Quantifying Dense Multicomponent Slurries with In-Line ATR-FTIR and Raman Spectroscopies: A Hanford Case Study
Ontology highlight
ABSTRACT:
SUBMITTER:
PROVIDER: S-EPMC10557100 | biostudies-literature | 2023 Sep
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:Pollen studies are important for the assessment of present and past environment, including biodiversity, sexual reproduction of plants and plant-pollinator interactions, monitoring of aeroallergens, and impact of climate and pollution on wild communities and cultivated crops. Although information on chemical composition of pollen is of importance in all of those research areas, pollen chemistry has been rarely measured due to complex and time-consuming analyses. Vibrational spectroscopies, coupled with multivariate data analysis, have shown great potential for rapid chemical characterization, identification and classification of pollen. This study, comprising 219 species from all principal taxa of seed plants, has demonstrated that high-quality Raman spectra of pollen can be obtained by Fourier transform (FT) Raman spectroscopy. In combination with Fourier transform infrared spectroscopy (FTIR), FT-Raman spectroscopy is obtaining comprehensive information on pollen chemistry. Presence of all the main biochemical constituents of pollen, such as proteins, lipids, carbohydrates, carotenoids and sporopollenins, have been identified and detected in the spectra, and the study shows approaches to measure relative and absolute content of these constituents. The results show that FT-Raman spectroscopy has clear advantage over standard dispersive Raman measurements, in particular for measurement of pollen samples with high pigment content. FT-Raman spectra are strongly biased toward chemical composition of pollen wall constituents, namely sporopollenins and pigments. This makes Raman spectra complementary to FTIR spectra, which over-represent chemical constituents of the grain interior, such as lipids and carbohydrates. The results show a large variability in pollen chemistry for families, genera and even congeneric species, revealing wide range of reproductive strategies, from storage of nutrients to variation in carotenoids and phenylpropanoids. The information on pollen's chemical patterns for major plant taxa should be of outstanding value for various studies in plant biology and ecology, including aerobiology, palaeoecology, forensics, community ecology, plant-pollinator interactions, and climate effects on plants.
| S-EPMC7136416 | biostudies-literature
Project description:Granulometric fractionation as a source of additional information on organic-matter and inorganic matrix components of soils using FTIR-photoacoustic spectroscopy (FTIR-PAS) supported by attenuated-total reflection FTIR spectroscopy (ATR-FTIR) for a wide range of aggregate fractions (10-5000 μm) was used to compare the sensitivity, reproducibility, information contents, and representativity of fractionated samples. For chernozem and sod-podzolic soils and different agricultural-use chernozem samples, differences in the composition were found, manifested in normalized spectra of microaggregate fractions, with the range of 10-100 μm bearing the complete information. Most changes are observed in the soil organic matter range (1900-1340 cm-1), although these changes are slight, and in the soil-matrix region (550-300 cm-1). The latter region increases the intensity of bands corresponding to amorphous silica and clay minerals in fine fractions, while the intensity of bands attributed to quartz lattice vibrations decreases. FTIR-PAS spectra do not differ considerably at high interferometer modulation frequencies as the signal-penetration depth is comparable with particle sizes. The soil fractions below 20 μm result in the maximum sensitivity, reproducibility, and signal-to-noise ratio, showing no changes from coarser fractions by the information content and, thus, providing representative samples for analysis. The fractionation shows more differences in the sod-podzolic and chernozem soil fractions than the whole soil spectra. FTIR-PAS provides better sensitivity and reproducibility in the 4000-2000 cm-1 region and ATR-FTIR in the 2000-100 cm-1 region.
| S-EPMC8771961 | biostudies-literature
Project description:In the field of non-oxide ceramics, the polymer-derived ceramic (PDC) approach appears to be very promising, especially for obtaining easily shaped and homogeneous materials in terms of structure and composition. However, in order to reach a suitable form during the process, it is often necessary to study the rheology of preceramic polymers while they are modified during polymerisation or crosslinking reactions. Given this need in the understanding of the real-time rheology of macromolecules during their synthesis, a rheometer coupled with both an infrared spectrometer and a Raman probe is described as a powerful tool for monitoring in situ synthesised polycarbosilanes. Indeed, this original device allows one to control the viscosity of a hyberbranched polycarbosilane from defined difunctional and tetrafunctional monomers. Meanwhile, it links this evolution to structural modifications in the macromolecular structure (molar masses, dispersity and conformation), based on SEC-MALS analyses, synchronised by the monomer conversion determined by using Raman and infrared spectroscopies, a common denominator of the aforementioned instrumental platform.
| S-EPMC10538020 | biostudies-literature
Project description:This data in brief article summarizes structural data obtained from monocomponent melt-spun and offline drawn poly(ethylene terephthalate) (PET) monofilaments, as well as from melt-spun bicomponent core-sheath PET-polyamide 6 (PA6) filaments. The diameters of the single filaments range from 27 µm to 79 µm. Presented analysis techniques and results thereof are (i) Raman mapping of filament cross-sections: 2D maps of peak positions, widths, peak area ratios; (ii) attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR): ATR-FTIR spectra and extraction of surface crystallinity; (iii) wide-angle x-ray diffraction (WAXD): WAXD patterns and extraction of average crystallinity; (iv) small-angle x-ray scattering (SAXS): SAXS patterns and determined crystallite sizes and long-spacings; (v) differential scanning calorimetry (DSC): thermograms and extracted average crystallinity as well as thermal properties; (vi) atomic force microscopy (AFM): AFM image of the surface of an embedded fiber cross-section. For more information, see the publication by E. Perret et al. 'High-resolution 2D Raman mapping of mono- and bicomponent filament cross-sections' [1].
| S-EPMC8488250 | biostudies-literature
Project description:In this study, the novel application of ATR-FTIR spectroscopy and macro ATR-FTIR spectroscopic imaging overcame an analytical challenge in conservation science: the time-resolved, chemical, and spatial investigation of the reaction of inorganic treatments for stone conservation (ammonium oxalate, AmOx; ammonium phosphate, DAP) occurring in water-based solutions. The aim was to (1) assess the composition and localization of reaction products and their phase variation during the reaction in real time and directly in an aqueous environment and (2) investigate the reaction of AmOx and DAP with calcite and the transformations induced to the substrate with a time-resolved approach. The new analytical results showed that for both treatments, the formation of new crystalline phases initiated at the early stages of the reaction. Their composition changed during the treatment and led to more stable phases. The reactivity of the stone substrate to the treatments varied as a function of the stone material features, such as the specific surface area. A clear influence of post-treatment rinsing on the final composition of reaction phases was observed. Above all, our research demonstrates the actual feasibility, practicality, and high potential of an advanced ATR-FTIR spectroscopic approach to investigate the behavior of conservation treatments and provided new analytical tools to address the choices of conservation in pilot worksites. Lastly, this study opens novel analytical perspectives based on the new possible applications of ATR-FTIR spectroscopic imaging in the field of conservation science, materials science, and analytical chemistry.
| S-EPMC9295121 | biostudies-literature
Project description:Cancer is a leading cause of mortality today. Sooner a cancer is detected, the more effective is the treatment. Histopathological diagnosis continues to be the gold standard worldwide for cancer diagnosis, but the methods used are invasive, time-consuming, insensitive, and still rely to some degree on the subjective judgment of pathologists. Recent research demonstrated that Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) spectroscopy can be used to determine the metastatic potential of cancer cells by evaluating their membrane hydration. In the current study, we demonstrate that the conversion of ATR-FTIR spectra using multifractal transformation generates a unique number for each cell line's metastatic potential. Applying this technique to murine and human cancer cells revealed a correlation between the metastatic capacity of cancer cells within the same lineage and higher multifractal value. The multifractal spectrum value was found to be independent of the cell concentration used in the assay and unique to the tested lineage. Healthy cells exhibited a smaller multifractal spectrum value than cancer cells. Further, the technique demonstrated the ability to detect cancer progression by being sensitive to the proportional change between healthy and cancerous cells in the sample. This enables precise determination of cancer metastasis and disease progression independent of cell concentration by comparing the measured spectroscopy derived multifractal spectrum value. This quick and simple technique devoid of observer bias can transform cancer diagnosis to a great extent improving public health prognosis worldwide.
| S-EPMC10622493 | biostudies-literature
Project description:Naturally weathered polypropylene (NWPP) samples are useful for investigating the effects of various degradation factors that cannot be obtained in artificial laboratory experiments. In this study, NWPP samples were extracted from beach sediments (Ashiya, Hyogo, Japan). Raman and attenuated total reflection (ATR)-Fourier-transform infrared (FTIR) spectroscopies were used to analyze variations in the composition, crystallinity, orientation, and degradation of NWPP microplastics. The degree of degradation varies from sample to sample, from position to position in a sample, and the inside surface or outside surface of a sample. Significant intensity variations were observed for Raman bands at 1150 and 842 cm⁻¹, indicating changes in the crystallinity and molecular orientation of NWPP due to degradation. The Raman spectra of the elongated pristine PP showed intensity increases at 1150, 998, and 842 cm-1, indicating variations in the molecular orientation of the polymer chains induced by elongation. The ATR-FTIR spectra of NWPP yield several major new features in the 3600 -3200 cm-1 (OH stretching), 1750-1500 cm-1 (C=O/C=C/COO- stretching), and 1150-900 cm-1 (C-O/C-C stretching) regions. Of particular note is that in the 1750-1500 cm-1 region, at least four bands due to two kinds of vinyl groups and two kinds of carboxylate groups are clearly observed in the second derivative spectra, while bands arising from carbonyl compounds are weak. This may be the first time that the carboxylate bands have ever appeared more strongly than the carbonyl bands in the IR spectra of NWPP. The appearance of the carboxylate bands indicates two possibilities: one is the effect of seawater on the degradation of NWPP samples, and another is the oxidation of keto groups to the carboxylates. Moreover, since a few kinds of vinyl compounds and carboxylates are produced, it is very likely that the degree of degradation is high in the NWPP samples. In this way, IR spectroscopy is useful for exploring the degradation of NWPP while Raman spectroscopy is effective for examining variations in their crystallinity and orientation.
| S-EPMC11747500 | biostudies-literature
Project description:Quality control of drug products is of paramount importance in the pharmaceutical world. It ensures product safety, efficiency, and consistency. In the case of complex biomolecules such as therapeutic proteins, small variations in bioprocess parameters can induce substantial variations in terms of structure, impacting the drug product quality. Conditions for obtaining highly reproducible grafting of 11-mercaptoundecanoic acid were determined. On that basis, we developed an easy-to-use, cost effective, and timesaving biosensor based on ATR-FTIR spectroscopy able to detect immunoglobulins during their production. A germanium crystal, used as an internal reflection element (IRE) for FTIR spectroscopy, was covalently coated with immunoglobulin-binding proteins. This thereby functionalized surface could bind only immunoglobulins present in complex media such as culture media or biopharmaceutical products. The potential subsequent analysis of their structure by ATR-FTIR spectroscopy makes this biosensor a powerful tool to monitor the production of biotherapeutics and assess important critical quality attributes (CQAs) such as high-order structure and aggregation level.
| S-EPMC9570191 | biostudies-literature
Project description:Versatile methods for the quantification of intracellular cholesterol are essential for understanding cellular physiology and for diagnosing disorders linked to cholesterol metabolism. Here we used Raman spectroscopy (RS) and surface-enhanced Raman spectroscopy (SERS) to measure changes in cholesterol after incubating human fibroblasts with increasing concentrations of cholesterol-methyl-β-cyclodextrin. RS and SERS were sensitive and accurate enough to detect high levels of cholesterol in fibroblasts from patients affected by type C Niemann-Pick disease (NPC), a lysosomal storage disorder characterized by the primary accumulation of cholesterol. Moreover, SERS was able to distinguish between fibroblasts from different NPC patients, demonstrating higher accuracy than RS and standard fluorescent labeling of cholesterol with filipin III. We show that the type of gold nanoparticles used as signal enhancer surfaces in our SERS measurements are internalized by the cells and are eventually found in lysosomes, the main site of accumulation of cholesterol in NPC fibroblasts. The higher sensitivity of SERS can thus be attributed to the specific trafficking of our gold nanoparticles into these organelles. Our results indicate that RS and SERS can be used as sensitive and accurate methods for the evaluation of intracellular cholesterol content, allowing for the potential development of an optical detection tool for the ex-vivo screening and monitoring of those diseases characterized by abnormal modification in cholesterol levels.
| S-EPMC11574121 | biostudies-literature
Project description:The major structural components of protective mucus hydrogels on mucosal surfaces are the secreted polymeric gel-forming mucins. The very high molecular weight and extensive O-glycosylation of gel-forming mucins, which are key to their viscoelastic properties, create problems when studying mucins using conventional biochemical/structural techniques. Thus, key structural information, such as the secondary structure of the various mucin subdomains, and glycosylation patterns along individual molecules, remains to be elucidated. Here, we utilized Raman spectroscopy, Raman optical activity (ROA), circular dichroism (CD), and tip-enhanced Raman spectroscopy (TERS) to study the structure of the secreted polymeric gel-forming mucin MUC5B. ROA indicated that the protein backbone of MUC5B is dominated by unordered conformation, which was found to originate from the heavily glycosylated central mucin domain by isolation of MUC5B O-glycan-rich regions. In sharp contrast, recombinant proteins of the N-terminal region of MUC5B (D1-D2-D'-D3 domains, NT5B), C-terminal region of MUC5B (D4-B-C-CK domains, CT5B) and the Cys-domain (within the central mucin domain of MUC5B) were found to be dominated by the β-sheet. Using these findings, we employed TERS, which combines the chemical specificity of Raman spectroscopy with the spatial resolution of atomic force microscopy to study the secondary structure along 90 nm of an individual MUC5B molecule. Interestingly, the molecule was found to contain a large amount of α-helix/unordered structures and many signatures of glycosylation, pointing to a highly O-glycosylated region on the mucin.
| S-EPMC5218386 | biostudies-literature