High Wavenumber Region Research Articles

The response of an acoustic trace wavelength enhanced array to an isotropic noise field and optimum processing

Recently, a new array based on generating Bragg-scattered acoustic wavelengths along the surface of an array was proposed (Enhanced directivity with array grating (J. Acoust. Soc. Am. 136 (2), 2014) and Experimental verification of acoustic trace wavelength enhancement (J. Acoust. Soc. Am. 138 (6), 2015)). The technique, denoted acoustic trace wavelength enhancement, relies on embedding periodic structures within an array, chosen to precisely replicate and shift the incident acoustic wavenumber into higher wavenumber regions. In principle, an important advantage of this array over conventional hydrophone-based arrays of the same size is its greatly improved directivity. A prototype array was built and demonstrated in a test tank under idealized high signal-to-noise ratio conditions. However, two important open questions which remain are how this array responds to ambient noise and how to optimally beamform it when multiple signals are present. Using idealized analytical models for the array's plane wave r...

Very large scale motions in the atmospheric surface layer: a field investigation

A field observation array for the atmospheric surface layer (ASL) was built on a dry flat bed of Qingtu Lake in Minqin (China) as the Qingtu Lake Observation Array (QLOA) site, which is similar to the Surface Layer Turbulence and Environmental Science Test (SLTEST) site in the Utah (USA) Western desert. The present observation array can synchronously perform multi-point measurements of wind velocity and temperature at different vertical and streamwise positions. In other words, three-dimensional turbulent ASL flows can be measured at the QLOA station and Reynolds numbers as high as $Re_{\unicode[STIX]{x1D70F}}\sim O(10^{6})$ can be achieved with steady wind conditions. By careful selection and pretreatment for measured data of more than 1200 h, the QLOA data have been validated to be reliable for high Reynolds number turbulent boundary layer research. Results from correlation and spectral analysis confirm that very large scale motions (VLSMs) exist in the ASL at a Reynolds number up to $Re_{\unicode[STIX]{x1D70F}}\approx 4\times 10^{6}$. Through premultiplied spectral analysis, it is revealed that the spectral energy in the high-wavenumber region decreases with height, similar to turbulent boundary layers at low or moderate Reynolds numbers, while it increases with height in the low-wavenumber region resulting in a log–linear increase of VLSMs energy with height, which is different from turbulent boundary layers at low or moderate Reynolds numbers. The present analyses support the view that the evolution of the VLSMs cannot be fully attributed to a ‘bottom-up’ mechanism alone, and probably other mechanisms, including a ‘top-down’ mechanism, also play a role.

Optical diagnosis of actinic cheilitis by infrared spectroscopy

Actinic cheilitis (AC) is considered a potentially malignant disorder of the lip. Biomolecular markers study is important to understand malignant transformation into squamous cell carcinoma. Fourier transform infra red (FT-IR) spectroscopy was used to analyze AC in this study. ObjectivesThe aim of the study was to evaluate if FT-IR spectral regions of nucleic acids and collagen can help in early diagnosis of malignant transformation. MethodsTissues biopsies of 14 patients diagnosed with AC and 14 normal tissues were obtained. FT-IR spectra were measured at five different points resulting in 70 spectra of each. Analysis of Principal components analysis (PCA) and linear discrimination analysis (LDA) model were also used. In order to verify the statistical difference in the spectra, Mann-Whitney U test was performed in each variable (wavenumber) with p-value <0.05. ResultsAfter the Mann-Whitney U test the vibrational modes of CO (Collagen 1), PO2 (Nucleic Acids) and CO asymmetric (Triglycerides/Lipids) were observed as a possible spectral biomarker. These bands were chosen because they represent the vibrational modes related to collagen and DNA, which are supposed to be changed in AC samples. Based on the PCA-LDA results, the predictive model corresponding to the area under the curve was 0.91 for the fingerprint region and 0.83 for the high wavenumber region, showing the greater accuracy of the test. ConclusionsFT-IR changes in collagen and nucleic acids could be used as molecular biomarkers for malignant transformation.

Dielectric properties and defect chemistry of barium titanate ceramics co-doped R and Dy ions (R=Eu, Gd, Tb)

The structure, microstructure, dielectric behavior, point defects, mixed valence states, site occupations, and defect chemistry of nominal (Ba1−xRx)(Ti1−xDyx)O3 (x=0.06, R=Eu, Gd, Tb) (BRTD) ceramics were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy, electron paramagnetic resonance (EPR), dielectric and resistivity measurements. BRTD exhibited a tetragonal perovskite structure, a higher ceramic density of ρr=91% of theoretical density, a diffuse phase transition (DPT) behavior, and a nonlinear shift in dielectric-peak temperature (Tm) with the kind of doping ions. The feature of mixed valence states associated with site occupation is responsible for this abnormal Tm-shift rate. BRTD with R=Tb exhibited a lowest dielectric loss of tan δ=0.025 at 1kHz and a nearly frequency-independent stability up to 107Hz at room temperature. A double-site compensation mode of GdBa•-DyTi' could be formed and led to a rapid Tm-shift rate of approximately −10°C/%(Gd-Dy). A symmetrical EPR signal at g=1.985 was designated as Gd3+ (4f7) Kramers ions. The mixed valence states of Ba-site Eu3+/Eu2+ (4f7) and Ba-site Tb3+/Ti-site Tb4+ (4f7) appeared in BRTD owing to the metastable nature of the 4f7 electron configuration. The Raman spectra in a high-wavenumber region of 1500–6700cm−1 were discovered and might be likely linked to the 4f7 doping ions, such as Eu2+, Gd3+, and Tb4+ ions. The defect chemistry is discussed.

Achievable performance of a novel Bragg-scattered acoustic receiving array

The merits of a novel beamforming technique, based on generating Bragg-scattered acoustic wavelengths along the surface of an array, will be described. The technique, denoted acoustic trace wavelength enhancement, relies on embedding periodic structures within an array, chosen to precisely replicate and shift an incident acoustic wavenumber into higher wavenumber regions. Thus, shorter trace wavelengths are created over the aperture surface. The enhancement technique is documented in two recent publications: enhanced directivity with array grating [J. Acoust. Soc. Am. 136, 2014] and experimental verification of acoustic trace wavelength enhancement [J. Acoust. Soc. Am. 138, 2015). These references dealt, however, solely with high signal-to-noise ratios. Specifically, we will investigate the noise characteristics of this new array by calculating its array gain and Cramer-Rao lower bounds on bearing estimation error for plane wave signals embedded in an isotropic Gaussian noise field. Of particular interest...

Polarization-resolved hyperspectral stimulated Raman scattering microscopy for label-free biomolecular imaging of the tooth

We report the development and implementation of a rapid polarization-resolved hyperspectral stimulated Raman scattering (SRS) microscopy technique for label-free biomolecular imaging of the tooth. The hyperspectral SRS imaging technique developed covers both fingerprint (800–1800 cm−1) and high-wavenumber (2800–3600 cm−1) regions for tooth Raman imaging without fluorescence background interference with an imaging speed of &amp;lt;0.3 s per frame of 512 × 512 pixels (∼1 μs per pixel), that is, &amp;gt;106 faster than confocal Raman imaging. Significant differences of hyperspectral SRS spectra among different tooth locations (e.g., dentin, enamel, and dentin-enamel junction) are observed, revealing the biochemical distribution differences across the tooth. Further polarization-resolved SRS imaging shows different polarization dependences related to the molecular orientation differences of various tooth locations. This work demonstrates the potential of polarization-resolved hyperspectral SRS imaging technique developed in rapidly characterizing biochemical structures and compositions as well as biomolecule organizations/orientations of the tooth without labeling.

Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity.

Real-time Raman spectroscopy can be used to assist in assessing skin lesions suspicious for cancer. Most of the diagnostic algorithms are based on full band of the Raman spectra, either in the fingerprint region or the high wavenumber region. In this paper we explored wavenumber selection based analysis in Raman spectroscopy for skin cancer diagnosis. Wavenumber selection was implemented using windows of wavenumber and leave-one-out cross-validated stepwise regression or least and shrinkage selection operator (LASSO). The diagnostic algorithms were then generated from the selected windows of wavenumber using multivariate statistical analyses, including principal component and general discriminate analysis (PC-GDA) and partial least squares (PLS). In total a combined cohort of 645 confirmed lesions from 573 patients encompassing skin cancers, precancers and benign skin lesions were included, which were divided into training cohort (n = 518) and testing cohort (n = 127) according to the measurement time. It was found that the area under the receiver operating characteristic curve (ROC) was improved from 0.861-0.891 to 0.891-0.911 and the diagnostic specificity for fixed sensitivity 0.99-0.90 was improved from 0.17-0.65 to 0.20-0.75 with wavenumber selection based analysis.

Nonlinear interaction between surface plasmons and ion oscillations in a semi-bounded collisional quantum plasma

In this paper, we have investigated the nonlinear interaction between high-frequency surface plasmons and low-frequency ion oscillations in a semi-bounded collisional quantum plasma. By coupling the nonlinear Schrodinger equation and quantum hydrodynamic model, and taking into account the ponderomotive force, the dispersion equation is obtained. By solving this equation, it is shown that there is a modulational instability in the system, and collisions and quantum forces play significant roles on this instability. The quantum tunneling increases the phase and group velocities of the modulated waves and collisions increase the growth rate of the modulational instability. It is also shown that the effect of quantum forces and collisions is more significant in high modulated wavenumber regions.

Effect of barium doping on structural and optical properties of zinc oxide nanoparticles synthesized by microwave hydrothermal method

Undoped and Ba‐doped ZnO nanoparticles were successfully synthesized using microwave hydrothermal method. The influence of Barium concentration on physical and optical properties of ZnO nanoparticles was investigated. X‐Ray Diffraction (XRD) analysis revealed that the synthesized ZnO nanoparticles are polycrystalline with hexagonal wurtzite crystal structure and their average crystallite sizes are found to vary from 20 to 21.5 nm in diameter. The SEM images showed that surface morphology of the samples was influenced by the presence of Ba impurities. Ultraviolet and green emission bands around 415 and 603 nm, respectively were observed in photoluminescence spectra for all samples. The FTIR spectra indicated the presence of the distinct characteristic absorption peak at 489 cm−1 for Zn–O stretching modes. Raman spectra exhibited the presence of an intense peak around 437 cm−1 followed by a peak around 586 cm−1 in the higher wave number region.

Structural characterization, solvent effects on nuclear magnetic shielding tensors, experimental and theoretical DFT studies on the vibrational and NMR spectra of 3-(acrylamido)phenylboronic acid

Structural elucidation of 3-(acrylamido)phenylboronic acid (C9H10BNO3) was carried out with 1H, 13C and HETCOR NMR techniques. Solvent effects on nuclear magnetic shielding tensors were examined with deuterated dimethyl sulfoxide, acetone, methanol and water solvents. The correct order of appearance of carbon and hydrogen atoms on NMR scale from highest magnetic field region to the lowest one were investigated using different types of theoretical levels and the details of the levels were presented in this study. Stable structural conformers and vibrational band analysis of the title molecule (C9H10BNO3) were studied both experimental and theoretical viewpoints using FT-IR, Raman spectroscopic methods and density functional theory (DFT). FT-IR and Raman spectra were obtained in the region of 4000–400 cm−1, and 3700–10 cm−1, respectively. Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-31++G(d, p) basis set was included in the search for optimized structures and vibrational wavenumbers. Experimental and theoretical results show that after application of a suitable scaling factor density functional B3LYP method resulted in acceptable results for predicting vibrational wavenumbers except OH and NH stretching modes which is most likely arising from increasing unharmonicity in the high wave number region and possible intra and inter molecular interaction at OH edges those of which are not fully taken into consideration in theoretical processes. To make a more quantitative vibrational assignments, potential energy distribution (PED) values were calculated using VEDA 4 (Vibrational Energy Distribution Analysis) program.

NMR, FT-IR, Raman and UV–Vis spectroscopic investigation and DFT study of 6-Bromo-3-Pyridinyl Boronic Acid

Possible stable conformers and geometrical molecular structures of 6-Bromo-3-Pyridinyl Boronic acid (6B3PBA; C5H5BBrNO2) were studied experimentally and theoretically using FT-IR and Raman spectroscopic methods. FT-IR and Raman spectra were recorded in the region of 4000–400 cm−1 and 3700–400 cm−1, respectively. The structural properties were investigated further, using 1H, 13C, 1H coupled 13C, HETCOR, COSY and APT NMR techniques. The optimized geometric structures were searched by Becke-3–Lee–Yang–Parr (B3LYP) hybrid density functional theory method with 6-311++G(d, p) basis set. Vibrational wavenumbers of 6B3PBA were calculated whereby B3LYP density functional methods including 6-311++G(d, p), 6-311G(d, p), 6-311G(d), 6-31G(d, p) and 6-31G(d) basis sets. The comparison of the experimentally and theoretically obtained results using mean absolute error and experimental versus calculated correlation coefficients for the vibrational wavenumbers indicates that B3LYP method with 6-311++G(d, p) gives more satisfactory results for predicting vibrational wavenumbers when compared to the 6-311G(d, p), 6-311G(d), 6-31G(d, p) and 6-31G(d) basis sets. However, this method and none of the mentioned methods here seem suitable for the calculations of OH stretching modes, most likely because increasing unharmonicity in the high wave number region and possible intra and inter molecular interactions at OH edges lead some deviations between experimental and theoretical results. Moreover, reliable vibrational assignments were made on the basis of total energy distribution (TED) calculated using scaled quantum mechanical (SQM) method.

Implementation of a novel low‐noise InGaAs detector enabling rapid near‐infrared multichannel Raman spectroscopy of pigmented biological samples

Pigmented tissues are inaccessible to Raman spectroscopy using visible laser light because of the high level of laser‐induced tissue fluorescence. The fluorescence contribution to the acquired Raman signal can be reduced by using an excitation wavelength in the near infrared range around 1000 nm. This will shift the Raman spectrum above 1100 nm, which is the principal upper detection limit for silicon‐based CCD detectors. For wavelengths above 1100 nm indium gallium arsenide detectors can be used. However, InGaAs detectors have not yet demonstrated satisfactory noise level characteristics for demanding Raman applications. We have tested and implemented for the first time a novel sensitive InGaAs imaging camera with extremely low readout noise for multichannel Raman spectroscopy in the short‐wave infrared (SWIR) region. The effective readout noise of two electrons is comparable to that of high quality CCDs and two orders of magnitude lower than that of other commercially available InGaAs detector arrays. With an in‐house built Raman system we demonstrate detection of shot‐noise limited high quality Raman spectra of pigmented samples in the high wavenumber region, whereas a more traditional excitation laser wavelength (671 nm) could not generate a useful Raman signal because of high fluorescence. Our Raman instrument makes it possible to substantially decrease fluorescence background and to obtain high quality Raman spectra from pigmented biological samples in integration times well below 20 s. Copyright © 2015 John Wiley &amp; Sons, Ltd.

Unusual behavior of benzoic acid at low temperature: Raman spectroscopic study

The Raman spectra of benzoic acid single crystals have been measured in the temperature range of 5–300K. At T<60K the spectra show at least two anomalous features, one of which is of direct relevance to intensity changes of the lattice modes in the low-wavenumber region. The intensity of modes at ∼86 and ∼146cm−1 tends to zero at T→0K. It is associated with appearance of two H-bonds of different length in the same l-tautomer, and with the loss of the inversion center in the dimer. The modes at ∼86 and ∼146cm−1 are assigned to symmetric stretching intra-dimer vibrations of the OH⋯O hydrogen bonds of the first and second order, respectively. The assignment is based on the measurements of spectral parameters as function of temperature. The other anomaly is that the series of weak and narrow bands arises in the high-wavenumber region of 2500–3700cm−1. The bands are assigned to combination tones of O–H hydrogen bonded stretching vibration and intramolecular modes. This effect results from a low-temperature transition of a conventional two wells potential of short H-bond in the l-tautomer to asymmetrical single well potential, and is due to a strong coupling of intramolecular vibrations to O–H stretching.

Theoretical and experimental study of the vibrational spectra of (para)symplesite and hörnesite

Arsenate water-bearing minerals, hörnesite (Alšar, Macedonia) and symplesite (Laubach, Germany), were studied by vibrational (IR and Raman) spectroscopy and X-ray powder diffraction. The observed vibrational spectra in both the high (1100–600cm−1) and low (600–450cm−1) wavenumber regions of AsO4 and H2O vibrations could be used to discriminate the two studied minerals. Spectral differences are especially pronounced in the bending and stretching regions of the H2O vibrations in the IR spectra. The observed bands in IR and Raman spectra were tentatively assigned. To support the assignment, IR spectra were theoretically simulated. These calculations were performed using the crystal structure of parasymplesite (no structural information of symplesite has been published so far) and hörnesite using a 3D periodic plane-wave pseudopotential density functional theory approach applying various combinations of exchange–correlation functionals. In this article, we report on the first experimental study of the vibrational spectra of the very rare symplesite mineral.

Line monitoring by near-infrared chemometric technique for potential ethanol production from hydrothermally treated Eucalyptus globulus

This study reports a method that combines near-infrared (NIR) measurements with multivariate analysis to predict the saccharification efficiency of hydrothermally pretreated Eucalyptus globulus during ethanol conversion. Optimization of the NIR data with or without spectral treatment determined the best calibration model in the region 10000–4000cm−1 of the original spectra, with an RMSEP of 2.08% and Rp2 of 0.99. By investigating the regression coefficient to understand the key regions and chemical components, for original and multiplicative scatter correction (MSC)-treated spectra, the water absorption and higher wavenumber regions were important. For the second derivative spectra, the regression model was constructed based on the CH overtone vibrations (6050–5500cm−1). The regression coefficient demonstrated that the removal of hemicellulose resulted in higher lignin content, which might affect the biomass properties in terms of water absorption and enhanced enzymatic hydrolysis evaluated by dinitrosalicylic acid (DNS) method. For a higher throughput system, aqueous sample analysis was performed using an immersion probe equipped with an InGaAs detector, which generated an acceptable calibration model having RMSEP of 4.25% and Rp2 of 0.94. These results show the great potential of NIR spectroscopy for achieving fast, accurate, and nondestructive analysis, and its highly adaptability for maintaining an ethanol bioconversion system.TGS, triglycine sulfate

Epi-detected quadruple-modal nonlinear optical microscopy for label-free imaging of the tooth

We present an epi-detected quadruple-modal nonlinear optical microscopic imaging technique (i.e., coherent anti-Stokes Raman scattering (CARS), second-harmonic generation (SHG), third-harmonic generation (THG), and two-photon excited fluorescence (TPEF)) based on a picosecond (ps) laser-pumped optical parametric oscillator system for label-free imaging of the tooth. We demonstrate that high contrast ps-CARS images covering both the fingerprint (500–1800 cm−1) and high-wavenumber (2500–3800 cm−1) regions can be acquired to uncover the distributions of mineral and organic biomaterials in the tooth, while high quality TPEF, SHG, and THG images of the tooth can also be acquired under ps laser excitation without damaging the samples. The quadruple-modal nonlinear microscopic images (CARS/SHG/THG/TPEF) acquired provide better understanding of morphological structures and biochemical/biomolecular distributions in the dentin, enamel, and the dentin-enamel junction of the tooth without labeling, facilitating optical diagnosis and characterization of the tooth in dentistry.

壁面近傍のスキームが壁面近傍渦運動から発生する空力音の数値計算に与える影響

In this paper, direct numerical simulations of the sound from vortex dipole rebound from an adiabatic non-slip wall are performed to investigate the impacts of the boundary schemes combined with the 6th order compact scheme on the capability of capturing the acoustic waves generated by vortical flows near a wall. The free parameter of the compact filter α=0.45 and α=0.49 are chosen to clarify effects of boundary schemes in high wave number region. Results show that some boundary schemes make the computations unstable and high order boundary schemes are not always appropriate. It is found that in the case of α=0.45, no remarkable difference is found in the results computed by each boundary scheme. On the other hand, in the case of α=0.49, the vorticity of vortex dipole almost does not depend on the each scheme. However, the vorticity of secondary vortex on the wall computed depends on the each boundary scheme and spatial resolution. This causes large difference in the distributions of vorticity and sound waves. It is therefore clearly understood that the characteristics of the first derivative of the boundary schemes combined with the 6th order compact scheme in the high wave number band affect the capability to precisely capture the aerodynamic sound. When the compact filter's free parameter is chosen to be α=0.49, the boundary schemes have a strong influence on the computation of aerodynamic sound. Special attention to a combination of boundary and compact schemes is required to perform accurate computations of aerodynamic sound generated by flows near a wall.

Investigation of microstructured chitosans by coherent anti‐Stokes Raman microscopy

This work describes application of coherent anti-Stokes Raman scattering (CARS) microscopy technique for analytical characterization of microstructured materials based on chitosan. We demonstrate that nitrogen-hydrogen vibration band in the high wavenumber region of CARS spectrum prevails over response from oxygen-hydrogen vibrations and can be used as a spectral marker of chitosan. The chemically selective imaging is experimentally demonstrated by applying CARS microscopy to discriminate between chitosan and polystyrene microparticles. CARS microscopy was shown to be a valuable tool for characterization of polluted chitosan fibre from utilized engine filter material. A possibility to observe foreign material pieces on the surface of the polluted chitosan fibre is demonstrated and discussed.

Quality assessment of ozone total column amounts as monitored by ground-based solar absorption spectrometry in the near infrared (&amp;gt; 3000 cm&amp;lt;sup&amp;gt;−1&amp;lt;/sup&amp;gt;)

Abstract. This study examines the possibility of ground-based remote-sensing ozone total column amounts (OTC) from spectral signatures at 3040 and 4030 cm−1. These spectral regions are routinely measured by the NDACC (Network for the Detection of Atmospheric Composition Change) ground-based FTIR (Fourier transform infraRed) experiments. In addition, they are potentially detectable by the TCCON (Total Carbon Column Observing Network) FTIR instruments. The ozone retrieval strategy presented here estimates the OTC from NDACC FTIR high-resolution spectra with a theoretical precision of about 2 and 5% in the 3040 and 4030 cm−1 regions, respectively. Empirically, these OTC products are validated by inter-comparison to FTIR OTC reference retrievals in the 1000 cm−1 spectral region (standard reference for NDACC ozone products), using an 8-year FTIR time series (2005–2012) taken at the subtropical ozone supersite of the Izaña Atmospheric Observatory (Tenerife, Spain). Associated with the weaker ozone signatures at the higher wave number regions, the 3040 and 4030 cm−1 retrievals show lower vertical sensitivity than the 1000 cm−1 retrievals. Nevertheless, we observe that the rather consistent variations are detected: the variances of the 3040 cm−1 and the 4030 cm−1 retrievals agree within 90 and 75%, respectively, with the variance of the 1000 cm−1 standard retrieval. Furthermore, all three retrievals show very similar annual cycles. However, we observe a large systematic difference of about 7% between the OTC obtained at 1000 and 3040 cm−1, indicating a significant inconsistency between the spectroscopic ozone parameters (HITRAN, 2012) of both regions. Between the 1000 cm and the 4030 cm−1 retrieval the systematic difference is only 2–3%. Finally, the long-term stability of the OTC retrievals has also been examined, observing that both near-infrared retrievals can monitor the long-term OTC evolution, consistent with the 1000 cm−1 reference data. These findings demonstrate that recording the solar absorption spectra in the 3000 cm−1 spectral region at high spectral resolution (about 0.005 cm−1) might be useful for TCCON sites. Hence, both NDACC and TCCON ground-based FTIR experiments might contribute to global ozone databases.

A dispersion relation preserving optimized upwind compact difference scheme for high accuracy flow simulations

In this work, we have derived an optimized upwind compact difference scheme for achieving excellent spatial resolution. The derived numerical scheme adds numerical diffusion which is strictly restricted to a high wavenumber region in order to control numerical instabilities, as well as to achieve de-aliasing ability. More importantly, the derived numerical scheme has excellent dispersion relation preserving (DRP) property. The applicability of the proposed scheme in simulating real flow problems has been demonstrated by solving flow inside a lid driven cavity, a transitional flow past AG24 aerofoil and a two-dimensional decaying turbulence flow.