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Uranium Hexafluoride Hydrolysis Reaction Dynamics from Cryogenic Layering, FTIR Spectroscopy, and Isotopic Substitution
The first direct evidence that the hydrolysis reaction of uranium hexafluoride (UF 6 ) follows multiple competing pathways which are driven by the ratio of water to UF 6 , temperature, and isotopic composition is presented. Using temperature dependent infrared spectroscopy, it is shown the hydrolysis can be prevented at temperatures below 150 K, and that water-rich environments promote the formation of uranium oxyfluoride intermediates. Spectral shifts reveal isomeric transitions and the growth of polymeric species, with reaction reversibility observed at high water concentrations. Additionally, controlled heating rates affect the emergence of intermediates. The final particulate product consistently forms as uranyl fluoride hydrate, though its morphology and spectral signature vary with reaction conditions and annealing. These findings help clarify long-standing uncertainties surrounding UF 6 hydrolysis.
FTIR imaging identifies alterations in lung tissue structure and biochemical composition in human idiopathic pulmonary fibrosis
Idiopathic Pulmonary Fibrosis (IPF) is a chronic, progressive, and fatal lung disease characterized by damage to the epithelial tissue and a reduced ability of the alveoli to repair themselves. This impaired repair process leads to abnormal accumulation of extracellular matrix (ECM), resulting in scarring and stiffening of lung tissue. Fourier transform infrared imaging (FTIRI) is a promising technique for imaging the biochemical changes related to fibrotic changes in a label-free and non-destructive manner, which can be analyzed to mark the progression of IPF. In this study, FTIRI was used to image human lung tissue biopsies with IPF and control biopsies without disease. In-depth spectral analyses were performed to observe the biochemical changes in the tissue composition using FTIRI. The parameters that were analyzed included collagen structure, total lipid content, lipid chain length, and phospholipids. Results showed a significant increase in lipid content in IPF compared to control, where long chain lipids dominated and phospholipids were reduced. Minor changes in collagen structure were also observed in IPF, likely attributed to the excess formation of extracellular matrix in the disease. These findings indicate that FTIRI has the potential to be a promising diagnostic technique to understand the molecular changes during IPF, as analysis of infrared data can reveal detailed biochemical information regarding disease progression and provide spatial insights on the molecular changes across the IPF lung tissue.
Initial Testing of the D&P 102 FTIR Portable Long-wave Spectrometer
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FTIR analysis of aviation fuel deposits
Five modes of operation of the Nicolet 7199 Fourier Transform Infrared Spectrophotometer have been evaluated for application in analysis of the chemical structure of accelerated storage/thermal deposits produced by jet fuels. Using primarily the absorption and emission modes, the effects of fuel type, stress temperature, stress time, type of spiking agent, spiking agent concentration, fuel flow, and post-depositional treatment on the chemical nature of fuel deposits have been determined.
Resin characterization in cured graphite fiber reinforced composites using diffuse reflectance-FTIR
The feasibility of using diffuse reflectance in combination with Fourier transform infrared spectroscopy to obtain information on cured graphite fiber reinforced polymeric matrix resin composites was investigated. Several graphite/epoxy, polysulfone, and polyimide composites exposed to thermal or radiation environments were examined. An experimental polyimide-sulfone adhesive tape was also studied during processing. In each case, significant changes in resin molecular structure was observed due to environmental exposure. These changes in molecular structure were correlated with previously observed changes in material properties providing new insights into material behavior.
Matrix Resin Characterization in Cured Graphite Composites Using Diffuse Reflectance-Ftir
The chemical characterization of cured graphite fiber reinforced polymer matrix composites is complicated by the fact that the resins are insoluble and the composites are apaque. Standard analyses which depend either on the ability to dissolve the sample or to detect transmitted radiation are impossible. As a result, data reported on environmentally exposed composites primarily concern macroscopic information such as weight loss or changes in selected mechanical properties. Diffuse reflectance in combination with fourier transform infrared spectroscopy was developed to gain a basic chemical understanding of composite and adhesive behavior. Several composite and adhesive materials were characterized before and after environmental exposure. In each case significant changes in resin molecular structure were observed and correlated with changes in mechanical properties, providing new insights into material performance.
Emission FTIR analyses of thin microscopic patches of jet fuel residues deposited on heated metal surfaces
The relationship of fuel stability to fuel composition and the development of mechanisms for deposit formation were investigated. Fuel deposits reduce heat transfer efficiency and increase resistance to fuel flow and are highly detrimental to aircraft performance. Infrared emission Fourier transform spectroscopy was chosen as the primary method of analysis because it was sensitive enough to be used in-situ on tiny patches of monolayers or of only a few molecular layers of deposits which generally proved completely insoluble in any nondestructive solvents. Deposits of four base fuels were compared; dodecane, a dodecane/tetralin blend, commercial Jet A fuel, and a broadened-properties jet fuel particularly rich in polynuclear aromatics. Every fuel in turn was provided with and without small additions of such additives as thiophene, furan, pyrrole, and copper and iron naphthenates.
Observation of atmospheric minor constituents by FTIR at Syowa Station, Antarctica
As a part of the Antarctic MAP activity, a ground-based spectroscopic observation of atmospheric infrared transmission was started at Syowa station (69 deg 00'S, 39 deg 35'E) in March 24, 1983. Observations of sunlight as a radiation source were made with a Fourier transform infrared spectrometer having a maximum path difference of 80 mm and an apodized FWHM resolution of approx. 0.12/cm. In routine operation through the year, the resolution of approx. 0.8/cm was applied for economy of data-processing time. The 408 spectra for 72 days were obtained in about 10 months until January 23, 1984. From the absorption features revealed in the spectra over the wave number range of 500 to 7500/cm, a preliminary estimate of N202 gamma sub 1 band absorption was attempted. An apparent transmittance was defined at the wave number 2576/cm, where the absorption by N20 molecules affected the observed intensity strongly. A ray-tracing technique and a line-by-line calculation with a model atmosphere and the AFGL atmospheric absorption line parameters compilation were applied to the calculation of the synthetic spectra.
FTIR studies of fuel storage and thermal deposits
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FTIR characterization of thermally cycled PMR-15 composites
Chemical characterization results are presented for a variety of PMR-15/graphite composites, differentiated according to prepreg types and cure cycles, which were subjected to 1000 thermal cycles between 0 and 450 F. Fourier transform IR spectroscopy was used in conjunction with diffuse reflectance sampling to examine whether changes in the matrix resin chemistry due to environmental exposure may have contributed to microcracking. Analysis based on compound spectra revealed behavior associated with the oxidation of methylene groups to carbonyl groups on the composite surface; evidence of crosslinking also emerged, although the two phenomena do not appear to be related.
An FTIR spectrometer for remote measurements of atmospheric composition
The JPL IV interferometer, and infrared Michelson interferometer, was built specifically for recording high resolution solar absorption spectra from remote ground-based sites, aircraft and from stratospheric balloons. The instrument is double-passed, with one fixed and one moving corner reflector, allowing up to 200-cm of optical path difference (corresponding to an unapodised spectral resolution of 0.003/cm). The carriage which holds the moving reflector is driven by a flexible nut riding on a lead screw. This arrangement, together with the double-passed optical scheme, makes the instrument resistant to the effects of mechanical distortion and shock. The spectral range of the instrument is covered by two liquid nitrogen-cooled detectors: an InSb photodiode is used for the shorter wavelengths (1.85 to 5.5 microns, 1,800 to 5,500/cm) and a HgCdTe photoconductor for the range (5.5 to 15 microns, 650 to 1,800/cm). For a single spectrum of 0.01/cm resolution, which requires a scan time of 105 seconds, the signal/noise ratio is typically 800:1 over the entire wavelength range.
High resolution FTIR spectroscopy of the ClO radical
The chlorine monoxide radical, ClO, plays a significant role in the catalytic destruction of ozone in the Earth's stratosphere. Because of its atmospheric importance, ClO has been the subject of numerous observational attempts. In order to deduce ClO concentrations from stratospheric infrared measurements, the infrared spectroscopy of ClO must be well characterized. Approximately 830 individual lines were measured form ClO imfrared spectra with the ClO concentration between 1 x 10 to the 13th power and 6 x 10 to the 13th power molecules per cu cu. The lines were then averaged and fit to a function of m (where m = O, -J or J+1 for the Q,P and R branches respectively) to obtain the band strength, S sub v and the first Herman-Wallis coefficient, alpha. The total S sub v for the two main isotopmers was 13.11 plus or minus 1 cm(-2) atm(-1) while alpha was 0.00412 plus or minus .00062.
Characterization of the surfaces of platinum/tin oxide based catalysts by Fourier transform spectroscopy (FTIR)
The Laser Atmospheric Wind Sounder (LAWS) Program has as one of its goals the development of a satellite based carbon dioxide laser for making wind velocity measurements. The specifications for this laser include the requirement that the laser operate at a repetition rate of 10 Hertz continuously for three years. Earth-based carbon dioxide lasers can operate for only a short time on a single charge of gas because the lasing action causes the CO2 to break down into CO and O2. Therefore, earth-based CO2 lasers are generally operated in a flow through mode in which the spent gas is continually exhausted and fresh gas is continually added. For a satellite based system, however, a recirculation system is desired because it is not practical to send up extra tanks of CO2. A catalyst which could enable a recirculating CO2 laser to function continuously for three years needs to be developed. In the development of a catalyst system there are many variables. Obviously, not all possible formulations can be tested for three years, therefore, an accurate model which is based on the reaction mechanism is needed. The construction of a multistep reaction mechanism is similar to the construction of a jigsaw puzzle. Different techniques each supply a piece of the puzzle and the researcher must put the pieces together. Transmission infrared spectroscopy was shown to be very useful in supplying some of the information needed to elucidate reaction mechanisms. The purpose was to see what kind of information might be obtained about the NASA catalyst using infrared absorption spectroscopy. Approximately 200 infrared spectra of the prototype Pt/tin oxide catalyst and its precursor components are observed under a variety of different conditions. The most significant observations are summarized.
Machine learning enables reconstruction of past fire regimes from charcoal-derived fire intensity and fuel composition
Background Fire is a foundational ecological process that shapes ecosystem structure, diversity, and resilience. Quantifying paleofire regime attributes such as frequency, severity, and intensity is essential for understanding the historical range of variability in fire behavior and its ecological effects. While frequency and severity are often reconstructed in paleofire studies, quantitative reconstructions of fire intensity remain limited. Recent work has shown that maximum pyrolysis temperature—a proxy for fire intensity—and plant species type can be inferred from charcoal using transmission Fourier-transform infrared (FTIR) spectroscopy. However, the sample preparation for transmission FTIR is destructive and time-consuming, limiting application and reuse of materials for other analyses. We evaluated reflectance FTIR spectroscopy as a non-destructive alternative for reconstructing combustion temperature and plant species from laboratory-generated charcoal. We also examined the influence of contrasting airflow environments (ambient air versus nitrogen-rich) on pyrolysis temperature and plant species reconstruction prediction accuracies and compared predictive performance between a novel, neural network–based deep learning model with the traditional modern analogue technique (MAT) using k-nearest neighbor functions. As proof of concept, we apply our enhanced methodology to ancient charcoal to demonstrate applicability at improving long-term fire regime reconstructions and the ability to link paleofire records with contemporary fire ecology. Results Our analysis shows that transmission and reflectance FTIR spectra yield comparable spectral profiles. However, sample preparation for reflectance FTIR is minimal and non-destructive, unlike transmission FTIR which is destructive. We demonstrate that oxygen environments improved reconstruction accuracy relative to nitrogen-rich conditions. Finally, our deep learning neural network (DL) achieved testing accuracies of 98.7% for temperature and 96.2% for species identification, outperforming MAT’s k-NN approach (89.8% and 65.9%, respectively). A Shapley importance analysis identified 5 key spectral regions that greatly influenced the model’s temperature or species categorization. When applied to ancient charcoal, our results show historic fires from the most recent past primarily burned at low intensities (400–500 °C), reflective of natural fire regimes in ponderosa pine forests. Our results corroborate charcoal morphology data that suggests all ancient charcoal originated from burned woody plant types. Conclusions By combining reflectance FTIR spectroscopy with a deep learning approach, we provide the first accuracies high enough to confidently identify both species and temperature from laboratory-produced charcoal, improving quantitative reconstructions of fire intensity and fuel composition from paleofire records. This opens a wide range of research into the link between fire and larger drivers (i.e., climate or human) and greater ecological understanding of fire regimes beyond that of burn scars or recent observations. These methodological improvements have direct relevance for fire management by improving interpretation of historical fire behavior, informing fuel–fire relationships, and providing a scalable analytical framework applicable to both long-term ecological studies and contemporary fire science.
Structural Conservation of the A 1 Binding Site in Photosystem I across Cyanobacteria and Green Algae
Time-resolved step-scan Fourier transform infrared (FTIR) difference spectroscopy was used to obtain (A 1 − − A 1 ) FTIR difference spectra from photosystem I (PSI) samples isolated from eight phylogenetically diverse cyanobacterial strains and one green alga, totaling 13 PSI preparations. These included samples from cells grown under farred light and PSI in monomeric, dimeric, trimeric, and tetrameric states. Spectral profiles were shown to be independent of oligomeric state. Remarkably, all (A 1 − − A 1 ) FTIR difference spectra exhibited high similarity, underscoring the robustness of the technique and indicating minimal experimental variability. This congruence reveals a highly conserved environment for the phylloquinone cofactor at the A 1 binding site across diverse taxa. Conserved bands associated with the A 0 pigment further suggest structural continuity from A 0 to A 1 . To leverage this consistency, we constructed a composite (A 1 − − A 1 ) FTIR difference spectrum by averaging all 13 spectra. This composite spectrum provides enhanced resolution, enabling unambiguous identification of previously unresolved bands. The fact that a highly resolved composite spectrum can be obtained by averaging demonstrates the similarity in the spectra from the different types of samples. Band assignments were refined using prior studies, yielding an improved spectral framework for future investigations of PSI electron transfer cofactors.
Foundational insights into the mechanical and molecular evolution of porcine skin gelatin during gelation
Gelatin is a widely used material in biomedical fields, particularly in regenerative medicine and tissue engineering, due to its biocompatibility and versatile properties. While prior research has explored methods to enhance gelatin's mechanical strength and stability, fundamental studies on gelatin, specifically its curing process, mechanical stiffness, and chemical evolution during gelation, remain limited. This study uses ultrasonic testing and Fourier Transform Infrared Spectroscopy (FTIR) to examine gelatin's stiffness and molecular changes during gelation. Samples of 175 and 300 Porcine Skin Bloom Strength Gelatin at concentrations of 2% and 6% (w/v) were analyzed. Through transmission ultrasonic testing helped identify key transition points in gelation, with higher concentrations exhibiting delayed transitions. FTIR revealed that C-N bond formation peaks early while N-H bond deformation persists. A correlation emerged between sound speed and peak absorbance, suggesting that changes in molecular mobility may contribute to the observed sound speed behavior during periods of active bond formation. However, as gelation continues, fewer bonding components may be available, potentially decreasing molecular movement and contributing to the observed increase in sound speed. These findings provide insights into gelatin's mechanical and chemical evolution, offering a framework for improved control over its gelation kinetics. Swept-Frequency Acoustic Interferometry (SFAI) was performed at the end of the curing process to measure the sound speed, enabling the calculation of the bulk moduli of the gelatin samples. The combined use of ultrasonic and FTIR testing provides a non-destructive method for characterizing gelatin and other biomaterials. This approach advances understanding of gelatin curing behavior and supports the development of safer biomaterials with tailored mechanical properties for various applications such as tissue engineering and regenerative medicine.
Influence of Air and Ethanol Dehydration on Structure, Behavior, and Function of Type I Collagen Scaffolds
Ethanol dehydration is a common step in both scaffold manufacturing and tissue processing, yet the influence of ethanol on collagen is not well understood. This study examined the effects of dehydration, via ethanol treatment and air drying, on collagen structure, behavior, mechanics, and rehydration capacity. Multiple material characterization methods were used including Fourier Transform infrared spectroscopy (FTIR), Raman spectroscopy, scanning electron microscopy, thermogravimetric analysis, small/medium angle x‐ray scattering, volumetric swelling analysis, and tensile testing. Ethanol dehydration removed bulk water from scaffolds, making them stronger and stiffer, but also showed loss of molecular water. This molecular water appears to act as a collagen stabilizer, resulting in less thermally stable scaffolds. The loss of molecular water is also evident in the molecular d‐spacing. Secondary structure of scaffolds was also altered by ethanol, resulting in significantly enhanced rehydration capacity. Bulk water, both before and after rehydration, largely determined mechanical properties, which did not correlate with other structural measures such as FTIR. While rehydration largely returned collagen spacing to pre‐ethanol treated state, structural alterations seen in FTIR cannot be recovered. These results have implications for not only collagen scaffolds, but in many tissue engineering and processing applications.