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Effect of low-energy ion impact on the structure of hexagonal boron nitride films studied in surface-wave plasma
摘要： A high‐density surface‐wave plasma source is used to deposit hexagonal boron nitride (hBN) films in a gas mixture of He, H2, N2, Ar, and BF3 under a high ion flux condition using low‐energy ion irradiation. The ion energy is controlled between around zero and 100 eV by applying a negative or positive bias voltage to a substrate, while the ion flux is increased by locating a substrate upstream in the diffusive plasma. For ion energies above ～37 eV, the structure of the films depends upon ion energy more than substrate temperature, typical of subplantation processes. As a result, the structural order and crystallinity of sp2‐bonded phase in the films characterized by Fourier transform infrared spectroscopy and X‐ray diffraction are increased with decreasing ion energy, while the mass density of the films characterized by X‐ray reflectivity is retained relatively high with a slight dependence upon ion energy.
关键词： surface‐wave plasma,Fourier transform infrared spectroscopy (FTIR),chemical vapor deposition (CVD),hexagonal boron nitride (hBN),X‐ray diffraction (XRD),X‐ray reflectivity (XRR)
更新于2025-09-23 15:21:21
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Muscle oxygenation dynamics in response to electrical stimulation as measured with near-infrared spectroscopy: A pilot study
摘要： Neuromuscular electrical stimulation (NMES) is used for preventing muscle atrophy and improving muscle strength in patients and healthy people. However, the current intensity of NMES is usually set at a level that causes the stimulated muscles to contract. This typically causes pain. Quantifying the instantaneous changes in muscle microcirculation and metabolism during NMES before muscle contraction occurs is crucial, because it enables the current intensity to be optimally tuned, thereby reducing the NMES-induced muscle pain and fatigue. We applied near-infrared spectroscopy (NIRS) to measure instantaneous and deoxygenation changes in 43 healthy young adults during NMES at 10, 15, 20, 25, 30, and 35 mA. Having been stabilized at the NIRS signal baseline, total hemoglobin concentration increased immediately after stimulation in a dose-dependent manner (p < 0.05) until stimulation was stopped at the level causing muscle contraction without pain. Tissue deoxygenation appeared relatively unchanged during NMES. We conclude that NIRS can be used to determine the optimal NMES current intensity by monitoring oxygenation changes.
关键词： Muscle oxygenation dynamics,near-infrared spectroscopy,tissue optics,neuromuscular electrical stimulation
更新于2025-09-23 15:21:21
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Characterization of gastric cells infection by diverse Helicobacter pylori strains through Fourier-transform infrared spectroscopy
摘要： The infection of Helicobacter pylori, covering 50% of the world-population, leads to diverse gastric diseases as ulcers and cancer along the life-time of the human host. To promote the discovery of biomarkers of bacterial infection, in the present work, Fourier-Transform infrared spectra were acquired from adenocarcinoma gastric cells, incubated with H. pylori strains presenting different genotypes concerning the virulent factors cytotoxin associated gene A and vacuolating cytotoxin A. Defined absorbance ratios were evaluated by diverse methods of statistical inference, according to the fulfillment of the tests assumptions. It was possible to define from the gastric cells, diverse absorbance ratios enabling to discriminate: i) The infection; ii) The bacteria genotype; and iii) The gastric disease of the patients from which the bacteria were isolated. These biomarkers could fasten the knowledge of the complex infection process while promoting a platform for a new diagnostic method, rapid but also specific and sensitive towards the diagnosis of both infection and bacterial virulence.
关键词： gastric adenocarcinoma cells,biomarkers,Helicobacter pylori,infrared spectroscopy
更新于2025-09-23 15:21:21
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EXPRESS: Mid-Infrared Reflectance Spectroscopy of Oil Sands Minerals Based on Tunable Quantum Cascade Lasers
摘要： Minerals play an important role in the oil sands extraction efficiency. It is thus important to assess the major mineral abundance in oil sands ores. This paper presents the application of tunable quantum cascade lasers for mid-infrared reflectance spectroscopy on oil sands minerals. The investigations and results show a new tool to determine oil sands mineral type and to determine potentially quartz and clay contents.
关键词： Mid-infrared spectroscopy,mid-IR,reflectance spectroscopy,oil sands,QCL,quantum cascade lasers
更新于2025-09-23 15:21:01
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Thulium fiber laser: ready to dust all urinary stone composition types?
摘要： Purpose To evaluate whether stone dust can be obtained from all prevailing stone composition types using the thulium fiber laser (TFL) for lithotripsy. Where applicable, stone dust was further characterized by morpho-constitutional analysis. Methods Human urinary stones were submitted to in vitro lithotripsy using a FiberLase U2 TFL generator with 150 μm silica core fibers (IPG Photonics?, IPG Medical?, Marlborough, MA, USA). Laser settings were 0.05 J, 320 Hz and 200 μs. A total of 2400 J were delivered to each stone composition type. All evaluated stones had a > 90% degree of purity (calcium oxalate monohydrate, calcium oxalate dihydrate, uric acid, carbapatite, struvite, brushite and cystine). Spontaneously floating stone particles were considered as stone dust and collected for analysis by scanning electron microscopy and Fourier transform infrared spectroscopy. Results Stone dust could be retrieved from all evaluated urinary stones after TFL lithotripsy. Most stone dust samples revealed changes in crystalline organization, except for calcium oxalate monohydrate and carbapatite, which conserved their initial characteristics. Mean maximal width of stone dust particles did not exceed 254 μm. Conclusions The TFL is capable to produce stone dust from all prevailing stone types. Morpho-constitutional changes found in stone dust suggest a photothermal interaction of laser energy with the stone matrix during TFL lithotripsy.
关键词： Urolithiasis,Stone dust,Fourier transform infrared spectroscopy,Lithotripsy,Scanning electron microscopy,Thulium fiber laser
更新于2025-09-23 15:21:01
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High-resolution infrared spectroscopy of jet cooled CH <sub/>2</sub> Br radicals: The symmetric CH stretch manifold and absence of nuclear spin cooling
摘要： Direct laser absorption of a slit supersonic discharge expansion provides the first high-resolution spectroscopic results on the symmetric CH stretch excitation (ν1) of the bromomethyl (CH2Br) radical in the ground electronic state. Narrowband (<1 MHz) mid-infrared radiation is produced by difference-frequency generation of two visible laser beams, with the open shell halohydrocarbon radical generated by electron dissociative attachment of CH2Br2 in a discharge and rapidly cooled to Trot = 18 ± 1 K in the subsequent slit-jet supersonic expansion. A rovibrational structure in the radical spectrum is fully resolved, as well as additional splittings due to spin-rotation effects and 79Br/81Br isotopologues in natural abundance. Spectroscopic constants and band origins are determined by fitting the transition frequencies to a non-rigid Watson Hamiltonian, yielding results consistent with a vibrationally averaged planar radical and an unpaired electron in the out-of-plane pπ orbital. Additionally, extensive satellite band structure from a vibrational hot band is observed and analyzed. The hot band data is compared to CFOUR/VPT2 (CCSD(T)cc-pVQZ) ab initio anharmonic predictions of the vibration rotation alpha matrix, which permits unambiguous assignment to CH2 symmetric-stretch excitation built on the singly excited CH2 out-of-plane bending mode (ν1 + ν4 ← ν4). Longitudinal cooling of the Doppler width in the slit-jet expansion geometry also reveals partially resolved hyperfine structure on transitions out of the lowest angular momentum states in excellent agreement with predictions based on microwave studies. High level ab initio MOLPRO calculations [CCSD(T)-f12b/VnZ-f12 (n = 3, 4, CBS)] are also performed with explicitly correlated f12 electron methods for the out-of-plane CH2 bending mode over the halogen series CH2X (X = F, Cl, Br, I), which clearly reveals a non-planar geometry for X = F (with a ΔE ≈ 0.3 kcal/mol barrier) and yet planar equilibrium geometries for X = Cl, Br, and I. Finally, a detailed Boltzmann analysis of the transition intensities provides support for negligible collisional equilibration of the entangled H atom nuclear spin states on the few hundred microsecond time scale and high collision densities of a slit supersonic expansion.
关键词： infrared spectroscopy,jet cooled CH2Br radicals,symmetric CH stretch manifold,nuclear spin cooling
更新于2025-09-23 15:21:01
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Identification of Hybrid Okra Seeds Based on Near-Infrared Hyperspectral Imaging Technology
摘要： Near-infrared (874–1734 nm) hyperspectral imaging technology combined with chemometrics was used to identify parental and hybrid okra seeds. A total of 1740 okra seeds of three different varieties, which contained the male parent xiaolusi, the female parent xianzhi, and the hybrid seed penzai, were collected, and all of the samples were randomly divided into the calibration set and the prediction set in a ratio of 2:1. Principal component analysis (PCA) was applied to explore the separability of different seeds based on the spectral characteristics of okra seeds. Fourteen and 86 characteristic wavelengths were extracted by using the successive projection algorithm (SPA) and competitive adaptive reweighted sampling (CARS), respectively. Another 14 characteristic wavelengths were extracted by using CARS combined with SPA. Partial least squares discriminant analysis (PLS-DA) and support vector machine (SVM) were developed based on the characteristic wavelength and full-band spectroscopy. The experimental results showed that the SVM discriminant model worked well and that the correct recognition rate was over 93.62% based on full-band spectroscopy. As for the discriminative model that was based on characteristic wavelength, the SVM model based on the CARS algorithm was better than the other two models. Combining the CARS+SVM calibration model and image processing technology, a pseudo-color map of sample prediction was generated, which could intuitively identify the species of okra seeds. The whole process provided a new idea for agricultural breeding in the rapid screening and identi?cation of hybrid okra seeds.
关键词： hybrid okra seeds,chemometrics,seed classification,near-infrared spectroscopy
更新于2025-09-23 15:21:01
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Terahertz and Infrared Spectroscopy of Dense and Porous Organosilicate Glass Thin Films
摘要： Wide-range measurements of thin films of SiCxOyHz organosilicate glasses, both dense and porous, deposited on dielectric sapphire substrates and conductive layers of platinum and aluminum, were performed in the THz–IR (5–5000 cm–1) range. This method can be used not only to analyze the evolution of absorption bands in amorphous dielectric films but also to evaluate static conductivity in the framework of the Drude model of conductive layers and to determine the electrodynamic characteristics of organosilicate films with low dielectric permittivity. The original approach proposes a comprehensive analysis of experimental broadband data in order to determine not only the parameters of the individual bands of lattice and molecular vibrations but also the integrated electrodynamic characteristics of the samples obtained.
关键词： simulation of dielectric response spectra,terahertz and infrared spectroscopy,thin films,low-k materials
更新于2025-09-23 15:21:01
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Construction of global and robust near-infrared calibration models based on hybrid calibration sets using Partial Least Squares (PLS) regression
摘要： Near-infrared spectroscopy (NIR) models built on a particular instrument are often invalid on other instruments due to spectral inconsistencies between the instruments. In the present work, global and robust NIR calibration models were constructed by partial least square (PLS) regression based on hybrid calibration sets, which are composed of both primary and secondary spectra. Three datasets were used as case studies. The first consisted of 72 radix scutellaria samples measured on two NIR spectrometers with known baicalin content. The second was composed of 80 corn samples measured on two instruments with known moisture, oil, and protein concentrations. The third dataset included 279 primary samples of tobacco with known nicotine content and 78 secondary samples of tobacco with known nicotine concentrations. The effect of the number of secondary spectra in the hybrid calibration sets and the methods for selecting secondary spectra on the PLS model performance were investigated by comparing the results obtained from different calibration sets. This study shows that the global and robust calibration models accurately predicted both primary and secondary samples as long as the ratios of the number of primary spectra to the number of secondary spectra were less than 22. The models performance was not influenced by the selection method of the secondary spectra. The hybrid calibration sets included the primary spectral information and also the secondary spectra; rendering the constructed global and robust models applicable to both primary and secondary instruments.
关键词： global and robust models,hybrid calibration set,Near-infrared spectroscopy,partial least squares (PLS) regression
更新于2025-09-23 15:21:01
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[ACS Symposium Series] Raman Spectroscopy in the Undergraduate Curriculum Volume 1305 || Investigating the Similarities and Differences among UV/Vis, Infrared, Fluorescence, and Raman Spectroscopies through Discussion of Light–Matter Interactions
摘要： Spectroscopy is an invaluable tool in chemistry and is introduced throughout the undergraduate curriculum. At the fundamental level, spectroscopy measures the interactions between electromagnetic radiation and matter. Usually, students practice measuring spectra to characterize molecules and analyze experimental results. However, too often, little emphasis is placed on the specific interactions of the electromagnetic radiation with matter, which leads to a lack of differentiation and understanding of applicability among spectroscopic techniques. Here, a discussion of scattering, absorption, and emission processes is used to assist in the understanding of different spectroscopic techniques such as infrared and UV/vis (absorption), fluorescence (emission), and Raman (scattering). The purpose is to provide instructors with different visual frameworks and exercises for the introduction of spectroscopy in the undergraduate classroom and laboratory. The intended outcome is for students to understand the experimental spectroscopic techniques at a deeper level, giving rise to improved critical thinking skills in regards to scientific processes.
关键词： Raman,UV/Vis,Fluorescence,Light–Matter Interactions,Infrared,Spectroscopy
更新于2025-09-23 15:21:01