Reference Spectra Research Articles

Dilepton production in proton-proton reaction at 4.5 GeV with the HADES spectrometer

Spectra of dileptons emitted in hadron collisions are important tool to study electromagnetic decays of resonances and the validity of the Vector Meson Dominance model. Furthermore, they provide reference spectra for the hot and dense (heavy-ion A+A collisions) and cold nuclear matter (p+A collisions). In February 2022, proton-proton reactions at 4.5 GeV beam kinetic energy were measured by HADES experiment. The aim of the analysis is to study the specific channels that produced dileptons, such as baryonic resonance Dalitz decays (Δ/N* → Ne+e−) and vector meson decays (ρ/ω/φ→ e+e−). In addition, the investigations of dielectron production above the φ meson mass will be enabled. In this contribution, different steps of the e+e− pair reconstruc tion are discussed.

Cyclopentene and cyclopentadiene formation in isoprene pyrolysis.

Photoion mass-selected threshold photoelectron spectroscopy (ms-TPES) was used to identify the isoprene pyrolysis products in a SiC microreactor at 1400 °C with the help of literature and Franck-Condon simulated reference spectra for molecular species at the detected m/z ratios. The key observation is the presence of equimolar amounts of isoprene and cyclopentene at the pyrolysis temperature based on the m/z 68 ms-TPES, indicating kinetically allowed isoprene isomerization concurrently with fragmentation reactions. This isomerization was computationally explored and was found to take place via a short-lived vinylcyclopropane intermediate, which was previously proposed to isomerize into isoprene and cyclopentene, with the latter product being dominant. Cyclopentene then decomposes by loss of H2 to form m/z 66, cyclopentadiene (also observed). Previously postulated products of dimethylallene, methylallene, and allene were not observed. Of the possible C2-C4-products, the extracted ms-TPES confirmed only 1,3-butadiene and 2-butyne (m/z 54), 1-buten-3-yne (m/z 52), propene (m/z 42), propyne (m/z 40), propargyl radical (m/z 39), as well as C2H4, C2H2, CH4, and CH3. A trace amount of benzene was also observed at m/z 78, indicative of bimolecular chemistry. The results draw into question a number of the suggested unimolecular reaction products in the recent literature and thus the kinetic models for isoprene pyrolysis.

Label-free mapping of cetuximab in multi-layered tumor oral mucosa models by atomic force-microscopy-based infrared spectroscopy.

Sensitive mapping of drugs and drug delivery systems is pivotal for the understanding and improvement of treatment options. Since labeling alters the physicochemical and potentially the pharmacological properties of the molecule of interest, its label-free detection by photothermal expansion is investigated. We report on a proof-of-concept study to map the cetuximab distribution by atomic-force microscopy-based infrared spectroscopy (AFM-IR). The monoclonal antibody cetuximab was applied to a human tumor oral mucosa model, consisting of a tumor epithelium on a lamina propria equivalent. Hyperspectral imaging in the wavenumber regime between 903 cm-1 and 1312 cm-1 and a probing distance between the data points down to 10 × 10 nm are used for determining the local drug distribution. The local distinction of cetuximab from the tissue background is gained by linear combination modeling making use of reference spectra of the drug and untreated models. The results from this approach are compared to principal component analyses, yielding comparable results. Even single molecule detection appears feasible. The results indicate that cetuximab penetrates the cytosol of tumor cells but does not bind to structures in the cell membrane. In conclusion, AFM-IR mapping of cetuximab proved to sensitively determine drug concentrations at an unprecedented spatial resolution without the need for drug labeling.

Terminological and Conceptual Proliferation in Education and Pedagogy

In this article, we realize the epistemological weakness of pedagogy, after reviewing the specialized bibliography in which there is a very wide spectrum of references with respect to its nature, from those that justify and proclaim its scientific character, to the positions that deny it. For a discipline to be recognized as scientific, it is necessary that the body of knowledge that constitutes it has been produced with the application of the scientific method, so that the hypotheses it supports have passed the test of falsity or some other test, such as verifiability or corroboration that allows it to be distinguished from what is not science. The central hypotheses of pedagogy have not passed these requirements, so it is not possible to defend their scientific character. On the other hand, the terminological and conceptual proliferation that we have found, highlights the weakness of its epistemological bases.

Spectra measurement and clustering analysis of global horizontal irradiance for solar energy application

Fine description for regional solar spectra has always been critical for improving solar energy utilization. However, it is difficult and complex to implement due to large amount and high-dimensional characteristics of the measured solar spectra. To address the above challenges, this study proposed a data-driven method to describe regional solar spectra using 211,877 global horizontal irradiance spectra in Beijing area as case data. Firstly, the dimensions of each measured spectrum were reduced from 2,221 to six using the deep autoencoder. Then, all dimensionality-reduced measured spectra were categorized into five clusters using the agglomerative hierarchical clustering. The clustering results exhibited notable variations across different months and dates. Finally, the local reference spectra were determined based on clustering results, and their effects on the performance of typical photovoltaic materials were analyzed. The maximum mismatch factor for typical photovoltaic materials under local reference spectra can reach up to 21 %. The comparisons with standard spectrum highlighted that the superior capacity of local reference spectra to describe the configuration of regional solar energy. This study provides a novel insight into the fine description for regional solar spectra, which sets a new direction for innovation in photovoltaic technology and promotes the sustainable utilization of renewable energy.

A controllable humidity sensitivity measurement solution based on a pure FPI fiber tip and the harmonic Vernier effect

Hygroscopic films used to enhance the humidity sensitivity of fiber-optic sensors often experience material aging and nonlinear response issues. To address this issue, this study proposes a controllable humidity sensitivity measurement solution that offers a simple and cost-effective fabrication process without requiring humidity-sensitive material sensitization. The solution is based on a Fabry-Perot interferometer (FPI) fiber tip and the harmonic Vernier effect. By employing a cascade structure of single-mode fiber (SMF)-hollow core fiber (HCF)-no core fiber (NCF) with fiber grinding techniques, the FPI-based fiber sensing probe constructed a resonance cavity to detect small variations in air refractive index (RI) induced by humidity. A reference spectrum, which can flexibly control parameters, such as free spectral range (FSR), contrast, phase, and intensity, is superimposed onto the sensing spectrum acquired by the FPI fiber sensing tip. By extracting features from the internal envelope generated by the harmonic Vernier effect, the mapping relationship between the center wavelength of the inner envelope and the humidity is determined. The harmonic Vernier effect amplifies the humidity sensitivity of the fiber-optic FPI sensing tip, with the magnification factor determined by the optical path length (OPL) detuning of the created reference and sensing spectra. For the harmonic order j = 4, a humidity sensitivity of approximately 76.01 pm/% RH@ 24 ℃ was achieved without using hygroscopic material sensitization. The proposed solution offers numerous advantages and enables high-precision and high environmental reliability humidity monitoring.

Gaia Focused Product Release: Spatial distribution of two diffuse interstellar bands

Diffuse interstellar bands (DIBs) are absorption features seen in optical and infrared spectra of stars and extragalactic objects that are probably caused by large and complex molecules in the galactic interstellar medium (ISM). Here we investigate the Galactic distribution and properties of two DIBs identified in almost six million stellar spectra collected by the Gaia Radial Velocity Spectrometer. These measurements constitute a part of the Gaia Focused Product Release to be made public between the Gaia DR3 and DR4 data releases. In order to isolate the DIB signal from the stellar features in each individual spectrum, we identified a set of 160 000 spectra at high Galactic latitudes (|b| ⩾ 65°) covering a range of stellar parameters which we consider to be the DIB-free reference sample. Matching each target spectrum to its closest reference spectra in stellar parameter space allowed us to remove the stellar spectrum empirically, without reference to stellar models, leaving a set of six million ISM spectra. Using the star’s parallax and sky coordinates, we then allocated each ISM spectrum to a voxel (VOlume piXEL) on a contiguous three-dimensional grid with an angular size of 1.8° (level 5 HEALPix) and 29 unequally sized distance bins. Identifying the two DIBs at 862.1 nm (λ862.1) and 864.8 nm (λ864.8) in the stacked spectra, we modelled their shapes and report the depth, central wavelength, width, and equivalent width (EW) for each, along with confidence bounds on these measurements. We then explored the properties and distributions of these quantities and compared them with similar measurements from other surveys. Our main results are as follows: (1) the strength and spatial distribution of the DIB λ862.1 are very consistent with what was found in Gaia DR3, but for this work we attained a higher signal-to-noise ratio in the stacked spectra to larger distances, which allowed us to trace DIBs in the outer spiral arm and beyond the Scutum–Centaurus spiral arm; (2) we produced an all-sky map below ±65° of Galactic latitude to ~4000 pc of both DIB features and their correlations; (3) we detected the signals of DIB λ862.1 inside the Local Bubble (≲200 pc); and (4) there is a reasonable correlation with the dust reddening found from stellar absorption and EWs of both DIBs with a correlation coefficient of 0.90 for λ862.1 and 0.77 for λ864.8.

МАСС-СПЕКТРОМЕТРИЧЕСКАЯ БАЗА ДАННЫХ ДЛЯ ИДЕНТИФИКАЦИИ ДИРОФИЛЯРИЙ

The results of using MS MALDI-TOF for diagnosing helminths are modest, but recent studies show the promise of this method for reliable identification of nematodes. The article provides information on compiling a database of dirofilaria (Dirofilaria immitis, Dirofilaria repens). The protein spectra obtained from 58 D. repens and 118 D. immitis specimens were analyzed using a software mass spectrometer Bruker Daltonics Germany. Adult D. repens specimens and their fragments were obtained from 52 patients of medical organizations in the Rostov region and the South of Russia and from 6 dogs from veterinary clinics in the Rostov region. Adult D. immitis were removed from the heart and large pulmonary vessels of 11 animals of the canine family. The obtained numerical values determine the number of reference spectra and, on their basis, create databases for the identification of the nematode of the genus Dirofilaria. Type and version of the database management system: Bruker Daltonics Biotyper. Database size 562 KB (0,562 MB): D. repens – 145 KB, D. immitis – 417 KB. Based on the data obtained a certificate of registration.

Use of in vivo Raman spectroscopy and cryoablation for diagnosis and treatment of bladder cancer

Transurethral resection of bladder tumor (TURBT) is the first-line treatment option for non-muscle invasive bladder cancer (NMIBC), but residual tumor often remains after TURBT, thereby leading to cancer recurrence. Here, we introduce combined use of in vivo Raman spectroscopy and in vivo cryoablation as a new approach to detect and remove residual bladder tumor during TURBT. Bladder cancer (BCa) patients treated with TURBT at our urological department between Dec 2019 and Jan 2021 were collected. First, Raman signals were collected from 74 BCa patients to build reference spectra of normal bladder tissue and of bladder cancers of different pathological types. Then, another 53 BCa patients were randomly categorized into two groups, 26 patients accepted traditional TURBT, 27 patients accepted TURBT followed by Raman scanning and cryoablation if Raman detected existence of residual tumor. The recurrence rates of the two groups until Oct 2022 were compared. Raman was capable of discriminating normal bladder tissue and BCa with a sensitivity and specificity of 90.5% and 80.8 %; and discriminating invasive (T1, T2) and noninvasive (Ta) BCa with a sensitivity and specificity of 83.3 % and 87.3 %. During follow-up, 2 in 27 patients had cancer recurrence in Raman-Cryoablation group, while 8 in 26 patients had cancer recurrence in traditional TURBT group. Combined use of Raman and cryoablation significantly reduced cancer recurrence (p = 0.0394). Raman and cryoablation can serve as an adjuvant therapy to TURBT to improve therapeutic effects and reduce recurrence rate.

HAXPES reference spectra of bulk W and WSe2 with Cr Kα excitation

Monochromatic Cr Kα radiation (5414.8 eV) was used to acquire high-energy photoelectron spectroscopy data on pure W and bulk WSe2 compound. The reported spectra include a survey scan and high-resolution W 3p1/2, W 3p3/2, W 3d3/2, W 3d5/2, W 4s, W 4p1/2, W 4p3/2, W 4d, W 4f, Se 2s, Se 2p1/2, Se 2p3/2, Se 3s, and Se 3p core-levels. The data will be useful as reference core-level spectra for HAXPES studies on tungsten and its compounds.

MetaboLights: open data repository for metabolomics.

MetaboLights is a global database for metabolomics studies including the raw experimental data and the associated metadata. The database is cross-species and cross-technique and covers metabolite structures and their reference spectra as well as their biological roles and locations where available. MetaboLights is the recommended metabolomics repository for a number of leading journals and ELIXIR, the European infrastructure for life science information. In this article, we describe the continued growth and diversity of submissions and the significant developments in recent years. In particular, we highlight MetaboLights Labs, our new Galaxy Project instance with repository-scale standardized workflows, and how data public on MetaboLights are being reused by the community. Metabolomics resources and data are available under the EMBL-EBI's Terms of Use at https://www.ebi.ac.uk/metabolights and under Apache 2.0 at https://github.com/EBI-Metabolights.

High-sensitivity extreme-ultraviolet transient absorption spectroscopy enabled by machine learning.

We present a novel denoising scheme for spectroscopy experiments employing broadband light sources and demonstrate its capabilities using transient absorption measurements with a high-harmonic source. Our scheme relies on measuring the probe spectra before and after interacting with the sample while capturing correlations between spectral components through machine learning approaches. With the present setup we achieve up to a tenfold improvement in noise suppression in XUV transient absorption spectra compared to the conventional pump on/ pump off referencing method. By utilizing strong spectral correlations in source fluctuations, the use of an artificial neural network facilitates pixel-wise noise reduction without requiring wavelength calibration of the reference spectrum. Our method can be adapted to a wide range of experiments and may be particularly advantageous for low repetition-rate systems, such as free electron lasers as well as laser-driven plasma and HHG sources. The enhanced sensitivity enables the investigation of subtle electron and lattice dynamics in the weak excitation regime, which is relevant for studying photovoltaics and photo-induced phase transitions in strongly correlated materials.

Non-invasive characterization of the elastic protein resilin in insects using Raman spectroscopy

Resilin is an extremely efficient elastic protein found in the moving parts of insects. Despite many years of resilin research, we are still only just starting to understand its diversity, native structures, and functions. Understanding differences in resilin structure and diversity could lead to the development of bioinspired elastic polymers, with broad applications in materials science. Here, to better understand resilin structure, we offer a novel methodology for identifying resilin-rich regions of the insect cuticle using non-invasive Raman spectroscopy in a model species, the desert locust (Schistocerca gregaria). The Raman spectrum of the resilin-rich semilunar process of the hind leg was compared with that of nearby low-resilin cuticle, and reference spectra and peaks assigned for these two regions. The main peaks of resilin include two bands associated with tyrosine at 955–962 and 1141–1203 cm−1 and a strong peak at 1615 cm−1, attributed to the α-Amide I group associated with dityrosine. We also found the chitin skeletal modes at ~485–567 cm−1 to be significant contributors to spectra variance between the groups. Raman spectra were also compared to results obtained by fluorescence spectroscopy, as a control technique. Principal component analysis of these resulting spectra revealed differences in the light-scattering properties of resilin-rich and resilin-poor cuticular regions, which may relate to differences in native protein structure and relative abundance.

Tracer concentration mapping in a stream with hyperspectral images from unoccupied aerial systems

The release of anthropogenic chemicals to streams, stemming from contaminated sites, agriculture, urban sources, or accidental input, represents a significant threat to water resources and thus the health of humans and aquatic ecosystems. Predicting the transport and fate of chemicals is critical to quantifying contaminant concentrations and developing environmental quality standards (EQS). Tracer tests are a well-established tool for such hydrological investigations in various aquatic systems. In stream settings, the experiments have predominantly investigated longitudinal mixing and flow velocities by measuring the tracer concentration in a few discrete locations; few studies have focused on the transverse mixing properties. Recent progress in hyperspectral remote sensing from Unoccupied Aerial Systems (UAS) allows advancing the two-dimensional monitoring of tracer tests, by mapping the tracer concentration with a high spatial resolution in narrow streams with difficult accessibility. So far, such methods have mainly been demonstrated in controlled settings or in ocean waters, but rarely in optically complex streams. In this study, we evaluated the performance of a miniaturized hyperspectral imaging system and a consumer grade camera onboard a UAS, to map the concentration of the fluorescent tracer Rhodamine WT in a stream impacted by a contaminated site. In order to estimate tracer concentrations from the remotely sensed data, a ratio of the red and blue band was used for the RGB camera, while a vector-based method, estimating the spectral angle in regards to a reference spectrum, was applied for the continuum-removed hyperspectral data. The RGB camera performed well only in sections of the stream exposed to direct sunlight (R2: 0.83; nRMSE: 10.2%), failing to map the concentration in all locations, which included areas where direct sunlight was blocked by riparian trees (R2: 0.17; nRMSE: 26.19%). In contrast, the advanced spectral information allowed the hyperspectral- system to map the concentration well in all sections of the stream (R2: 0.78; nRMSE: 13.35%), regardless of illumination changes. This demonstrated the advantage of hyperspectral imaging systems for measuring water-leaving irradiance in hundreds of contiguous narrow spectral bands that also allow detecting finer absorption and emission features. The approach described here could help to improve the knowledge of contaminants mixing in streams, i.e. to predict the location of fully transverse mixing for contaminated sites discharging to streams via groundwater-surface water interactions, as well as general assumptions behind mixing and dilution models.

Mapping and discrimination of the mineralization potential in granitoids from Banyo area (Adamawa, Cameroon), using Landsat 9 OLI, ASTER images and field observations

The Banyo area is situated in the west Cameroon domain of the Central African Fold Belt. In this study, field data and remote sensing conventional mapping techniques including Red-Green-Blue (RGB) colour combination, principal component analysis (PCA), Crosta-PCA, Band Ratios (BR), Constrained Energy Minimization (CEM), Minimum Noise Fraction (MNF), Spectral Angle Mapper (SAM) classification and Linear Spectral Unmixing (LSU) algorithms were used to process Landsat 9 OLI and ASTER data in order to discriminate various rock units such as biotite-amphibole granites, hornblende-biotite orthogneiss and map associated mineral deposits (e.g., iron-oxide, hydroxyl and corundum minerals). In addition, it was found that RGB combination (743) of OLI bands, PCA of OLI bands (PC123), BR of OLI bands (4/2, 6/7, 6/5), BR of ASTER (4/2, 7/6, 8/9), Crosta-PCA of OLI bands, MNF (123) of OLI bands, SAM, and LSU techniques applied to ASTER bands ascertain potential locations of granitoids and gneisses bearing iron and hydroxyl minerals. On the other hand, this study also revealed that corundum deposits are detected by applying the CEM method to OLI band ratio 6/7 highlighting red tones and processing SAM classification algorithm both using laboratory reference spectra. Automatic (using PCI Geomatica line tool) and manual extractions of lineaments revealed three major trends (N-S, E-W, and WNW-ESE to NW-SE) and an accessory trend (NE-SW to ENE-WSW) that surround hydrothermally altered rocks recognized as containing iron oxide, hydroxyl, and corundum mineral deposits. In the field, these lineaments may group to the tree deformation phases. The D1 phase (NW-SE); the D2 phase (NE-SW to ENE-WSW) and the D3 phase (N-S). Maximum Likelihood Calssification (MLC) and SAM classification methods showed to be more effective in discriminating rocks bearing Iron-oxide, hydroxyl and corundum minerals in the study area.This result permits to confirm that, the combination of remote sensing (Landsat 9 OLI and ASTER data in this case) and field data constitute a useful tool for mineral exploration in the shear zone. However, the accuracy assessment was relied on comparing the different maps produced from Landsat 9 OLI and ASTER data with the ground truth sample points and also, with the earliest geological map of Banyo area. Thus, quantitatively the results were accurate at 99%.

Thermal- and air- stability of the compositional variants of van der Waals Pt-Telluride thin films probed by high resolution photoemission spectroscopy

The Pt-Te compositional phase diagram consists of at least three different compositional line phases (PtTe2, Pt3Te4, and Pt2Te2) that can be described as layered van der Waals materials. This presents challenges in controlling the composition of ultrathin Pt-telluride 2D materials by physical vapor deposition methods. Here we show by temperature programmed synchrotron photoemission spectroscopy that the different phases have varying thermal stability in vacuum. This enables the synthesis of these materials by preparation of PtTe2 films at low growth temperatures and subsequent vacuum annealing to ∼ 350 °C for Pt3Te4, or ∼ 400 °C for Pt2Te2. Such prepared phases are characterized by high resolution core level spectroscopy to provide reference spectra for these materials. Moreover, the chemical stability of these materials was tested by exposure to oxygen and air. Even after prolonged air exposure only the surface Te layer was modified by oxygen chemical bonds that caused a 3-eV shift to higher binding energy of the Te-3d core levels. However, these oxygen species could be desorbed by vacuum annealing at 280 °C and pristine Pt-telluride samples can be re-established. This shows the excellent chemical stability of these materials, important for practical applications.

Hard x-ray photoelectron spectroscopy reference spectra of Ti and TiO2 with Cr Kα excitation

Hard x-ray photoelectron spectroscopy using monochromatic Cr Kα radiation (5414.8 eV) has been used to acquire XPS and Auger data on pure titanium and titanium dioxide samples. Survey data, extended range high-resolution scans of all observed photoelectron peaks, and high-resolution scans of Auger lines are presented herein.

A wide-beam NCS algorithm for multi-receiver SAS based on azimuth spectrum superposition

The existing multi-receiver synthetic aperture sonar (SAS) imaging algorithms are suitable for narrow-beam width, which will lead to a decrease in imaging quality under wide-beam condition and are not in line with the development needs of SAS. We propose a non-linear chirp scaling algorithm (NCSA) for wide beam multi-receiver SAS. Firstly, the point target reference spectrum (PTRS) of each receiver is obtained by the Lagrange inversion theorem (LIT), and then the under-sampled signal in the azimuth frequency domain is obtained through azimuth spectrum extension; Then, considering the cubic term of range frequency in the PTRS and the linear variation of equivalent frequency modulation slope with range, each receiver is imaged using the NCSA, and coherent superposition is performed in the azimuth frequency domain to eliminate spectrum aliasing caused by azimuth spectrum extension; Finally, the azimuth inverse transform is performed on the superimposed signal to obtain the focusing imaging. Computer simulation experiments and field data verify that this method is superior to the existing SAS imaging algorithm, improving the quality of wide-beam imaging, avoiding the interpolation operation of the traditional range-Doppler algorithm, and saving computation cost.

Closing the Gap in Proteomic Identification of Histoplasma capsulatum: A Case Report and Review of Literature.

Histoplasmosis is a globally distributed systemic infection caused by the dimorphic fungus Histoplasma capsulatum (H. capsulatum). This fungus can cause a wide spectrum of clinical manifestations, and the diagnosis of progressive disseminated histoplasmosis is often a challenge for clinicians. Although microscopy and culture remain the gold standard diagnostic tests for Histoplasma identification, matrix-assisted laser desorption ionization time of flight mass spectrometry (MALDI-TOF MS) has emerged as a method of microbial identification suitable for the confirmation of dimorphic fungi. However, to our knowledge, there are no entries for H. capsulatum spectra in most commercial databases. In this review, we describe the case of disseminated histoplasmosis in a patient living with HIV admitted to our university hospital that we failed to identify by the MALDI-TOF method due to the limited reference spectrum of the instrument database. Furthermore, we highlight the utility of molecular approaches, such as conventional polymerase chain reaction (PCR) and DNA sequencing, as alternative confirmatory tests to MALDI-TOF technology for identifying H. capsulatum from positive cultures. An overview of current evidence and limitations of MALDI-TOF-based characterization of H. capsulatum is also presented.

Simulation of unfolding fast neutron spectrum from CR-39 track morphology

The aim of this study is to investigate the impact of various factors on neutron spectrum unfolding, including track parameters (major axis, minor axis and depth), polyethylene (PE) thickness, and etching time. The Monte Carlo code Geant4 and proton track parameter calculation program TRACK_P were applied to simulate the response matrix and track parameters spectrum. Four test spectra—252Cf spectrum, Gaussian broadened deuterium–deuterium fusion neutron spectrum, 241Am–Be spectrum, and Gaussian broadened deuterium–tritium fusion neutron spectrum—were studied using the maximum-likelihood expectation maximization algorithm for neutron spectrum unfolding. The unfolded spectra were in good agreement with the reference spectra. Results showed that the major and minor axes were more suitable than the track depth for neutron spectrum unfolding. For high-energy neutrons, a thick PE layer is required. Moreover, etching time does not significantly affect the unfolded spectra. This study explores the factors influencing the unfolding of fast neutron spectrum based on simulation calculations and preliminary experiments that can be useful for applying CR-39 to neutron spectrum measurements.