Raman Peak Area Research Articles

Quantitative Raman analysis of microplastics in water using peak area ratios for concentration determination

This study presents a novel analytical method for the quantitative and qualitative analysis of microplastics (MPs) in deionized (DI) water using Raman spectroscopy. Raman peak area ratios of 1295 cm−1 for polyethylene (PE) and 637 cm−1 for polyvinylchloride (PVC) to the broad H2O peak were utilized to establish a calibration model for the concentration of MPs dispersed in DI water at 0.1 wt% to 1.0 wt%. The calibration model demonstrated R2 values of 0.98537 for PE and 0.99511 for PVC, indicating high linearity between the peak area ratio and concentration. The calibration model was validated using mixed PE and PVC samples to confirm its applicability to real-world water bodies, where multiple types of MPs are present. The calculated standard error of calibration (SEC) and relative standard error of calibration (%RSEC) values further confirmed the accuracy of the predictions, providing a robust approach for detecting and quantifying MPs in aquatic environments.

Fluorescently probing anaerobic digester sludge: Measuring single-cell anabolic activity in methanogens (Methanosarcina and Methanothermobacter) with deuterium-labeled Raman analysis

This study addresses the challenge of obtaining in situ information on substrate utilization rates for individual microbial species in complex microbial communities such as anaerobic digester sludge. To overcome this hurdle, a novel approach combining doubly-labelled deuterium, fluorescence in situ hybridization (FISH) and Raman microspectroscopy was developed. The method enables quantitative determination of anabolic heavy hydrogen incorporation into FISH-targeted, exemplified by methanogenic cells from the genera Methanosarcina and Methanothermobacter.The deuterium incorporation rates ascertained by Raman red-shifting of C-Hx vibrational region to C-Dx vibrations, quantified through Raman peak area ratios, were compared for different carbon sources. Methanosarcina exhibited highest kinetic rates with acetate and propionate, while Methanothermobacter demonstrated faster incorporation under acetate and methanol supplementation.This groundbreaking study demonstrates the feasibility of obtaining quantitative metabolic rate information at a single-cell level using deuterium, FISH probes, and Raman microspectroscopy.

Revealing the kinetic behaviors of hydrate formation on bubble surface with different pressure gradients in deep-sea methane seepage areas of the South China Sea

In the deep-sea methane seepage environment, hydrate formation on the methane bubbles is a crucial pathway for methane transformation, and plays an important role in determining whether seepage methane can enter the surface ocean. While how the pressure determines the hydrate formation process in different water depths remains unclear. In this study, we investigated the formation kinetic characteristics and microstructure evolution of methane hydrate on suspended gas bubbles within varied pressure conditions. The pressure range (4–14 MPa) was in the deep-sea methane seepage environment. The results indicated that pressure obviously affected the hydrate film formation characteristics. As pressure increased, the lateral growth rate of the hydrate film accelerated, the hydrate crystal particles became smaller, and the initial hydrate film surface became smoother. Raman spectroscopy results showed that pressure changes did not obviously alter the microporous evolution on the hydrate film surface, that the gas-phase/water-phase Raman peak area ratio exhibited similar trends. The dissolved methane concentration under different pressure conditions was not the primary factor affecting hydrate thickening, rather, it depended mainly on the driving force. This study is of great significance in revealing the characteristics of methane hydrate formation and methane transfer in the oceanic methane seepage environment.

Raman spectral quantification of Li2SO4, Na2SO4, K2SO4 and Cs2SO4 at 25 to 250 °C and its potential implications for the determination of sulfate contents in natural fluid inclusions

The quantitative study of the sulfate content in natural fluid inclusions (FIs) will help our understanding of the processes of metal transport and related mineralization. The sulfate-rich FIs typically contain several types of sulfates with diverse cations such as Na+, K+, and so on. In order to get the sulfates contents in natural FIs, in situ Raman spectral quantitative calibration method is used to calibrate the Li2SO4, Na2SO4, K2SO4 and Cs2SO4 solutions at temperatures ranging from 25 °C to 250 °C in our study. The results show that the A(SO42−)/A(H2O) ratio increases linearly with increasing mSO42− in sulfate solutions containing single cation of Li, Na, K or Cs at the set temperatures, where A is Raman peak area and m is molality (mol/kg H2O), and a negative linear relationship exists between k (quantitative calibration coefficient) and temperature for sulfate solutions with specific cations up to 250 °C. Meanwhile, the slopes and the intercepts of the k-T correlation curves are obviously different among sulfate solutions with different cations, and the coefficients k of these sulfate solutions at certain temperature decrease with the increase of atomic number of the cation, in accordance with the following order: Li+ > Na+ > K+ > Cs+. As Na+ and K+ are the main cations in the natural sulfate-bearing FIs, the quantification of the multi-cation (Na ± K ± Li) sulfate solutions was evaluated by using the Raman quantitative calibration curves of Li2SO4, Na2SO4, K2SO4 and Cs2SO4 separately, the errors exist due to the use of calibration curves with different cations; the average concentration errors derived from the use of Na2SO4 or K2SO4 Raman quantitative calibration curves are within about 5 %, while those from the use of Li2SO4 or Cs2SO4 Raman quantitative calibration curves are within about 15 %. Therefore, the acceptable errors suggest that the calibration curves of individual sulfates can be applied to the determination of sulfate content of natural sulfate-bearing FIs.

Mechanistic insights into temperature hysteresis in CO oxidation on Cu-TiO2 mesosphere

This study employs in-situ X-ray absorption spectroscopy (XAS) and operando Raman to explore the reaction mechanism of copper/titanium dioxide microspheres (CuTMS) in CO oxidation. A temperature-dependent hysteresis behavior was observed during catalytic CO oxidation, which can be divided into two distinct regions. In the low-temperature region, the transformation of CuO → Cu2O → Cu2O/Cu on the surface of CuTMS is detected via in-situ XAS, highlighting the pivotal role of surface-adsorbed oxygen in initiating this conversion process. Conversely, in the high-temperature region, analysis of Raman peak areas suggests a variation in the {001} and {101} facets of anatase. Specifically, a decrease in the {001} facets from 17% to 10% indicates TiO2-mediated oxygen transportation, which facilitates the reoxidization of reduced Cu species. This integrated approach showcases significant potential for unraveling the mechanistic studies of catalytic reaction mechanisms in copper/titanium systems, including surface copper valence state changes, oxygen replenishment, and crystal structure distortion.

In‐situ experimental study on the hydrolysis and pyrolysis processes of polylactic acid

AbstractIn order to better understand the hydrolysis and pyrolysis process of polylactic acid (PLA), we carried out in‐situ experiments by observing the decomposition process of PLA at high temperature (up to 285°C) in both aqueous and anhydrous environments through fused silica capillary reactor (FSCR) combined with Raman spectroscopy analysis. By analyzing the strength change of characteristic peaks of PLA with increasing temperature, it was found that the initial melting temperature of PLA, in both the hydrolysis and pyrolysis processes, is around 170°C. Based on infrared spectroscopy analysis, it was found that the products of PLA pyrolysis are CO2, CH3CHCO, and CH3CHO, indicating that the pyrolysis process of PLA results from a free radical reaction. By comparing the Raman peak area ratios at different peak positions at different temperatures, it was found that the hydrolysis process of PLA mainly involves breaking the COC and CCO bonds of PLA, producing lactic acid, ethanol, CO2, and H2O. The hydrolysis reaction rate of PLA increases with the increase of temperature and exhibits a slow‐fast‐slow S‐shaped trend. The kinetic process of hydrolysis of PLA was well described using the Logistic model. The activation energy for the hydrolysis (Q) of PLA is 18.1 kcal∙mol−1 in the temperature range of 250–285°C. The results of this study provide important insights and crucial parameters for the production and application of PLA.

Online Quantitative Analysis of Chlorine Contents in Chlorinated Paraffins by Facile Raman Spectroscopy.

Online analysis of industrial chemicals is extremely important for managing product quality and performance. The chlorine (Cl) content is one of the most important technical metrics for chlorinated paraffins (CPs), and the conventional approaches to estimate Cl contents require transforming the Cl element to chloride followed by quantitative analysis with either titration or instrumentation, which are normally tedious and time-consuming and cannot simultaneously guide the industrial production. Here, we developed a rapid, real-time, and online approach to determine the Cl content of CPs with facile Raman spectroscopy. The chlorination of paraffins generated two new Raman peaks at 610-618 and 668-690 cm-1, which are associated with the vibrational modes of the SHH and SHC conformations of the C-Cl bond in CPs, respectively. More importantly, the corresponding peak of the SHH conformation decreased and that of the SHC conformation increased with the enhancement of the chlorination degree of CPs. The ratiometric calculation of the two respective Raman peak areas leads to a quantitative analysis of the Cl content of CPs. The developed approach can online provide the Cl contents of CPs within seconds accurately but without the tedious sample treatment required by conventional approaches. The strategy of integrating Raman analysis with the industrial pipeline will help in managing the production and quality control of industrial chemicals.

Evaluation of Raman spectroscopy combined with the gated recurrent unit serum detection method in early screening of gastrointestinal cancer.

Gastric and colorectal cancers are significant causes of human mortality. Conventionally, the diagnosis of gastrointestinal tumors has been accomplished through image-based techniques, including endoscopic and biopsy procedures coupled with tissue staining. Most of these methods are invasive. In contrast, Raman spectroscopy has the advantages of being non-invasive and label-free and requiring no additional reagents, making it a potential tool for the detection of serum components. In this study, we collected Raman spectra of serum samples from patients with gastric cancer (n = 93) and colorectal cancer (n = 92) and from healthy individuals (n = 100). Analysis of Raman peak areas revealed that cancer patients had significantly higher peak areas at around 2923 cm-1 compared to normal individuals, which corresponded to the presence of lipids and proteins. We successfully achieved the early screening of gastrointestinal tumors using the improved gated recurrent unit (GRU) algorithm and traditional machine learning methods. The accuracy of identifying digestive tract tumors using different recognition models exceeds 84.72%, with support vector machine (SVM) and GRU achieving 100% accuracy. The use of GRU further demonstrated its ability to differentiate subtypes of gastric and colorectal cancers based on the degree of differentiation and stage, with a recognition accuracy exceeding 95%, which is challenging using traditional machine learning methods. Furthermore, our study revealed that principal component analysis (PCA) dimensionality reduction has a limited impact on the recognition results obtained using different recognition models.

The temperature dependence of Raman intensity of aqueous species (SO42− and H3PO40): Implication for in situ fluid composition investigation at elevated temperature

Raman spectroscopy is a crucial technology in geoscience and often employed in in situ quantification experiments to investigate fluid compositions at elevated temperatures. Raman spectroscopic quantification is fundamental to understanding the hydrothermal behaviors of aqueous species, such as SO42− and H3PO40. Considering that SO42− and PO43− are closely associated with metal transportation and deposition, investigating the hydrothermal behaviors of these species, via Raman spectroscopic quantification, can give an assistance for the comprehension of relative ore-forming processes. During Raman spectroscopic quantification, the accuracy of the calibration coefficient (k), which bridges the concentration of a species (Cspecies) and its Raman peak area (Anormalized) in the form of Cspecies = k · Anormalized, is the key to accurate measurement of fluid composition. For high-temperature experiments, quantification of fluid composition is complicated because the coefficient k varies with varying temperatures. In this study, the temperature dependence of the calibration coefficients is retrieved, based on experiments on solutions containing SO42− and H3PO40 using the fused silica capillary capsules. The results show a well-established linear relationship between the k and 1/T (absolute temperature in Kelvin) for both SO42− and H3PO40. The reported linear k − 1/T relationship simplifies Raman-based fluid composition investigation at elevated temperatures: the k values throughout the whole temperature range of interest can be retrieved by measuring the room-temperature Raman intensity of a standard sample (i.e., with known composition) and one single data point at high temperature. We speculate that this linear k − 1/T relationship method may be established for other species (e.g., carbonate ions) and can be applied for experiments using other technics (e.g., hydrothermal diamond anvil cell) or retrieving the compositions of natural or synthetic fluid inclusions. For example, the empirical linear relationship can facilitate the measurements of gas concentrations (e.g., CO2) in natural fluid inclusions.

Quantitative Raman Spectroscopic Determination of the Composition, Pressure, and Density of CO2-CH4 Gas Mixtures

The Raman spectra for pure CO2 and CH4 gases and their ten gas mixtures were collected at pressures and temperatures ranging from 2 MPa to 40 MPa and room temperature (∼24°C) to 300°C, respectively. A systematic analysis was carried out to establish a methodology for the quantitative determination of the composition, pressure, and density of CO2-CH4 mixtures. The shift in the peak position of the υ1 band for CH4 was sufficiently large to enable the accurate determination of the pressure of pure CH4 and CH4-dominated fluids (>50 mol% CH4). An equation representing the observed relationship of the peak position of the υ1 band of CH4, density, and composition was developed to calculate the density of CO2-CH4 mixtures. The Raman quantification factor F (CH4)/F (CO2) was demonstrated to be near a constant value of 5.048 ± 0.4 and was used to determine the CH4 to CO2 molar ratio in an unknown CO2-CH4‐bearing fluid with high internal pressure (>10 MPa) based on the Raman peak area ratio. The effect of temperature on the variation in Raman spectral parameters was also investigated at temperatures up to 300°C. The results showed that the effect of temperature must be considered when Raman spectral parameters are used to calculate the pressure, density, and composition of CO2-CH4 gas mixtures. Raman spectroscopic analysis results obtained for six samples prepared in fused silica capillary capsules were validated by comparison with the results obtained from microthermometry measurements.

Spectroscopic valuation of phonon lifetime and surface characteristics of Zn0.96Mg0.04S thin film.

The anharmonic properties of the longitudinal optical (LO) phonon mode of Mg-doped ZnS (Zn0.96 Mg0.04S) are investigated using the Balkanski and Klemens models on the temperature-dependent Raman spectra. The variation in the position of the Raman line, peak width, and phonon lifetime with temperature was fitted using three and four phonon decay mechanisms. The values of the anharmonic fitting parameters indicated low anharmonicity. A lifetime of ∼0.17ps at 90K indicated a fast phonon decay. In addition, the thin film is analyzed to evaluate its surface characteristics using Raman mapping that showed chemical homogeneity over a large area of the film. Furthermore, we analyzed spatial variations of Raman line intensity, peak area, linewidth, and line position of the LO phonon mode. Raman analysis helped in understanding the phonon-phonon interaction mechanism in Zn0.96 Mg0.04S thin films.

Label-free in vivo assessment of brain mitochondrial redox states during the development of diabetic cognitive impairment using Raman spectroscopy

Mitochondrial redox imbalance has been recognized as a unifying cause for diabetic cognitive impairment. Currently, a robust method for the in vivo assessment of brain mitochondrial redox imbalance is still lacking. Here, we conducted a spectral study to assess brain mitochondrial redox imbalance in the process of diabetic cognitive impairment by using label-free resonance Raman spectroscopy (RRS). Our findings showed that mitochondrial redox imbalance in cultured neurons and organotypic cortical slices exposed to high glucose were quantified by the reduction of Raman peak area at 750 cm-1 and 1128 cm-1, which were also associated with synaptic injury and neuron apoptosis. Raman peak area at 750 cm-1 and 1128 cm-1 were also decreased in db/db mice at the age of 8, 16 and 24 weeks, and had a high correlation with the mitochondrial NAD+/NADH redox couple. Of note, this mitochondrial redox imbalance occurred before measurable cognitive decline in 8-week-old diabetic mice, and might signal impending diabetic cognitive impairment. In summary, RRS-based mitochondrial redox states assay enabled the in vivo assessment of brain mitochondrial redox imbalance, and might provide an early indicator to enhance the prediction of diabetic cognitive impairment and inform on the response to therapies targeting mitochondrial redox imbalance.

Identification and characterization of the inhibitory effect of ART on colorectal cancer cells using Raman spectroscopy

AbstractRaman spectroscopy (RS) has been used in clinical diagnostics, tissue engineering, and toxicology experiments owing to its label‐free, low‐destructive, high sensitivity, and strong specificity. Nonetheless, their application has been limited because of the integrated analysis of biological experimental methods and RS. In this study, it was challenged that applied RS in combination with biological experiments to distinguish colorectal cancer (CC) cells from which treated with artesunate (ART), which has obvious antitumor effects. Heavy water (D2O) was used to detect changes in colorectal cancer cell metabolism. The Raman spectral intensity of the C–D band at 2100–2300 cm−1 was significantly weakened in CC (SW480, SW620, and HCT116) treated with ART. According to the CCK‐8, wound healing, and Transwell assays, the activity of SW480 and SW620 cells was significantly inhibited by ART. Through literature tracking and transcriptome sequencing, multiple signal pathways of SW480 and SW620 cells have changed significantly after treatment with ART, such as “apoptotic signaling pathway,” “cell cycle phase transition,” “mitochondrial part,” and “mRNA metabolic process.” The Raman peak area significantly decreased at 490 cm−1, 746 cm−1, 1126 cm−1, 1311 cm−1, 1337 cm−1, and 1582 cm−1 in SW480 and SW620 cells treated with ART. It showed that these Raman bands are associated with ART‐induced apoptosis‐related signaling pathways. In addition, we found that application of the RS in cell type identification will be prosperous. By integrating RS with biological mechanisms, its application in the biomedical field is increasing, and its significance in biological sample detection has become more prominent.

Experimental and theoretical study on dissociation thermodynamics and kinetics of hydrogen-propane hydrate

Hydrate-based hydrogen storage is a promising technology in the clean energy field. In this study, propane was selected as the accelerator guest molecule for hydrogen storage in hydrates. Hydrogen–propane (0.67/0.33, mole ratio) hydrate dissociation properties are investigated by experiment and molecular dynamics simulation. The hydrogen–propane hydrate phase equilibrium is measured by different methods and the average dissociation heat is 77.03 J/g under 0.98–1.72 MPa. While hydrate dissociation heat flow curves show the characteristic of two-step dissociation, which is further confirmed via Raman spectroscopy. Simultaneously, hydrogen–propane hydrate dissociation driven by depressurization and heating are also investigated by Raman spectroscopy. During dissociation, the Raman peak area of hydrogen in hydrate continues to decrease, whereas it is relatively stable for propane before the hydrate dissociation complete. In addition, hydrogen–propane hydrate reformation occurs more intensely during the heating process, especially when the temperature exceeds 273 K than with depressurization. This indicates that depressurization is more feasible for continuous hydrogen releasing, a concept of recycling hydrate clathrate structure was proposed to shorten hydrate formation time and accelerates hydrogen storage rate. In addition, the molecular dynamics simulation results confirmed that the hydrogen release rate from hydrate is higher than that of propane from the microscopic view point. The results of this study provide a potential pathway of hydrogen storage using hydrates.

Quantification of Solute Composition in H2O-NaCl-CaCl2 Solutions Using Cryogenic 2D Raman Mapping

Various analytical techniques have been developed to determine the solution composition of fluid inclusions, including destructive, non-destructive, single-inclusion, and bulk-inclusion methods. Cryogenic Raman spectroscopy, as a non-destructive and single-inclusion method, has emerged as a potentially powerful tool of quantitative analysis of fluid inclusion composition. A method of point analysis using cryogenic Raman spectroscopy has been previously proposed to quantitatively estimate the solute composition of H2O-NaCl-CaCl2 solutions, but there are uncertainties related to heterogeneity of frozen fluid inclusions and potential bias in the processing of Raman spectra. A new method of quantitative analysis of solute composition of H2O-NaCl-CaCl2 solutions using Raman mapping technology is proposed in this study, which can overcome the problems encountered in the point analysis. It is shown that the NaCl/(NaCl + CaCl2) molar ratio of the solution, X(NaCl, m), can be related to the area fraction of hydrohalite over hydrohalite plus antarcticite, Fhydrohalite, by the equation X(NaCl, m) = 1.1435 Fhydrohalite − 0.0884, where Fhydrohalite = hydrohalite area/(hydrohalite area + antarcticite area). This equation suggests that the molar fraction of a salt component may be estimated from the fraction of the Raman peak area of the relevant hydrate. This study has established a new way of estimating solute composition of fluid inclusions using cryogenic Raman mapping technique, which may be extended to other solutions.

ISREA: An Efficient Peak-Preserving Baseline Correction Algorithm for Raman Spectra.

A critical step in Raman spectroscopy is baseline correction. This procedure eliminates the background signals generated by residual Rayleigh scattering or fluorescence. Baseline correction procedures relying on asymmetric loss functions have been employed recently. They operate with a reduced penalty on positive spectral deviations that essentially push down the baseline estimates from invading Raman peak areas. However, their coupling with polynomial fitting may not be suitable over the whole spectral domain and can yield inconsistent baselines. Their requirement of the specification of a threshold and the non-convexity of the corresponding objective function further complicates the computation. Learning from their pros and cons, we have developed a novel baseline correction procedure called the iterative smoothing-splines with root error adjustment (ISREA) that has three distinct advantages. First, ISREA uses smoothing splines to estimate the baseline that are more flexible than polynomials and capable of capturing complicated trends over the whole spectral domain. Second, ISREA mimics the asymmetric square root loss and removes the need of a threshold. Finally, ISREA avoids the direct optimization of a non-convex loss function by iteratively updating prediction errors and refitting baselines. Through our extensive numerical experiments on a wide variety of spectra including simulated spectra, mineral spectra, and dialysate spectra, we show that ISREA is simple, fast, and can yield consistent and accurate baselines that preserve all the meaningful Raman peaks.

Structural Evolution of Burmese Amber during Petrifaction Based on a Comparison of the Spectral Characteristics of Amber, Copal, and Rosin

This paper presents a spectroscopic analysis and solubility study of rosin, copal, and Burmese amber samples to reveal the structural changes that occur during amber formation. The infrared spectra indicate that during the long geological process of amber formation, small resin molecules first crosslinked and slowly oxidized, eventually forming a stable organic polymer mixture. An analysis of Raman peak areas demonstrated that among the tested samples, the degree of polymerization is highest in Burmese amber and lowest in rosin. Ultraviolet-visible spectra indicate the presence of unsaturated bonds (e.g., carbonyl groups) or conjugated systems in Burmese amber, copal, and rosin. The evaluation of amber, rosin, and copal solubility in six solvents (ethanol, acetone, 1,4-dioxane, ethylacetate, N,N-dimethylamide, and dichloromethane) demonstrated that solubility decreases in the following order: rosin > copal > Burmese amber. Together, the results suggest that the structure of Burmese amber includes large organic molecules containing six-membered rings along with CH2, CH3, C=O, C=C, C–O, and C–C groups.

Application of Raman spectroscopy to the flotation process of fluorite

Exact knowledge of the content of the various components in a flotation system is critical in both product analysis and process control. In the present work, FT Raman spectroscopy was successfully applied to an industrial fluorite flotation system for quantification of calcium fluoride (CaF2). In a first step, an artificial model system consisting of CaF2, barium sulphate and silica was set up to test feasibility of FT Raman spectroscopy and to generate a calibration curve. An empirical model was developed, which incorporates effects of particle size on Raman shift and peak area, so that a CaF2 quantification is feasible independent of particle size. Conversely, the empirical model provides information about the approximate particle size in the analysed sample. A cross-validation using X-ray fluorescence spectroscopy showed excellent quantification of CaF2 in seven industrial fluorite samples with CaF2 weight fraction in a range from 7% to 98% with absolute differences of less than 5%. In a first laboratory batch-flotation experiment, the CaF2 content of the froth product could be quantified successfully providing additional information about the approximate median particle size of the concentrate, making FT Raman spectroscopy superior to commonly applied X-ray fluorescence spectroscopy.

On-Line Raman Spectroscopic Study of Cytochromes' Redox State of Biofilms in Microbial Fuel Cells.

Bio-electrochemical systems such as microbial fuel cells and microbial electrosynthesis cells depend on efficient electron transfer between the microorganisms and the electrodes. Understanding the mechanisms and dynamics of the electron transfer is important in order to design more efficient reactors, as well as modifying microorganisms for enhanced electricity production. Geobacter are well known for their ability to form thick biofilms and transfer electrons to the surfaces of electrodes. Currently, there are not many “on-line” systems for monitoring the activity of the biofilm and the electron transfer process without harming the biofilm. Raman microscopy was shown to be capable of providing biochemical information, i.e., the redox state of C-type cytochromes, which is integral to external electron transfer, without harming the biofilm. In the current study, a custom 3D printed flow-through cuvette was used in order to analyze the oxidation state of the C-type cytochromes of suspended cultures of three Geobacter sulfurreducens strains (PCA, KN400 and ΔpilA). It was found that the oxidation state is a good indicator of the metabolic state of the cells. Furthermore, an anaerobic fluidic system enabling in situ Raman measurements was designed and applied successfully to monitor and characterize G. sulfurreducens biofilms during electricity generation, for both a wild strain, PCA, and a mutant, ΔS. The cytochrome redox state, monitored by the Raman peak areas, could be modulated by applying different poise voltages to the electrodes. This also correlated with the modulation of current transferred from the cytochromes to the electrode. The Raman peak area changed in a predictable and reversible manner, indicating that the system could be used for analyzing the oxidation state of the proteins responsible for the electron transfer process and the kinetics thereof in-situ.

Raman chemical feature extraction for quality control of dairy products

As a fast information acquisition technique, Raman spectroscopy can be used to control the quality of dairy products. Feature extraction is a necessary processing step to improve the efficiency of Raman spectral data. Principal component analysis is a traditional method that can effectively extract the features and reduce the dimension of spectral data. However, it is difficult to analyze the chemical information of the extracted feature, thus limiting its practical application. In this work, Raman spectral chemical feature extraction was carried out. The quality control of Dingxin dairy products (a famous dairy brand in China; purchased from Heilongjiang Zhaodong Tianlong Dairy Co. Ltd., Heilongjiang, China) was used as an example. Raman peak intensity, peak area, and peak ratio were extracted as chemical features and further investigated using Euclidean distance and the quality fluctuation control chart. The potential quality discrimination ability of the Raman feature extraction methods was demonstrated. The results showed that the Puzhen dairy products (purchased from Inner Mongolia Yinuo Halal Food Co. Ltd., Inner Mongolia, China) and Xueyuan dairy products (used as a control; purchased from Inner Mongolia Wulanchabu City Jining Xueyuan Dairy Co. Ltd., Inner Mongolia, China) could be distinguished from Dingxin dairy products when the Raman chemical features special peak intensity, peak area, and peak ratio were used, and their discriminatory ability increased in sequence. Hence, it was shown that Raman chemical feature extraction can achieve quality control and discriminant analysis of dairy products and that the spectral information is clear.