High resolution infrared spectroscopy techniques for upper atmospheric measurements : proceedings of a workshop held at Silverthorne, Colorado, July 31-August 2, 1979 /

Includes bibliographical references.

Analysis of petroleum products by means of infrared spectroscopy; literature survey of infrared spectroscopy.

Reproduced from typewritten copy.

Chemical infrared spectroscopy.

Includes bibliographies.

Quantification of hydroxycinnamic acids and lignin in perennial forage and energy grasses by Fourier-transform infrared spectroscopy and partial least squares regression

Levels of lignin and hydroxycinnamic acid wall components in three genera of forage grasses (Lolium,Festuca and Dactylis) have been accurately predicted by Fourier-transform infrared spectroscopy using partial least squares models correlated to analytical measurements. Different models were derived that predicted the concentrations of acid detergent lignin, total hydroxycinnamic acids, total ferulate monomers plus dimers, p-coumarate and ferulate dimers in independent spectral test data from methanol extracted samples of perennial forage grass with accuracies of 92.8%, 86.5%, 86.1%, 59.7% and 84.7% respectively, and analysis of model projection scores showed that the models relied generally on spectral features that are known absorptions of these compounds. Acid detergent lignin was predicted in samples of two species of energy grass, (Phalaris arundinacea and Pancium virgatum) with an accuracy of 84.5%.

Measurement of key compositional parameters in two species of energy grass by Fourier transform infrared spectroscopy

Two energy grass species, switch grass, a North American tuft grass, and reed canary grass, a European native, are likely to be important sources of biomass in Western Europe for the production of biorenewable energy. Matching chemical composition to conversion efficiency is a primary goal for improvement programmes and for determining the quality of biomass feed-stocks prior to use and there is a need for methods which allow cost effective characterisation of chemical composition at high rates of sample through-put. In this paper we demonstrate that nitrogen content and alkali index, parameters greatly influencing thermal conversion efficiency, can be accurately predicted in dried samples of these species grown under a range of agronomic conditions by partial least square regression of Fourier transform infrared spectra (R2 values for plots of predicted vs. measured values of 0.938 and 0.937, respectively). We also discuss the prediction of carbon and ash content in these samples and the application of infrared based predictive methods for the breeding improvement of energy grasses.

Observation of a 331 K (58 °C) spin transition for bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(II) by variable temperature infrared spectroscopy and magnetic susceptibility measurements

Fe{HB(CHN)} is observed by variable temperature infrared and magnetic studies to have a spin transition between the low spin S = 0 and high spin S = 2 states at 331 K (58 °C) with thermal hysteresis of ~1.5 K. Changes in the triazole ligand IR absorptions demonstrate that distant non-metal-ligand vibrations are altered upon the change in electronic structure associated with the spin-crossover can be used to monitor the the spin-crossover transition.

Functional near infrared spectroscopy study of language, joint attention and motor skills

Near infrared spectroscopy (NIRS) is an emerging non-invasive optical neuro imaging technique that monitors the hemodynamic response to brain activation with ms-scale temporal resolution and sub-cm spatial resolution. The overall goal of my dissertation was to develop and apply NIRS towards investigation of neurological response to language, joint attention and planning and execution of motor skills in healthy adults. Language studies were performed to investigate the hemodynamic response, synchrony and dominance feature of the frontal and fronto-temporal cortex of healthy adults in response to language reception and expression. The mathematical model developed based on granger causality explicated the directional flow of information during the processing of language stimuli by the fronto-temporal cortex. Joint attention and planning/ execution of motor skill studies were performed to investigate the hemodynamic response, synchrony and dominance feature of the frontal cortex of healthy adults and in children (5-8 years old) with autism (for joint attention studies) and individuals with cerebral palsy (for planning/execution of motor skills studies). The joint attention studies on healthy adults showed differences in activation as well as intensity and phase dependent connectivity in the frontal cortex during joint attention in comparison to rest. The joint attention studies on typically developing children showed differences in frontal cortical activation in comparison to that in children with autism. The planning and execution of motor skills studies on healthy adults and individuals with cerebral palsy (CP) showed difference in the frontal cortical dominance, that is, bilateral and ipsilateral dominance, respectively. The planning and execution of motor skills studies also demonstrated the plastic and learning behavior of brain wherein correlation was found between the relative change in total hemoglobin in the frontal cortex and the kinematics of the activity performed by the participants. Thus, during my dissertation the NIRS neuroimaging technique was successfully implemented to investigate the neurological response of language, joint attention and planning and execution of motor skills in healthy adults as well as preliminarily on children with autism and individuals with cerebral palsy. These NIRS studies have long-term potential for the design of early stage interventions in children with autism and customized rehabilitation in individuals with cerebral palsy.

Mid-infrared spectroscopy of lensed galaxies at 1 < z < 3: The nature of sources near the MIPS confusion limit

We present Spitzer IRS mid-infrared spectra for 15 gravitationally lensed, 24 μm-selected galaxies, and combine the results with four additional very faint galaxies with IRS spectra in the literature. The median intrinsic 24 μm flux density of the sample is 130 μJy, enabling a systematic survey of the spectral properties of the very faint 24 μm sources that dominate the number counts of Spitzer cosmological surveys. Six of the 19 galaxy spectra (32%) show the strong mid-IR continuua expected of AGNs; X-ray detections confirm the presence of AGNs in three of these cases, and reveal AGNs in two other galaxies. These results suggest that nuclear accretion may contribute more flux to faint 24 μm-selected samples than previously assumed. Almost all the spectra show some aromatic (PAH) emission features; the measured aromatic flux ratios do not show evolution from z = 0. In particular, the high signal-to-noise mid-IR spectrum of SMM J163554.2+661225 agrees remarkably well with low-redshift, lower luminosity templates. We compare the rest-frame 8 μm and total infrared luminosities of star-forming galaxies, and find that the behavior of this ratio with total IR luminosity has evolved modestly from z = 2 to z = 0. Since the high aromatic-to-continuum flux ratios in these galaxies rule out a dominant contribution by AGNs, this finding implies systematic evolution in the structure and/or metallicity of infrared sources with redshift. It also has implications for the estimates of star-forming rates inferred from 24 μm measurements, in the sense that at z ~ 2, a given observed frame 24 μm luminosity corresponds to a lower bolometric luminosity than would be inferred from low-redshift templates of similar luminosity at the corresponding rest wavelength.

In-situ infrared spectroscopy as a non-invasive technique to study carbon sequestration at high pressure and high temperature

We would like to thank EPSRC for a Doctoral Training Grant (G.A.M) and the Erasmus programme for supporting the study visit to Turin (R.W). We would also like to thank Dr. Federico Cesano for SEM/EDX measurements and for fruitful discussion. Dr. Jo Duncan is thanked for his tremendous insight during XRD interpretation.

Effect of dental tissue conditioners and matrix metalloproteinase inhibitors on type I collagen microstructure analyzed by Fourier transform infrared spectroscopy

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)