Two-dimensional Correlation Spectroscopy Research Articles

A comparative study on the taste quality of whiteleg shrimp (Penaeus vannamei) under two different transportation strategies

The current study comprehensively investigated the impacts of simulated water-based transportation and waterless transportation on the taste attributes and nonvolatile taste components in shrimp muscle. The results of the electronic tongue revealed that the umami sensation increased while the sweetness decreased after transportation. The primary taste components of shrimp muscle from the various transportation groups were identified using two-dimensional correlation spectroscopy, including free amino acids, nucleotides, and organic acids. The highest equivalent umami concentration was observed in the waterless transportation group (18.78 g MSG/100 g), followed by the water-based transportation (15.33 g MSG/100 g) and fresh groups (12.08 g MSG/100 g). The contents of main taste-active compounds, especially umami amino acids, organic acids, Na+, Cl−, and 5′-nucleotides, were higher in the shrimp muscle of the waterless transportation group, which were more likely to be accepted and preferred. This research provided insights into improving shrimp muscle taste quality through the appropriate application of transportation strategies.

Beef muscle discrimination based on two-trace two-dimensional correlation spectroscopy (2T2D COS) combined with snapshot visible-near infrared multispectral imaging

The purpose of this work was to assess the potential of 2T2D COS PLS-DA (two-trace two-dimensional correlation spectroscopy and partial least squares discriminant analysis) in conjunction with Visible Near infrared multispectral imaging (MSI) as a quick, non-destructive, and precise technique for classifying three beef muscles -Longissimus thoracis, Semimembranosus, and Biceps femoris- obtained from three breeds - the Blonde d'Aquitaine, Limousine, and Aberdeen Angus. The experiment was performed on 240 muscle samples. Before performing PLS-DA, spectra were extracted from MSI images and processed by SNV (Standard Normal Variate), MSC (Multivariate Scattering Correction) or AREA (area under curve equal 1) and converted in synchronous and asynchronous 2T2D COS maps. The results of the study highlighted that combining synchronous and asynchronous 2T2D COS maps before performing PLS-DA was the best strategy to discriminate between the three muscles (100% of classification accuracy and 0% of error).

Accurate prediction of hyaluronic acid concentration under temperature perturbations using near-infrared spectroscopy and deep learning

Accurate prediction of the concentration of a large number of hyaluronic acid (HA) samples under temperature perturbations can facilitate the rapid determination of HA’s appropriate applications. Near-infrared (NIR) spectroscopy analysis combined with deep learning presents an effective solution to this challenge, with current research in this area being scarce. Initially, we introduced a novel feature fusion method based on an intersection strategy and used two-dimensional correlation spectroscopy (2DCOS) and Aquaphotomics to interpret the interaction information in HA solutions reflected by the fused features. Subsequently, we created an innovative, multi-strategy improved Walrus Optimization Algorithm (MIWaOA) for parameter optimization of the deep extreme learning machine (DELM). The final constructed MIWaOA-DELM model demonstrated superior performance compared to partial least squares (PLS), extreme learning machine (ELM), DELM, and WaOA-DELM models. The results of this study can provide a reference for the quantitative analysis of biomacromolecules in complex systems.

Viral gene detection based on multifunctional microspheres and AgNPs coated substrate interface area SERS scheme

Surface-enhanced Raman spectroscopy (SERS) has emerged as an effective method for detecting viral genes in aqueous solutions. However, SERS has a low efficiency and poor reproducibility in multi-component aqueous solutions. Thus, developing a SERS scheme with stable hotspots generation, significant enhancement effects, and efficient viral gene enrichment remains a challenge. This study sought to proposes an enhanced hotspot generation scheme combining multifunctional microspheres and SERS substrates, which can achieve stable enhancement in the interface area. Multifunctional microspheres can be used to selectively enrich target biomolecules in aqueous solutions. Furthermore, simulation results show that these microspheres can synergistically form a stable enhancement area with SERS substrates. Finally, this scheme was used for immunocapture and Raman detection of hemagglutinin 7 (H7) and neuraminidase 9 (N9) specific gene in an aqueous solution containing multiple types of influenza viral genes. The relationship between the characteristic peaks and concentrations was analysed using two-dimensional correlation analysis. Spectral data analysis revealed an exceedingly high linear correlation between the selected characteristic peak intensity and concentrations. The calculation results show that the SERS enhancement factor of the proposed scheme for the H7 and N9 specific gene are 9.23×107 and 1.59×108, respectively. Notably, the detection limit of this scheme was 1 pM. Therefore, this scheme holds the promise to realize the detection of viral genes in heterogeneous, complex, and dynamic aqueous biological samples.

Pulsed-Interleaved-Excitation Two-Dimensional Fluorescence Lifetime Correlation Spectroscopy.

We report on pulsed-interleaved-excitation two-dimensional fluorescence lifetime correlation spectroscopy (PIE 2D FLCS) to study biomolecular structural dynamics with high sensitivity and high time resolution using Förster resonance energy transfer (FRET). PIE 2D FLCS is an extension of 2D FLCS, which is a unique single-molecule fluorescence method that uses fluorescence lifetime information to distinguish different fluorescence species in equilibrium and resolves their interconversion dynamics with a submicrosecond time resolution. Because 2D FLCS has used only a single-color excitation so far, it was difficult to distinguish a very low-FRET (or zero-FRET) species from only donor-labeled species. We overcome this difficulty by implementing the PIE scheme (i.e., alternate excitation of the donor and acceptor dyes using two temporally interleaved excitations with different colors) to 2D FLCS, realizing two-color excitation and two-color fluorescence detection in 2D FLCS. After proof-of-principle PIE 2D FLCS analysis on the photon data synthesized with Monte Carlo simulation, we apply PIE 2D FLCS to a DNA-hairpin sample and show that this method readily distinguishes four fluorescent species, i.e., high-FRET, low-FRET, and two single-dye-labeled species. In addition, we show that PIE 2D FLCS can also quantitatively evaluate the contributions of the donor-acceptor spectral crosstalk, which often appears as artifacts in FRET studies and degrades the information obtained.

Molecular spectra and docking simulations investigated the binding mechanisms of tetracycline onto E. coli extracellular polymeric substances

Extracellular polymeric substances (EPS), which were an important fraction of natural organic matter (NOM), played an important role in various environmental processes. However, the heterogeneity, complexity, and dynamics of EPS make their interactions with antibiotics elusive. Using advanced multispectral technology, this study examined how EPS interacts with different concentrations of tetracycline (TC) in the soil system. Our results demonstrated that protein-like (C1), fulvic-like (C2), and humic-like (C3) fractions were identified from EPS. Two-dimensional synchronous correlation spectroscopy (2D-SF-COS) indicated that the protein-like fraction gave faster responses than the fulvic-like fraction during the TC binding process. The sequence of structural changes in EPS due to TC binding was revealed by two-dimensional Fourier Transformation Infrared correlation spectroscopy (2D-FTIR-COS) as follows: 1550 > 1660 > 1395 > 1240 > 1087 cm−1. It is noteworthy that the sensitivity of the amide group to TC has been preserved, with its intensity gradually increasing to become the primary binding site for TC. The integration of hetero-2DCOS maps with moving window 2D correlation spectroscopy (MW2DCOS) provided a unique insight into understanding the correlation between EPS fractions and functional groups during the TC binding process. Moreover, molecular docking (MD) discovered that the extracellular proteins would provide plenty of binding sites with TC through salt bridges, hydrogen bonds, and π-π base-stacking forces. With these results, systematic investigations of the dynamic changes in EPS components under different concentrations of antibiotic exposure demonstrated the advanced capabilities of multispectral technology in examining intricate interactions with EPS in the soil environment.

Patterns of Cross-Peaks in Two-Dimensional Correlation Spectra to Probe Intermolecular Interactions Described by Two Reversible Reactions.

Two-dimensional correlation spectroscopy is used to investigate the intermolecular interaction between two substances dissolved in the same solutions, where the intermolecular interaction is described by two reversible reactions producing two supramolecular aggregates. The severe overlappings expected among the characteristic peaks of the original solute and aggregates make conventional one-dimensional spectra difficult to accurately reflect the physiochemical nature of the intermolecular interaction. The double asynchronous orthogonal sample design (DAOSD) approach is utilized to analyze the simulated data for proof-of-principle demonstration. The patterns of cross-peaks are much more complex compared with the intermolecular interaction described by only a single reaction. Four major groups of cross-peaks with characteristic patterns observed in the pair of DAOSD asynchronous spectra are systematically analyzed and classified. Further analysis of the spectral feature of the cross-peaks of the DAOSD asynchronous spectra is helpful to exact additional information concerning the variation of the peak position and peak width of the aggregates compared with those of the original solute. The result is important to reveal the physicochemical nature of intermolecular interaction between the solutes (e.g., changes in conformation, dynamical behavior, etc.). The pattern of cross-peaks in the corresponding 2D asynchronous spectra may become rather complex when the peak position, peak width, and peak intensity of two supramolecular aggregates change simultaneously. Further work using artificial intelligence techniques to interpret the complex cross-peaks is still being carried out.

Efficient removal of heavy metals from sewage sludge using a low-cost protic ionic liquid: Investigation of mechanism and ecological risk

Land utilization for the disposal of sewage sludge (SS) is an effective strategy, yet the existence of heavy metals (HMs) in the SS represents critical constraints to its implementation on a larger scale. By the principles of simple synthesis steps and low synthesis cost, a low-cost double cationic protic ionic liquid was produced in this study for HMs removal from SS. The influence of reaction time, protic ionic liquid to SS mass ratio, and reaction temperature on HM removal were thoroughly investigated. This result indicated that the integration of protic ionic liquid and heat treatment was efficacious in the efficient elimination of HMs. Under 60°C, 15 min, and protic ionic liquid: SS of 0.5, the removal efficiency of Zn, Fe, Ni, and Cd exceeded 80%, and Cr achieved a removal efficiency of up to 93%. The BCR sequential extraction procedure and calculation of the potential ecological risk index revealed a significant reduction in the ecological risk associated with the treated SS, transitioning from a high to a low-risk level. The alterations in elemental and chemical bonding within the solid phase of SS and changes in polysaccharide and fluorescence properties within the liquid phase of SS were investigated using redundancy analysis, two-dimensional correlation analysis, and parallel factor analysis. These findings suggest that dehydration, deamination, and decarboxylation reactions may be responsible for removing HMs within SS. These findings have a positive impact on further elucidating the effects of protic ionic liquid in SS pretreatment, thereby facilitating the efficient utilization of municipal SS resources.

Effect of hydration on the H-bond dynamics of adsorbed water in cellulose/polyethyleneimine nano-sponges probed by 2D-COS and PCMW2D two-dimensional FTIR correlation spectroscopy

Effect of hydration on the H-bond dynamics of adsorbed water in cellulose/polyethyleneimine nano-sponges probed by 2D-COS and PCMW2D two-dimensional FTIR correlation spectroscopy

Spectral characterization of the impact of modifiers and different prepare temperatures on snow lotus medicinal residue-biochar and dissolved organic matter

This study involved the production of 20 biochar samples derived from secondary medicinal residues of Snow Lotus Oral Liquid, processed within the temperature range of 200–600 °C. Additionally, four medicinal residues, including dissolved organic matter (DOM), from 24 samples obtained using the shaking method, served as the primary source material. The investigation focused on two key factors: the modifier and preparation temperature. These factors were examined to elucidate the spectral characteristics and chemical properties of the pharmaceutical residues, biochar, and DOM. To analyze the alterations in the spectral attributes of biochar and medicinal residues, we employed near-infrared spectroscopy (NIR) in conjunction with Fourier-infrared one-dimensional and two-dimensional correlation spectroscopy. These findings revealed that modifiers enhanced the aromaticity of biochar, and the influence of preparation temperature on biochar was diminished. This observation indicates the stability of the aromatic functional group structure. Comparative analysis indicated that Na2CO3 had a more pronounced structural effect on biochar, which is consistent with its adsorption properties. Furthermore, we utilized the fluorescence indices from UV–visible spectroscopy and excitation-emission-matrix spectra with the PARAFAC model to elucidate the characteristics of the fluorescence components in the DOM released from the samples. The results demonstrated that the DOM released from biochar primarily originated externally. Aromaticity reduction and increased decay will enhance the ability of the biochar to bind pollutants. Those results confirmed the link between the substantial increase in the adsorption performance of the high-temperature modified charcoal in the previous study and the structural changes in the biochar. We investigated the structural changes of biochar and derivative DOM in the presence of two perturbing factors, modifier and preparation temperature. Suitable modifiers were selected. Preparation for the study of adsorption properties of snow lotus medicinal residues.

Surface properties of schwertmannite with different sulfate contents and its effect on Cr(VI) adsorption

Sulfate is a critical component of schwertmannite. However, the sulfate content of schwertmannite decreases with the increase in AMD-polluted river pH value, and its impact on the surface properties and Cr(VI) adsorption of schwertmannite remains unclear. To address this issue, different methods, including batch adsorption, N2 physisorption, scanning electron microscopy (SEM), potentiometric titration, X-ray photoelectron spectroscopy (XPS), attenuated total reflectance–Fourier transform infrared spectroscopy (ATR-FTIR) in combination with two-dimensional correlation spectroscopy (2D-COS) analysis, and surface complexation modeling (SCM) were employed. Our results showed that sulfate existed as both non-protonated bidentate-binuclear complexes and non-protonated outer-sphere complexes in schwertmannite. The surface morphology and particle size of schwertmannite were unaffected by the sulfate content. However, a decrease in sulfate content resulted in a drop in the negative charge on the surface of schwertmannite, which is conducive to particle aggregation. An increase in pH, on the other hand, raised the negative charge and encouraged the dispersion of the particles. And then, reducing the sulfate content of schwertmannite led to a decrease in acid-base buffer and Cr(VI) adsorption capacity of schwertmannite. The adsorption process of Cr(VI) by schwertmannite can be divided into two stages. In the first stage, Cr(VI) was adsorbed primarily through anion exchange reactions with the sulfate; however, the contribution of surface complexation gradually increased as the initial sulfate content decreased because of a reduced likelihood of anion exchange and an increase in the specific surface area of schwertmannite. Additionally, the behavior of sulfate and Cr(VI) in this stage could be predicted based on the initial sulfate content of schwertmannite. In the second stage, surface complexation with hydroxyl sites became the predominant mechanism of adsorption, which still exhibited great potential at higher Cr(VI) concentrations. Finally, the aforementioned hypothesis was used to establish a CD-MUSIC model, and the fitting results demonstrated that the density and Cr(VI) adsorption capacity of the sulfate site dropped as the sulfate content decreased, while the hydroxyl site was less impacted. The findings have provided insights into further understanding the properties of schwertmannite and its adsorption of Cr(VI).

Spectroscopic insights into the influence of oxidation on the binding properties of Cu(II) onto biochar-derived dissolved organic matter

The oxidation may change the composition, content, and structure of biochar-derived dissolved organic matter (BDOM) that influences the geochemical behavior of heavy metals (HMs) when biochar is applied. Herein, the binding characteristics of Cu(II) onto BDOM and oxidized BDOM (OBDOM) were investigated using synchronous fluorescence spectra (SFS) and Fourier transform infrared (FTIR) spectroscopy in combination with two-dimensional correlation spectroscopy (2D-COS). The results showed that the content of BDOM300 and BDOM600 decreased by 30.21% and 13.67% respectively after oxidation. Humic-like substances are dominated in the BDOM, which can be preferentially oxidized. Meanwhile, humic-like substances (e.g. 412 nm in the BDOM300, 490 nm in the OBDOM300, 525 nm in the BDOM600, and OBDOM600) can preferentially react with Cu(II). The functional groups, at 1712 cm−1 in the BDOM300, 1631 and 1290 cm−1 in the OBDOM300, 1515 cm−1 in the BDOM600, 1740 cm−1 in the OBDOM600, played important roles in the complexation between humic-like substances and Cu(II). The logarithmic conditional stability constant (Log K) of the complexes is higher in the OBDOM300 than those in the BDOM300, and higher in the OBDOM600 than those in the BDOM600. The results also indicated that the presence of BDOM promoted the adsorption of Cu(II) by BC300 and BC600, and inhibited the adsorption of Cu(II) by OBC300 and OBC600. Therefore, it is particularly important to insight into the effect of oxidation on the binding properties of Cu(II) and BDOM. This study can provide scientific guidance for the use of biochar in the remediation of HMs.

Application of Two-Dimensional Correlation Spectroscopy to Chemical Analysis

Application of Two-Dimensional Correlation Spectroscopy to Chemical Analysis

Ag(I) Ion-Concentration-Dependent Dynamic Mechanism of Thiolactic-Acid-Capped Gold Nanoclusters Revealed by Fluorescence Spectra and Two-Dimensional Correlation Spectroscopy.

Based on fluorescence spectroscopy, being combined with several spectral analysis techniques including principal component analysis (PCA), two-dimensional correlation spectroscopy (2D-COS), and moving window 2D-COS, the study disclosed the structural variations of gold nanoclusters capped by thiolactic acid (AuNCs@TLA) induced by Ag(I) ions. Transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) were applied to monitor the morphology evolution of the surface and composition of the nanoclusters induced by Ag(I) ions. Several spectral components, centered at (790, 607) nm, (670, 590) nm, and (740, 670) nm were revealed by 2D-COS analysis, suggesting new luminescent species or groups were generated with the introduction of Ag(I) ions. A two-stage mechanism was revealed for the photoluminescence variations of AuNCs@TLA induced by Ag(I) ion. The first stage was characterized by the emission quench of 790 nm followed by the emerging emission of 607 nm, which was attributed to the anti-galvanic reaction; and the second stage featured by the noticeable growth of the emission's intensity around 670 nm as result of the AuNCs' size effect. The present study will attract more focuses on near-infrared (NIR)-emitted metal nanoclusters and promote their synthesis and utilities.

Integrating portable NIR spectrometry with deep learning for accurate Estimation of crude protein in corn feed

This study investigates the challenges encountered in utilizing portable near-infrared (NIR) spectrometers in agriculture, specifically in developing predictive models with high accuracy and robust generalization abilities despite limited spectral resolution and small sample sizes. The research concentrates on the near-infrared spectra of corn feed, utilizing spectral processing techniques and CNNs to precisely estimate crude protein content. Five preprocessing methods were implemented alongside two-dimensional (2D) correlation spectroscopy, resulting in the development of both one-dimensional (1D) and 2D regression models.A comparative analysis of these models in predicting crude protein content demonstrated that 1D-CNNs exhibited superior predictive performance within the 1D category. For the 2D models, CropNet and CropResNet were utilized, with CropResNet demonstrating more accurate and superior predictive capabilities. Overall, the integration of 2D correlation spectroscopy with suitable preprocessing techniques in deep learning models, particularly the 2D CropResNet, proved to be more precise in predicting the crude protein content in corn feed. This finding emphasis the potential of this approach in the portable spectrometer market.

Monitoring of chlorophyll content in local saltwort species Suaeda salsa under water and salt stress based on the PROSAIL-D model in coastal wetland

As the invasion of alien species intensifies, the native salt marsh vegetation, especially the ecosystem of Suaeda salsa (S. salsa), in Chinese coastal wetlands has been severely disrupted, significantly impeding its functionality within coastal wetland ecosystems. Chlorophyll content (Cab) is an important parameter for monitoring the growth and health status of vegetation. However, the remote sensing mechanism of Cab for different phenotypes of green and red vegetation influenced by betacyanin under different water and salt conditions is not clear. Therefore, to further clarify the remote sensing mechanism of S. salsa and improve the generality of Cab prediction for different phenotypes under different water and salt conditions, we designed a growth experiment under different groundwater levels and salt concentrations. This experiment was used to simulate the growth of S. salsa in different habitats in nature and investigate the relationship between their physicochemical parameters, spectra, and environmental stress. We propose using the specific absorption coefficient of betacyanin (Beta) to adjust PROSAIL-D to better fit the spectral characteristics of S. salsa. The relationship between Beta and Cab was utilized to further optimize the simulation accuracy of the PROSAIL-D model in different environments. Feature extraction algorithms, including differential enhancement of two-dimensional correlation spectroscopy (FD-2DCOS) and three-band models, were introduced to construct multiple spectral features for establishing a Cab prediction model for S. salsa. The research results showed that: (1) S. salsa had the best response of Cab and spectra to salinity under a higher groundwater level and showed a gradual reddening trend. (2) The spectral curves simulated by the adjusted PROSAIL-D model were more consistent with the spectral characteristics of S. salsa under different water-salt environments, and the simulation effect could be further optimized by using the relationship between Beta and Cab. (3) The FD-2DCOS analysis method we proposed could highlight the useful spectral information related to Cab better than the original 2DCOS algorithm. The final eight spectral features of (1/R701–1/R540)R540, Mean(D590–600), Mean(D660–670), Mean(D677–685), FDVI_NRG, FDVI_NIR, Skewness (D677–750) and Position(D677–750) had the best response to Cab of S. salsa, and had the least influence on LAI and soil background. (4) The particle swarm optimization random forest regression (PSO-RFR) model based on eight spectral features and adding 70% measured spectral data performed the best in predicting the actual Cab of S. salsa, with an RMSE of 2.326 μg·cm−2. Although further optimization and calibration of the adjusted PROSAIL-D model and Cab prediction model of S. salsa are needed in the future, this study extended its application to S. salsa, a special local salt marsh vegetation, and promoted the development of Cab monitoring of salt marsh vegetation in coastal wetlands.

Immobilization mechanisms of Sr(II), Ni(II), and Cd(II) on glomalin-related soil protein in mangrove sediments at the microscopic scale

Glomalin-related soil protein (GRSP) is a significant component in the sequestration of heavy metal in soils, but its mechanisms for metal adsorption are poorly known. This study combined spectroscopic data with molecular docking simulations to reveal metal adsorption onto GRSP's surface functional groups at the molecular level. The EXAFS combined with FTIR and XPS analyses indicated that the adsorption of Cd(II), Sr(II), and Ni(II) by GRSP occurred mainly through the coordination of –OH and –COOH groups with the metal. The –COOH and –OH groups bound to the metal as electron donors and the electron density of the oxygen atom decreased, suggesting that electrostatic attraction might be involved in the adsorption process. Two-dimensional correlation spectroscopy revealed that preferential adsorption occurred on GRSP for the metal in sequential order of –COOH groups followed by –OH groups. The presence of the Ni–C shell in the Ni EXAFS spectrum suggested that Ni formed organometallic complexes with the GRSP surface. However, Sr–C and Cd–C were absent in the second shell of the Sr and Cd spectra, which was attributed to the adsorption of Sr and Cd ions with large hydration ion radius by GRSP to form outer-sphere complexes. Through molecular docking simulations, negatively charged residues such as ASP151 and ASP472 in GRSP were found to provide electrostatic attraction and ligand combination for the metal adsorption, which was consistent with the spectroscopic analyses. Overall, these findings provided new insights into the interaction mechanisms between GRSP and metals, which will help deepen our understanding of the ecological functions of GRSP in metal sequestration.

Constrained and Open Mesoporosity in Polypropylene Cracking: Insight From Spectroscopic Investigations of Acidity, Diffusion, and Activity.

The outcome of the demetalation process of zeolites depends on applied treatment conditions and can lead to the formation of either open or constrained mesopores. The quaternary ammonium cations as pore-directing agents during desilication are responsible for developing constrained mesoporosity with bottleneck entrances. However, higher mesopore surface area and higher accessibility of acid sites are often found for the hierarchical zeolites with constrained mesopores. This is followed by better catalytic activity in the cracking of vacuum gas oil and polymers. For desilication with pure NaOH, a realumination process is observed and an additional acid-wash step is required to reach their full catalytic potential. Thus, this study aims to analyze the acidic and catalytic properties of hierarchical ZSM-5 zeolites of different mesoporosity types employing in situ and operando FT-IR spectroscopic evaluation of polypropylene cracking. The suitability of constrained mesoporosity is studied by assessing the neopentane diffusion in kinetic adsorption, Monte Carlo calculations, and rapid scan FT-IR spectroscopic measurement analyzed by Crank solution for diffusion. The FT-IR spectroscopic results of in situ and operando studies are supported by two-dimensional correlation analysis, allowing to establish the direction of changes seen on spectra and their order.

Surface Structural Changes in Silicone Rubber Due to Electrical Tracking.

There is a growing interest in the use of silicone composite insulators for electrical power transmission and distribution applications. However, such materials are susceptible to degradation as they are exposed to electrical and environmental stresses during operating conditions. Therefore, it is crucial to gain a thorough understanding of the degradation mechanism through changes in the material structure that may provide insight into potential failures in the electrical grid. Attenuated total reflection Fourier transform infrared spectroscopy and two-dimensional correlation spectroscopy (2D-COS) were used along with contact angle measurements to characterize changes in silicone rubber samples from actual insulators subjected to tracking wheel testing. The results showed a decrease in absorbance of different infrared bands representing different functional groups, such as Si-O-Si, methyl functional groups, and both Al-O and hydroxyl groups of alumina trihydrate as a function of the number of tracking cycles. The sequence of changes in the functional groups was determined by 2D-COS as Al-O and OH followed by Si-O-Si polymer backbone modes, followed by polymer methyl side chains. An enhancement in the average contact angle with the number of tracking cycles revealed a concomitant increase in surface roughness with electrical tracking.

Co-existing inorganic anions influenced the Norrish I and Norrish II type photoaging mechanism of biodegradable microplastics

The degradation of biodegradable plastics (BPs) in natural environments is constrained, and the mechanisms underlying their photoaging in aquatic settings remain inadequately understood. In view of this, this study systematically investigated the photoaging process of biodegradable Poly (butyleneadipate-co-terephthalate) microplastics (PBAT-MPs), which are more widely used. The investigation was carried out in the presence of common inorganic anions (Br−, Cl− and NO3−). The results of EPR, FTIR and FESEM tests, along with pseudo-first-order kinetics analyses, showed that the presence of NO3− promoted the photoaging of PBAT-MPs, while the presence of Br− and Cl− inhibited the photoaging of PBAT-MPs. In addition, the results of the Two-Dimensional Correlation Spectroscopy (2D-COS) analysis determined the order of the changes in the functional groups, revealing that the Norrish I and Norrish II reaction mechanisms are presented by PBAT-MPs during the aging process, and the process is closely related to the ion concentration and UV irradiation time. This study provides valuable insights for understanding the phototransformation process of BPs in natural aqueous environments.