroscopy and the raw B3LYP frequencies approximate the experimental data much better than the results of Hartree-Fock.

TL;DR: The activity data show that the metal complexes to be more potent/antimicrobial than the parent Shciff base ligand against one or more microbial species.

TL;DR: FTIR spectra of ambers present discriminating patterns and can be used to distinguish amber from immature resins as copal, to determine local or Baltic origin of archaeological ambers and to detect most of the falsifications encountered in the amber commercialisation.

TL;DR: The results show that the doping degree of K+ ions is considerably higher than that of Co2+ ions under the same co-doping conditions possibly due to different pseudoprotonation constants of EB with K- ions and Co2- ions.

TL;DR: The synthesized dual-fluorophore-doped core-shell silica nanoparticles used as ratiometric pH sensor showed rapid response, excellent stability and high reproducibility as pH sensors.

TL;DR: The optimized geometry, frequency and intensity of the vibrational bands of 2,4-DNPH were obtained by the ab initio and density functional theory (DFT) levels of theory with complete relaxation in the potential energy surface using 6-31G(d, p) and 6-311G( d,p) basis sets.