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2125. Staphylococcus Species Identification by Fourier Transform Infrared (FTIR) Spectroscopic Techniques: A Cross-Lab Study
摘要： Staphylococcus aureus is well known to be associated with atopic dermatitis. Recent studies also report S. aureus presence in lesional skin of squamous cell carcinoma (SCC) and its precursor lesion, actinic keratosis (AK). Therefore, it is of potential clinical interest to monitor skin S. aureus colonization on AK lesions. Fourier transform infrared (FTIR) spectroscopy is a cost-effective, nondestructive, and reagent-free technique for rapid microbial identification. It is based on the use of spectral databases developed with well-characterized strains in conjunction with the application of multivariate statistical analysis to elaborate classification models. In the present cross-lab study, spectral databases containing FTIR spectra of over 1000 staphylococcal isolates obtained from reference and clinical microbiology laboratories across Canada were employed in the FTIR spectroscopic identification of Staphylococcus spp. isolated from AK, SCC and perilesional skin of patients at the Princess Alexandra Hospital Dermatology Clinic in Brisbane, Australia.
关键词： atopic dermatitis,actinic keratosis,squamous cell carcinoma,microbial identification,Staphylococcus aureus,Fourier transform infrared spectroscopy
更新于2025-09-16 10:30:52
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[IEEE 2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz) - Paris, France (2019.9.1-2019.9.6)] 2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz) - Spectroscopic characterization at THz frequencies of glucose-based biomaterials: paramylon, paramylon-ester and cellulose
摘要： The terahertz (THz) spectroscopy of paramylon (β-1,3-glucan) and paramylon-ester extracted from microalgae called as Euglena have been studied by Fourier Transform Infrared Spectrometer (FT-IR) in a frequency range from 0.3 to 9 THz. The absorption spectra of paramylon were analyzed by comparing them with cellulose that has a similar long-chain -(C6H10O5)n-structure with paramylon. The differences in absorption features between paramylon and cellulose may be caused by their different chain structures. The broad absorption spectra of paramylon-ester can be attributed to some sort of disorder of long-chain molecular vibration modes due to the substitution of propionyl chloride and long-chain acid chloride by esterification.
关键词： microalgae,Euglena,paramylon-ester,paramylon,cellulose,terahertz spectroscopy,Fourier Transform Infrared Spectrometer
更新于2025-09-11 14:15:04
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Investigation of Biochemical Alterations in Ischemic Stroke Using Fourier Transform Infrared Imaging Spectroscopy—A Preliminary Study
摘要： Objective: Brain damage, long-term disability and death are the dreadful consequences of ischemic stroke. It causes imbalance in the biochemical constituents that distorts the brain dynamics. Understanding the sub-cellular alterations associated with the stroke will contribute to deeper molecular understanding of brain plasticity and recovery. Current routine approaches examining lipid and protein biochemical changes post stoke can be difficult. Fourier Transform Infrared (FTIR) imaging spectroscopy can play a vital role in detecting these molecular alterations on a sub-cellular level due to its high spatial resolution, accuracy and sensitivity. This study investigates the biochemical and molecular changes in peri-infract zone (PIZ) (contiguous area not completely damaged by stroke) and ipsi-lesional white matter (WM) (right below the stroke and PIZ regions) nine weeks post photothrombotic ischemic stroke in rats. Materials and Methods: FTIR imaging spectroscopy and transmission electron microscopy (TEM) techniques were applied to investigate brain tissue samples while hematoxylin and eosin (H&E) stained images of adjacent sections were prepared for comparison and examination the morphological changes post stroke. Results: TEM results revealed shearing of myelin sheaths and loss of cell membrane, structure and integrity after ischemic stroke. FTIR results showed that ipsi-lesional PIZ and WM experienced reduction in total protein and total lipid content compared to contra-lesional hemisphere. The lipid/protein ratio reduced in PIZ and adjacent WM indicated lipid peroxidation, which results in lipid chain fragmentation and an increase in olefinic content. Protein structural change is observed in PIZ due to the shift from random coil and α-helical structures to β-sheet conformation. Conclusion: FTIR imaging bio-spectroscopy provide novel biochemical information at sub-cellular levels that be difficult to be obtained by routine approaches. The results suggest that successful therapeutic strategy that is based on administration of anti-oxidant therapy, which could reduce and prevent neurotoxicity by scavenging the lipid peroxidation products. This approach will mitigate tissue damage in chronic ischemic period. FTIR imaging bio-spectroscopy can be used as a powerful tool and offer new approach in stroke and neurodegenerative diseases research.
关键词： photothrombotic stroke,Fourier transform infrared (FTIR) imaging spectroscopy,transmission electron microscope (TEM),brain ischemia
更新于2025-09-11 14:15:04
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Growth, vibrational, optical, thermal, magnetic and dielectric behavior of organo-metallic tetramethylammonium cadmium chloride crystal
摘要： Single crystals of tetramethylammonium cadmium chloride were grown by slow evaporation technique. The single-crystal X-ray diffraction revealed that the crystal belongs to hexagonal crystal system with P63/m space group. The crystalline nature of the grown crystal was measured by power X-ray diffraction. The presence of functional groups was identi?ed using Fourier transform infrared and Fourier transform Raman studies. The optical absorption studies showed that the grown crystal transmit most of the incident radiation in the range of 200–800 nm. The diamagnetic property of the grown crystal has been analyzed by vibrating sample magnetometer. The mechanical stability of crystal is analyzed by Vickers microhardness study. Dielectric measurements were taken to analyze the dielectric constant and dielectric loss at different frequencies and temperatures. The thermal stability of grown crystals was con?rmed by thermogravimetry/differential thermal analysis. Thermal stability of the compound was entered up to 208 (cid:3)C.
关键词： Fourier transform infrared,Thermogravimetry/differential thermal analysis,Organo-metallic crystal,Fourier transform Raman,Vibrating sample magnetometer,Dielectric constant
更新于2025-09-10 09:29:36
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First vibrational investigations of N <sub/>2</sub> O–H <sub/>2</sub> O, N <sub/>2</sub> O–(H <sub/>2</sub> O) <sub/>2</sub> , and (N <sub/>2</sub> O) <sub/>2</sub> –H <sub/>2</sub> O complexes from the far to the near-infrared spectral region by neon matrix isolation and <i>ab initio</i> calculations
摘要： We present for the first time the investigation of water molecules complexed with dinitrogen monoxide, two abundant molecules in atmosphere, in solid neon using Fourier transform infrared (IR) spectroscopy. We identify at least three complexes from concentration effects, N2O–H2O, N2O–(H2O)2, and (N2O)2–H2O, by observation of new absorption bands close to the monomer fundamental modes from the far to the near IR region. We highlight the presence of isomers for the N2O–H2O complex with the help of theoretical calculations at second order M?ller-Plesset (MP2) and coupled-cluster single double triple-F12a/aug-cc-pVTZ levels. The observed frequencies for the N2O–(H2O)2 and (N2O)2–H2O complexes are compared with MP2/aug-cc-pVTZ harmonic data. Anharmonic coupling constants have been derived from the observations of overtones and combination bands.
关键词： ab initio calculations,anharmonic coupling constants,neon matrix isolation,N2O–H2O complexes,Fourier transform infrared spectroscopy
更新于2025-09-09 09:28:46
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Fourier Transform Infrared Spectroscopy: Applications in Medicine
摘要： Fourier transform infrared spectroscopy (FTIR) is rapidly gaining ground in modern clinical research. This technique is useful for understanding a wide variety of applications ranging from characterization and quality control of various compounds to biomedicine. Importantly, biological materials like proteins, carbohydrates, lipids and nucleic acids have unique structures so it is possible to obtain spectral fingerprints corresponding to their functional groups. FTIR spectroscopic techniques generate an immediate appeal in the field of biology and medicine because of their fast and non-invasive nature. It allows easy visualization of cellular components based on their intrinsic properties and chemical composition. It provides a potential route to screen diagnostic markers for diseases like cancer. FTIR spectroscopy is also considered as a useful tool for analysis of the chemical composition of human calculi. Analysis of stone samples from recurrent stone formers by FTIR may provide a clue to effective prevention of stone recurrence [1]. Fourier transform infrared (FT-IR) spectroscopy has proven to be a fundamental and valuable technique in biology and medicine due to its high sensitivity to detecting changes in the functional groups belonging to tissue components such as lipids, proteins and nucleic acids [2]. Infrared spectra of human and animal tissues could provide information on the molecular structure of tissues. FT-IR has been extensively applied for the determination of a biochemical metabolite in biological fluids. Diagnosis of various types of malignancies such as lung, breast, skin, cervical and colon cancers is already reported in the literature. The spectra are analysed for changes in levels of molecules such as RNA, DNA, phosphates, and carbohydrates. Variation of the RNA/DNA ratio as measured at 1121/1020 cm-1 generally show higher ratio for malignant tissues compared to their non-malignant counterpart. Changes in the spectra of malignant samples were also observed in the symmetric and asymmetric stretching bands of the phosphodiester backbones of nucleic acids, the CH stretching region, the C-O stretching bands of the C-OH groups of carbohydrates and cellular protein residuals, and the pressure dependence of the CH2 stretching mode [3]. The changes in the FTIR spectra correlate to modification of bases and sugars, and redistribution of the H-bond network. The loss/change in the covalent bonds due to damage in the primary, secondary and tertiary structure of nucleic acids can be observed in the spectra. These changes involved the phosphate and C-O stretching bands, the CH stretch region, and the pressure dependence of the CH2 bending and C=O stretching modes. FTIR micro spectroscopy has also been used as a fast diagnostic technique to identify drugs targeting specific molecular pathways causing chronic myeloid leukaemia. Chemometric data analysis was used to assess drug compounds in ex vivo cancer cells [4]. Substantial progress has been made in incorporating advances in computational methods into the system to increase the sensitivity of the entire setup, making it an objective and sensitive technique suitable for automation to suit the demands of the medical community. FTIR spectroscopy provides the possibility of obtaining information on molecular composition and structure at the level of single cell within a time-scale of few seconds-minutes and to perform qualitative and quantitative multi-component analyses. It helps in automated pattern recognition and objective classifications of samples with minimal and label-free sample treatment. The technical improvements will progressively increase the number of potential applications of micro FT-IR to cancer research and clinical diagnosis. It may be hoped that the future pre-clinical and clinical trials will include sample evaluation utilizing this technique in order to obtain data necessary to validate the use of micro FT-IR spectroscopy in a clinical context. In fact, this appears to be the most important way to reduce the high level of skepticism of many biologists and pathologists about an old technology that has been designed and improved mainly for applications in clinical diagnosis including cancer research.
关键词： cancer research,biomedicine,clinical diagnosis,Fourier transform infrared spectroscopy,FTIR,clinical research
更新于2025-09-09 09:28:46
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Dense restructuring of amorphous silicon network induced by non-bonded hydrogen
摘要： We con?rmed the presence of non-bonded hydrogens (NBHs) in hydrogenated amorphous silicon (a-Si:H) ?lms, using a combination of multiple techniques (Rutherford backscattering spectrometry/hydrogen forward scattering, Fourier-transform infrared spectroscopy-attenuated total re?ection, and thermal desorption spectrometry). The hydrogen e?usion pro?le of an a-Si:H ?lm with large amounts of NBHs was analyzed in detail. We report the e?ect of NBHs on band structure and electrical conductivity, and we present additional considerations for previous data on number density of silicon, optical bandgap, and vacancy size distribution [J. Non-Cryst. Solids 447, 207 (2016)]. The e?ect of NBHs on the a-Si network is explained by the “dense restructuring model”.
关键词： thermal desorption spectrometry,Rutherford backscattering spectrometry,hydrogenated amorphous silicon,non-bonded hydrogens,dense restructuring model,Fourier-transform infrared spectroscopy
更新于2025-09-09 09:28:46
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Chemical analysis of in vivo–irradiated dentine of head and neck cancer patients by ATR-FTIR and Raman spectroscopy
摘要： Objectives To evaluate the effect of in vivo radiotherapy on the chemical properties of human dentine by Fourier-transform infrared spectroscopy (FTIR) and Raman analysis. Materials and methods Chemical composition was evaluated comparing control and irradiated group (n = 8). Irradiated teeth were obtained from radiotherapy patients subjected to fractionated X-ray radiation of 1.8 Gy daily totaling 72 Gy. The teeth were sectioned according to the type of dentine (crown or root dentine), obtaining 3-mm dentine cervical slices. The analyzed parameters by FTIR and Raman spectroscopies were mineral/matrix ratio (M:M), carbonate/mineral ratio (C:M), amide I/amide III ratio, and amide I/CH2 ratio. Raman also calculated the phosphate and carbonate crystallinity. Results FTIR revealed that M:M had a decrease in both factors (p = 0.008; p = 0.043, respectively) and root dentine showed a lower C:M in the irradiated group (p = 0.003). Raman revealed a higher phosphate crystallinity and a lower carbonate crystallinity in crown dentine of irradiated group (p = 0.021; p = 0.039). For amide I/amide III, the irradiated showed a lower ratio when compared to the control group (FTIR p = 0.002; Raman p = 0.017). For amide I/CH2, the root dentine showed a higher ratio than the crown dentine in both methods (p < 0.001). Conclusions Radiotherapy altered the chemical composition of human dentine. The exchange of phosphate-carbonate ions in the hydroxyapatite and higher concentration of organic components was found after radiotherapy. Clinical relevance The increased risk of radiation-related caries in patients undergoing head and neck radiotherapy is due not only to salivary, dietary, and microbiological changes but also to changes in tooth chemical composition.
关键词： Radiotherapy,Raman spectroscopy,Head and neck cancer,Fourier-transform infrared spectroscopy,Dentine
更新于2025-09-09 09:28:46
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Rapid subtyping of pathogenic and nonpathogenic Vibrio parahaemolyticus by fourier transform infrared spectroscopy with chemometric analysis
摘要： Vibrio parahaemolyticus which naturally inhabits marine and estuarine environment represents pathogenic strains (virulence genes tdh or trh positive) and non-pathogenic strains (virulence genes negative). In this study, a rapid method for subtyping pathogenic and non-pathogenic V. parahaemolyticus was established using fourier transform infrared (FTIR) spectroscopy with chemometric analysis. This method targeted three strains of genotypes of V. parahaemolyticus including tdh positive, trh positive and virulence gene-negative (nonpathogenic) V. parahaemolyticus. The FTIR absorption spectra between 1800 and 900 cm?1 highlighted the most distinctive variations and were the most useful for characterizing the three bacteria. The successful differentiation and identification of the three bacteria could be accomplished in less than 1 h by FTIR using principal component analysis (PCA), or another cluster model of hierarchical cluster analysis (HCA). The method was verified by analyzing spiked V. parahaemolyticus fish samples. Furthermore, all of ten clinical isolates of V. parahaemolyticus were identified as tdh-positive, none of the clinical isolates were trh-positive, and all of ten environmental isolates were identified as non-pathogenic by the subtyping method, which were confirmed by PCR assays. All data demonstrated that the newly established subtyping method by FTIR is practical, time-saving, labor-saving, specific and cost-effective, especially suitable for the basic laboratories of CDC and port quarantine departments to perform suiveillance and epidemiological traceability of pathogenic V. parahaemolyticus.
关键词： Pathogenicity,Principal component analysis,Fourier transform infrared spectroscopy,Hierarchical cluster analysis,Vibrio parahaemolyticus,Subtype
更新于2025-09-09 09:28:46
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Development of a radiative transfer model for the determination of toxic gases by Fourier transform–infrared spectroscopy with a support vector machine algorithm
摘要： This report describes a radiative transfer model for Fourier transform-infrared (FT-IR) spectroscopy to create close-to-reality toxic gas spectra by reflecting the unique spectral responses of detectors and using the atmospheric radiative transfer code, MODTRAN. This system can be highly useful in overcoming the limitations for measuring toxic gases in open environments. The emulated gas spectra can be used to train support vector machine (SVM) for chemical gas detection. Its detection performance is evaluated with nerve agents (tabun, sarin, soman, and cyclosarin) and a simulant gas (sulfur hexafluoride) for indoor and outdoor experiments by using two off-the-shelf FT-IR gas detectors. The experimental results show that the proposed SVM algorithm successfully detected and classified targeted gases while reducing false negative and false positive detection rates.
关键词： support vector machine gas detection,Fourier transform infrared remote sensing,support vector machine,hyperspectral imaging,Fourier transform – infrared spectroscopy,stand-off detection
更新于2025-09-04 15:30:14