Presented here is a facile and practical method for calibrating anti-Stokes–Stokes intensity ratios in low-frequency Raman spectra that is devised specifically for temperature measurements inside cells. The proposed method uses as an intensity standard the low-frequency Raman spectrum of liquid water, a major molecular component of cells, whose temperature is independently measured with a thermocouple

Chemical processing of highly radioactive materials commonly takes place in heavily shielded hot cells. The remote, real-time monitoring of chemical processing streams via optical spectroscopic techniques in hot cells may be particularly useful. Here, we describe the implementation of Raman spectroscopy and chemometric analysis to monitor the dissolution of aluminum-clad targets containing irradiated

Stark broadening parameters have been estimated for resonant lines of Al(I) using time resolved measurements. The relation between the various emission line characteristics at different phases of opacity have been utilized to obtain the value of plasma temperature and Stark width parameters from the experimental data. The observed value of the center line intensity and Lorentzian component of the line

Automation and subsampling have been proposed as solutions to reduce the time required to quantify and characterize microplastics in samples using spectroscopy. However, there are methodological dilemmas associated with automation that are preventing its widespread implementation including ensuring particles stay adhered to the filter during filter mapping and developing an appropriate subsampling

In combination with other parameters, the real, n(ṽ∼), and imaginary, k(ṽ∼), components of the complex refractive index, n^ = n + ik, can be used to simulate the optical properties of a material in different forms, e.g., its infrared spectra. Ultimately, such n/k values can be used to generate a database of synthetic reflectance spectra for the different morphologies to which experimental data can

Determining microplastics in environmental samples quickly and reliably is a challenging task. With a largely automated combination of optical particle analysis, Fourier transform infrared (FT-IR), and Raman microscopy along with spectral database search, particle sizes, particle size distributions, and the type of polymer including particle color can be determined. We present a self-developed, open-source

This paper presents the results of study of titanium–magnesium catalysts often used in polymerization processes, by photoluminescence spectroscopy (PL) in combination with diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The interaction of dibutyl phthalate (DBP) with MgCl2 was studied at DBPadded/Mg = 0–1 (mol/mol). The luminescence spectra with excitation at 278 nm and the excitation

Infrared reflectance analysis is facilitated via the comparison of spectra recorded in situ to a databank of actual or synthetic infrared reflectance spectra. It has recently been shown that reference spectra corresponding to the many different morphological forms of the same chemical can be generated synthetically using the imaginary, k, and real, n, components of the complex refractive index, n∼ = n + ik

The ubiquitous pollution of the environment with microplastics, a diverse suite of contaminants, is of growing concern for science and currently receives considerable public, political, and academic attention. The potential impact of microplastics in the environment has prompted a great deal of research in recent years. Many diverse methods have been developed to answer different questions about microplastic

Determination of the age of ivory is important for controlling illegal trafficking and the proper identification of ivory artifacts. Radiocarbon dating is the standard method of determining the age of ivories; however, it requires the destruction of a fragment of the sample. Raman spectroscopy is a nondestructive technique, and therefore can be used on artwork. Moreover, Raman measurements can be done

Multiwavelength light transmission imaging provides a possibility for early detection of breast cancer. However, due to strong scattering during the transmission process of breast tissue analysis, the transmitted image signal is weak and the image is blurred and this makes heterogeneous edge detection difficult. This paper proposes a method based on the weighted constraint decision (WCD) method to

In this study, quantitative model of two-photon excitation and fluorescence spectra of carbon monoxide based on up-to-date spectroscopic constants collected during an extensive literature survey was developed. This semi-classical model takes into account Hönl–London factors, quenching effects (collisional broadening and shift), ionization and stark effect (broadening and shift), whereas predissociation

An acknowledgment was omitted from the work entitled, “Identifying Ancient Ceramics Using Laser-Induced Breakdown Spectroscopy Combined with a Back Propagation Neural Network”, by Jiao He, Yongbin Liu, Congyuan Pan, and Xuewei Du [Applied Spectroscopy. October 2019. 73(10): 1201–1207. DOI: 10.1177/0003702819861576]. The Acknowledgments should instead be:

This work introduces hyper-resolution (HyRes), a numerical approach for spatial resolution enhancement that combines hyperspectral unmixing and super-resolution image restoration (SRIR). HyRes yields a substantial increase in spatial resolution of Raman spectroscopy while simultaneously preserving the undistorted spectral information. The resolving power of this technique is demonstrated on Raman spectroscopic

Burns are one of the leading causes of morbidity worldwide and the most costly traumatic injuries. A better understanding of the molecular mechanisms in wound healing is required to accelerate tissue recovery and reduce the health economic impact. However, the standard techniques used to evaluate the biological events associated to wound repair are laborious, time-consuming, and/or require multiple

We describe a simplified approach to simulating Raman spectra from ab initio molecular dynamics (AIMD) calculations. The protocol relies on on-the-fly calculations of approximate molecular polarizabilities using the well-known sum over orbitals (as opposed to states) method. This approach bypasses the more accurate but computationally expensive approach to calculating molecular polarizabilities along

Power spectra are a powerful tool provided by two-dimensional correlation analysis. However, this tool is seldom used in practice. This work shows selected examples of using of the power spectra for the study of various kinds of samples with the aim to promote more common use of this tool. By examination of the power spectrum of specific sample, one can estimate the sensitivity of different molecular

In order to examine the mixing properties of glycerol-water and diglycerol-water solutions, these solutions were measured using attenuated total reflection infrared spectroscopy. The absorbance spectra corrected for 1 µm thickness were subtracted by pure polyols for obtaining water spectra, and by pure water for polyol spectra. Both asymmetric and symmetric CH2 stretching vibration bands (around 2940

Auto-fluorescence is a significant challenge for Raman spectroscopic analyses. Since fluorescence is a much stronger phenomenon than Raman scattering, even trace fluorescent impurities can overwhelm the Raman signal. Strategies to minimize fluorescence interference in Raman measurements include either an instrumental-based approach or treatment of the sample itself to minimize fluorescence. Efforts

The abundance and distribution of microplastic (<5 mm) has become a growing concern, particularly over the past decade. Research to date has focused on water, soil, and organism matrices but generally disregarded air. We explored airborne microplastic inside and outside of buildings in coastal California by filtering known volumes of air through glass fiber filters, which were then subsequently characterized

A laser-induced breakdown spectroscopy (LIBS) technique was used to evaluate the filler content in particulate epoxy-copper composites. A potential application for a direct and fast measurement of the filler in composites through the LIBS results is suggested using calibrated samples. The methodology used in this work makes possible the incorporation of LIBS as a quantitative technique for the study

Histopathology, despite being the gold standard as a diagnostic tool, does not always provide a correct diagnosis for different pleural lesions. Although great progress was made in this field, the problem to differentiate between reactive and malignant pleural lesions still stimulates the search for additional diagnostic tools. Our research using vibrational spectroscopy and principal component analysis

In many industries, viscosity is an important quality parameter which significantly affects consumer satisfaction and process efficiency. In the personal care industry, this applies to products such as shampoo and shower gels whose complex structures are built up of micellar liquids. Measuring viscosity offline is well established using benchtop rheometers and viscometers. The difficulty lies in measuring

Microplastic research is an emerging field. Consistent accurate identification of microplastic polymer composition is vital for understanding the effect of microplastic pollution in the environment. Fourier transform infrared (FT-IR) spectroscopy is becoming commonplace for identifying microplastics. Conventional spectral identification is based on library searching, a process that utilizes a search

The application assessment of different programs was performed with equivalence tests for method transfer pro second-order derivative spectrophotometry. The digital second-order derivative spectra were calculated on different instruments; GBC Scientific Equipment Cintra 20 (Cintral v.2.6 and Spectral v.1.70 software programs) and Thermo Scientific Evolution 300 (VISIONPro software) were analyzed using

In applied spectroscopy, the purpose of multivariate calibration is almost exclusively to relate analyte concentrations and spectroscopic measurements. The multivariate calibration model provides estimates of analyte concentrations based on the spectroscopic measurements. Predictive performance is often evaluated based on a mean squared error. While this average measure can be used in model selection

A permanent development of hybrid materials based on the highly absorptive or opaque materials has prompted a need of analytical tools, which are able to overcome obstacles connected with their physicochemical features. Iron oxide (II, III) (Fe3O4) nanoparticles gained a huge attention as supporters, as they are not only easily accessible using various synthetic approaches, but they also exhibit homogeneity

Time-resolved temperature-jump infrared absorption spectroscopy at a 0.5 to 1 kHz repetition rate is presented. A 1 kHz neodymium-doped yttrium aluminum garnet (Nd:YAG) laser pumping an optical parametric oscillator provided >70 µJ, 3.75 µm pump pulses, which delivered a temperature jump via excitation of the O-D stretch of a D2O solution. A 10 kHz train of mid-infrared probe pulses was used to monitor

Recently, we reported on a novel ex situ thermal impulse sensing technique (based on lanthanide-doped oxide precursor nanoparticles) for use in structural fire forensics and demonstrated its functionality in small-scale lab-based tests. As a next step we have now performed a large-scale lab test at the US Bureau of Alcohol, Tobacco, Firearms, and Explosives (ATF) Fire Research Laboratory using a burn

Radiation therapy (RT) is one of the most commonly prescribed cancer treatments. New tools that can accurately monitor and evaluate individual patient responses would be a major advantage and lend to the implementation of personalized treatment plans. In this study, Raman spectroscopy (RS) was applied to examine radiation-induced cellular responses in H460, MCF7, and LNCaP cancer cell lines across

Hyperspectral technology is a nondestructive, fast, and reliable method for the detection and restoration of relics. Most of the band characteristics of mineral pigment are concentrated between 2200 and 2400 nm, and these data are expensive to obtain (the required imaging sensor is expensive). We are pursuing a hyperspectral index mean that can effectively distinguish pigments in shorter band ranges

This paper introduces the newly developed principal component powered two-dimensional (2D) correlation spectroscopy (PC 2D-COS) as an alternative approach to 2D correlation spectroscopy taking advantage of a dimensionality reduction by principal component analysis. It is shown that PC 2D-COS is equivalent to traditional 2D correlation analysis while providing a significant advantage in terms of computational

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

Resistance to radiotherapy has been an impediment in the treatment of cancer, and the inability to detect it at an early stage further exacerbates the prognosis. We have assessed the feasibility of Raman spectroscopy as a rapid assay for predicting radiosensitivity of cancer cells in comparison to the conventional biological assays. Cell lines derived from breast adenocarcinoma (MCF7), gingivobuccal

Depth profiling investigation plays an important role in studying the dynamic processes of the ocean. In this paper, a newly developed hyphenated underwater system based on multi-optical spectrometry is introduced and used to measure seawater spectra at different depths with the aid of a remotely operated vehicle (ROV). The hyphenated system consists of two independent compact deep-sea spectral instruments