On Hankel Transform of Generalized Mathieu Series

Mathematics Subject Classification: Primary 33E20, 44A10; Secondary 33C10, 33C20, 44A20

Síntese e caracterização de materiais mesoporosos para a captura de CO2: influência do óxido de níquel

Several materials are currently under study for the CO2 capture process, like the metal oxides and mixed metal oxides, zeolites, carbonaceous materials, metal-organic frameworks (MOF's) organosilica and modified silica surfaces. In this work, evaluated the adsorption capacity of CO2 in mesoporous materials of different structures, such as MCM-48 and SBA- 15 without impregnating and impregnated with nickel in the proportions 5 %, 10 % and 20 % (m/m), known as 5Ni-MCM-48, 10Ni-MCM-48, 20Ni-MCM-48 and 5Ni-SBA-15, 10NiSBA-15, 20Ni-SBA-15. The materials were characterized by means of X-ray diffraction (XRD), thermal analysis (TG and DTG), Fourier transform infrared spectroscopy (FT-IR), N2 adsorption and desorption (BET) and scanning electron microscopy (SEM) with EDS. The adsorption process was performed varying the pressure of 100 - 4000 kPa and keeping the temperature constant and equal to 298 K. At a pressure of 100 kPa, higher concentrations of adsorption occurred for the materials 5Ni-MCM-48 (0.795 mmol g-1 ) and SBA-15 (0.914 mmol g-1 ) is not impregnated, and at a pressure of 4000 kPa for MCM-48 materials (14.89 mmol g-1) and SBA-15 (9.97 mmol g-1) not impregnated. The results showed that the adsorption capacity varies positively with the specific area, however, has a direct dependency on the type and geometry of the porous structure of channels. The data were fitted using the Langmuir and Freundlich models and were evaluated thermodynamic parameters Gibbs free energy and entropy of the adsorption system

Estudo e aplicação da transformada de Fourier na regularização de dados sísmicos na exploração de petróleo

In the oil prospection research seismic data are usually irregular and sparsely sampled along the spatial coordinates due to obstacles in placement of geophones. Fourier methods provide a way to make the regularization of seismic data which are efficient if the input data is sampled on a regular grid. However, when these methods are applied to a set of irregularly sampled data, the orthogonality among the Fourier components is broken and the energy of a Fourier component may "leak" to other components, a phenomenon called "spectral leakage". The objective of this research is to study the spectral representation of irregularly sampled data method. In particular, it will be presented the basic structure of representation of the NDFT (nonuniform discrete Fourier transform), study their properties and demonstrate its potential in the processing of the seismic signal. In this way we study the FFT (fast Fourier transform) and the NFFT (nonuniform fast Fourier transform) which rapidly calculate the DFT (discrete Fourier transform) and NDFT. We compare the recovery of the signal using the FFT, DFT and NFFT. We approach the interpolation of seismic trace using the ALFT (antileakage Fourier transform) to overcome the problem of spectral leakage caused by uneven sampling. Applications to synthetic and real data showed that ALFT method works well on complex geology seismic data and suffers little with irregular spatial sampling of the data and edge effects, in addition it is robust and stable with noisy data. However, it is not as efficient as the FFT and its reconstruction is not as good in the case of irregular filling with large holes in the acquisition.

Estudo e aplicação da transformada de Fourier na regularização de dados sísmicos na exploração de petróleo

In the oil prospection research seismic data are usually irregular and sparsely sampled along the spatial coordinates due to obstacles in placement of geophones. Fourier methods provide a way to make the regularization of seismic data which are efficient if the input data is sampled on a regular grid. However, when these methods are applied to a set of irregularly sampled data, the orthogonality among the Fourier components is broken and the energy of a Fourier component may "leak" to other components, a phenomenon called "spectral leakage". The objective of this research is to study the spectral representation of irregularly sampled data method. In particular, it will be presented the basic structure of representation of the NDFT (nonuniform discrete Fourier transform), study their properties and demonstrate its potential in the processing of the seismic signal. In this way we study the FFT (fast Fourier transform) and the NFFT (nonuniform fast Fourier transform) which rapidly calculate the DFT (discrete Fourier transform) and NDFT. We compare the recovery of the signal using the FFT, DFT and NFFT. We approach the interpolation of seismic trace using the ALFT (antileakage Fourier transform) to overcome the problem of spectral leakage caused by uneven sampling. Applications to synthetic and real data showed that ALFT method works well on complex geology seismic data and suffers little with irregular spatial sampling of the data and edge effects, in addition it is robust and stable with noisy data. However, it is not as efficient as the FFT and its reconstruction is not as good in the case of irregular filling with large holes in the acquisition.

Structure, energetics and reactions of metal cation complexes of dipeptides in the gas phase

Structure, energetics and reactions of ions in the gas phase can be revealed by mass spectrometry techniques coupled to ions activation methods. Ions can gain enough energy for dissociation by absorbing IR light photons introduced by an IR laser to the mass spectrometer. Also collisions with a neutral molecule can increase the internal energy of ions and provide the dissociation threshold energy. Infrared multiple photon dissociation (IRMPD) or sustained off-resonance irradiation collision-induced dissociation (SORI-CID) methods are combined with Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometers where ions can be held at low pressures for a long time. The outcome of ion activation techniques especially when it is compared to the computational methods results is of great importance since it provides useful information about the structure, thermochemistry and reactivity of ions of interest. In this work structure, energetics and reactivity of metal cation complexes with dipeptides are investigated. Effect of metal cation size and charge as well as microsolvation on the structure of these complexes has been studied. Structures of bare and hydrated Na and Ca complexes with isomeric dipeptides AlaGly and GlyAla are characterized by means of IRMPD spectroscopy and computational methods. At the second step unimolecular dissociation reactions of singly charged and doubly charged multimetallic complexes of alkaline earth metal cations with GlyGly are examined by CID method. Also structural features of these complexes are revealed by comparing their IRMPD spectra with calculated IR spectra of possible structures. At last the unimolecular dissociation reactions of Mn complexes are studied. IRMPD spectroscopy along with computational methods is also employed for structural elucidation of Mn complexes. In addition the ion-molecule reactions of Mn complexes with CO and water are explored in the low pressures obtained in the ICR cell.

(Table 1) Salinity and dissolved organic carbon concentration of marine water (ANT-XIX/2) and mangrove porewater (Brazil)

The chemical structure of refractory marine dissolved organic matter (DOM) is still largely unknown. Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR-MS) was used to resolve the complex mixtures of DOM and provide valuable information on elemental compositions on a molecular scale. We characterized and compared DOM from two sharply contrasting aquatic environments, algal-derived DOM from the Weddell Sea (Antarctica) and terrigenous DOM from pore water of a tropical mangrove area in northern Brazil. Several thousand molecular formulas in the mass range of 300-600 Da were identified and reproduced in element ratio plots. On the basis of molecular elemental composition and double-bond equivalents (DBE) we calculated an average composition for marine DOM. O/C ratios in the marine samples were lower (0.36 ± 0.01) than in the mangrove pore-water sample (0.42). A small proportion of chemical formulas with higher molecular mass in the marine samples were characterized by very low O/C and H/C ratios probably reflecting amphiphilic properties. The average number of unsaturations in the marine samples was surprisingly high (DBE = 9.9; mangrove pore water: DBE = 9.4) most likely due to a significant contribution of carbonyl carbon. There was no significant difference in elemental composition between surface and deep-water DOM in the Weddell Sea. Although there were some molecules with unique marine elemental composition, there was a conspicuous degree of similarity between the terrigenous and algal-derived end members. Approximately one third of the molecular formulas were present in all marine as well as in the mangrove samples. We infer that different forms of microbial degradation ultimately lead to similar structural features that are intrinsically refractory, independent of the source of the organic matter and the environmental conditions where degradation took place.

BLOCK COPOLYMERS CONTAINING A LOW-SURFACE-ENERGY BLOCK AND THEIR APPLICATIONS

This thesis reports the synthesis and/or applications of three types of block copolymers that each bear a low-surface-energy block. First, poly(dimethylsiloxane)-block-poly(2-cinnamoyloxyethyl acrylate) (PDMS-b-PCEA) was synthesized and characterized. Cotton coating using a micellar solution of this block copolymer yielded superhydrophobic cotton fabrics. X-ray photoelectron spectroscopy (XPS) and surface property analyses indicated that the PDMS block topped the polymer coating. Photocuring the cotton swatches crosslinked the underlying PCEA layer and yielded permanent coatings. More interestingly, hydrophilically patterned superhydrophobic cotton fabrics were produced using photolithography that allowed the crosslinking of the coating around irradiated fibers but the removal, by solvent extraction, of the coating on fibers that were not irradiated. Since water-based ink only permeated the uncoated regions, such patterned fabric was further used to print ink patterns onto substrates such as fabrics, cardboard, paper, wood, and aluminum foil. Then, another PDMS-based diblock copolymer poly(dimethylsiloxane)-block-poly(glycidyl methacrylate) (PDMS-b-PGMA) was prepared. Different from PCEA that photocrosslinked around cotton fibers, PGMA reacted with hydroxyl groups on cotton fiber surfaces to get covalently attached. Further, different PGMA chains crosslinked with each other. PDMS-b-PGMA-coated cotton fabrics have been used for oil-water separations. In addition, polymeric nanoparticles were grafted onto cotton fiber surface before PDMS-b-PGMA was used to cover the surfaces of the grafted spheres and the residual surfaces of the cotton fibers. These two types of fabrics, coated by the block copolymer alone or by the polymer nanospheres and then the copolymer, were characterized by scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FT-IR), and water repellency analyses. A comprehensive comparative study was made of their performances in oil-water separation. Finally, a fluorinated ABC triblock copolymer poly(acrylic acid)-block-poly(2-cinnamoyloxyethyl methacrylate)-block-poly(2-perfluorooctylethyl methacrylate) (PAA-b-PCEMA-b-PFOEMA) was used to iii encapsulate air nanobubbles. The produced air nanobubbles were thermodynamically stable in water and were some 100 times more stable than commercially available perfluorocarbon-filled microbubbles under ultrasound. These nanobubbles, due to their small sizes and thus ability to permeate the capillary networks of organs and to reach tumors, may expand the applications of microbubbles in diagnostic ultrasonography and find new applications in ultrasound-regulated drug delivery.

Continuous statistical modelling for rapid detection of adulteration of extra virgin olive oil using mid infrared and Raman spectroscopic data

The main objective of this work was to develop a novel dimensionality reduction technique as a part of an integrated pattern recognition solution capable of identifying adulterants such as hazelnut oil in extra virgin olive oil at low percentages based on spectroscopic chemical fingerprints. A novel Continuous Locality Preserving Projections (CLPP) technique is proposed which allows the modelling of the continuous nature of the produced in-house admixtures as data series instead of discrete points. The maintenance of the continuous structure of the data manifold enables the better visualisation of this examined classification problem and facilitates the more accurate utilisation of the manifold for detecting the adulterants. The performance of the proposed technique is validated with two different spectroscopic techniques (Raman and Fourier transform infrared, FT-IR). In all cases studied, CLPP accompanied by k-Nearest Neighbors (kNN) algorithm was found to outperform any other state-of-the-art pattern recognition techniques.

Synthesis and evaluation of temperature- and glucose-sensitive nanoparticles based on phenylboronic acid and N-vinylcaprolactam for insulin delivery

Poly N-vinylcaprolactam-co-acrylamidophenylboronic acid p(NVCL-co-AAPBA) was prepared from N-vinylcaprolactam (NVCL) and 3-acrylamidophenylboronic acid (AAPBA), using 2,2-azobisisobutyronitrile (AIBN) as initiator. The synthesis and structure of the polymer were examined by Fourier Transform infrared spectroscopy (FT-IR) and 1H-NMR. Dynamic light scattering (DLS), lower critical solution temperature (LCST) and transmission electron microscopy (TEM) were utilized to characterize the nanoparticles, CD spectroscopy was used to determine if there were any changes to the conformation of the insulin, and cell and animal toxicity were also investigated. The prepared nanoparticles were found to be monodisperse submicron particles and were glucose- and temperature-sensitive. In addition, the nanoparticles have good insulin-loading characteristics, do not affect the conformation of the insulin and show low-toxicity to cells and animals. These p(NVCL-co-AAPBA) nanoparticles may have some value for insulin or other hypoglycemic protein delivery.

Characterization of rice starch- ι-carrageenan biodegradable edible film. Effect of stearic acid on the film properties

The main aim of this study was to develop rice starch (RS), ι-carrageenan (ι-car) based film. Different formulations of RS (1-4%, w/w), ι-car (0.5-2%, w/w) was blended with stearic acid (SA; 0.3-0.9%, w/w) and glycerol (1%, w/w) as a plasticizer. The effect of film ingredients on the thickness, water vapour permeability (WVP), film solubility (FS), moisture content (MC), colour, film opacity (FO), tensile strength (TS), elongation-at-break (EAB) of film was examined. Interactions and miscibility of partaking components was studied by using Fourier transform infrared spectroscopy (FT-IR) and X-ray diffraction (XRD). Hydrocolloid suspension solution of mix polysaccharides imparted a significant impact (p<0.05) on the important attributes of resulting edible film. TS and EAB of film were improved significantly (p<0.05) when ι-car was increased in the film matrix. Formulation F1 comprising 2% ι-car, 2% 33 RS, 0.3% SA, Gly 30% w/w and 0.2% surfactant (tween®20) provided film with good 34 physical, mechanical and barrier properties. FT-IR and XRD results reveal that molecular interactions between RS-ι-car have a great impact on the film properties confining the compatibility and miscibility of mixed polysaccharide. Results of the study offers new biodegradable formulation for application on fruit and vegetables.

Double Fourier analysis for Emotion Identification in Voiced Speech

We propose a novel analysis alternative, based on two Fourier Transforms for emotion recognition from speech -- Fourier analysis allows for display and synthesizes different signals, in terms of power spectral density distributions -- A spectrogram of the voice signal is obtained performing a short time Fourier Transform with Gaussian windows, this spectrogram portraits frequency related features, such as vocal tract resonances and quasi-periodic excitations during voiced sounds -- Emotions induce such characteristics in speech, which become apparent in spectrogram time-frequency distributions -- Later, the signal time-frequency representation from spectrogram is considered an image, and processed through a 2-dimensional Fourier Transform in order to perform the spatial Fourier analysis from it -- Finally features related with emotions in voiced speech are extracted and presented

Thermomechanical sensitivity of microcantilever in the mid-infrared spectral region

This paper reports the thermomechanical sensitivity of bimaterial cantilevers over a mid-infrared (IR) spectral range (5-10 µm) that is critical both for chemical analysis via vibrational spectroscopy and for direct thermal detection in the 300-700 K range. Mechanical bending sensitivity and noise were measured and modeled for six commercially available microcantilevers, which consist of either an aluminum film on a silicon cantilever or a gold film on a silicon nitride cantilever. The spectral sensitivity of each cantilever was determined by recording cantilever deflection when illuminated with IR light from a monochromator. Rigorous modeling and systematic characterization of the optical system allowed for a quantitative estimate of IR energy incident upon the cantilever. Separately, spectral absorptance of the cantilever was measured using Fourier transform infrared (FT-IR) microscopy, which was compared with analytical models of radiation onto the cantilever and heat flow within the cantilever. The predictions of microcantilever thermomechanical bending sensitivity and noise agree well with measurements, resulting in a ranking of these cantilevers for their potential use in IR measurements.

Desenvolvimento e validação de metodologia analítica para quantificação de urânio em compostos do ciclo do combustível nuclear por espectroscopia no infravermelho com transformada de Fourier (FTIR)

Tese (Doutorado em Tecnologia Nuclear)

Síntese e impregnação de peneiras moleculares Fe MCM-41 derivada de sílica da casca do arroz

The mesoporous molecular sieves of the MCM-41 and FeMCM-41 type are considered promissory as support for metals used as catalysts in oil-based materials refine processes and as adsorbents for environmental protection proposes. In this work MCM-41 and FeMCM41 were synthesized using rice husk ash - RHA as alternative to the conventional silica source. Hydrothermal synthesis was the method chosen to prepare the materials. Pre-defined synthesis parameters were 100°C for 168 hours, later the precursor was calcinated at 550°C for 2 hours under nitrogen and air flow. The sieves containing different proportions of iron were produced by two routes: introduction of iron salt direct synthesis; and a modification post synthesis consisting in iron salt 1 % and 5% impregnation in the material followed by thermal decomposition. The molecular sieves were characterized by X ray diffraction XRD, Fourier transform infrared spectroscopy FT-IR, X ray fluorescence spectroscopy XFR, scanning electronic microscopy SEM, specific surface area using the BET method, Termogravimetry TG. The kinetic model of Flynn Wall was used with the aim of determining the apparent activation energy of the surfactant remove (CTMABr) in the MCM- 41 porous. The analysis made possible the morphology characterization, identifying the presence of hexagonal structure typical for mesoporous materials, as well as observation of the MCM41 and iron of characteristic bands.

Green synthesis of silver nanoparticles using Arbutus andrachne leaf extract and its antimicrobial activity

Purpose: To synthesize silver nanoparticles (AgNPs) of Arbutus andrachne leaf water extract (LE) and to evaluate the antimicrobial activity of both LE and AgNPs. Methods: The synthesized AgNPs were characterized using the following techniques: ultraviolet-visible spectroscopy (UV-vis), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), thermal gravimetric analysis (TGA), X-ray diffraction (XRD) analysis, and analysis of particle size (PS) and zeta potential (ZP). The antimicrobial activities of LE and NPs were assessed by Kirby-Bauer disc diffusion (DD) and broth microdilution (MD) methods according to the recommendations of the Clinical and Laboratory Standards Institute (CLSI). LE and AgNPs were examined against fresh cultures of four Gram-positive and five Gram-negative bacteria, and three yeast strains. Results: AgNPs were successfully synthesized and characterized using Arbutus andrachne LE. The AgNPs showed moderate antibacterial activity against Staphylococcus aureus ATCC 6538p, S. epidermidis ATCC 12228, Escherichia coli ATCC 29998, Klebsiella pnemoniae ATCC 13883 and Pseudomonas aeruginosa ATCC 27853, and also antifungal activity against Candida albicans ATCC 10239 and C. krusei ATCC 6258. Conclusions: Due to the potent activity of AgNPs against Gram-positive and Gram-negative bacteria, and yeast strains, it is suggested that AgNPs are potential broad spectrum antimicrobial agents.