Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy Research Articles

Synthesis investigation and exploring of new tetraglycidyl bisurea bisphenyl S polyepoxide as an excellent corrosion inhibitory resin for mild steel in 1M HCl environment: Comprehensive approaches

This work reports the synthesis of new epoxy resin namely tetraglycidyl bisurea bisphenyl S (TGBUBS). TGBUBS was characterized through using nuclear magnetic resonance (1H NMR and 13C NMR) and attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR). TGBUBS was investigated as an excellent organic inhibitor for protecting the mild steel from corrosion in 1M HCl solution at different concentrations. Anticorrosion protection behaviors were evaluated and more discussed including different techniques such as potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and contact angle (CA) measurements. The obtained results showed that the TGBUBS exhibited inhibition efficiencies at lower concentration are 93.19 % (PDP) and 91.21 % (EIS), respectively. Further, PDP measurements indicated that the TGBUBS acted as a mixed-type inhibitor in 1M HCl solution. Furthermore, SEM and EDS analysis showed a significant reduction in the corrosion on the mild steel surface when the inhibitory epoxy resin was present compared to the blank solution (1M HCl). The effectiveness and interactions of the new epoxy resin on the mild steel surface were also predicted using DFT calculations and molecular dynamics (MD) simulations. The theoretical approaches are in agreement with the experiment results.

Achieving High Photocatalytic NOx Removal Activity Using a Bi/BiOBr/TiO2 Composite Photocatalyst.

Fossil fuel combustion generates nitrogen oxides (NO + NO2 = NOx), which pose threats to the environment and human health. Although commercial products containing titanium dioxide (TiO2) can remedy NOx pollution by photocatalysis, they only function in the ultraviolet (UV). On the other hand, bismuth oxybromide (BiOBr) is active in the visible. BiOBr is stable, affordable, and non-toxic, making it an appealing alternative. In addition, nanoparticulate Bi metal can further enhance visible light absorption through its surface plasmon properties and charge carrier lifetime by spatially separating charge. In this study, to enhance the visible-light activity of TiO2-based photocatalysts for NOx pollution, a composite of Bi-decorated BiOBr/TiO2 was synthesized using a solvothermal method across varying the Ti/Bi atomic ratio (0.2, 2.2, 4.4, and 6.6), and synthesis duration (6h, 12h, and 18h). The photocatalytic performance of the synthesised composites for NO gas removal was investigated using an adapted ISO method (22197-1:2016). Analysis showed that the preferential growth of the (010) crystal facet in BiOBr and the presence of Bi metal both play an important role in the superior photocatalytic activity seen in our Bi-decorated BiOBr/TiO2 composite. The composites were characterised using X-ray diffraction (XRD), attenuated total reflectance - Fourier transform infrared spectroscopy (ATR-FTIR), high-resolution scanning electron microscopy (HRSEM), UV-Vis diffuse reflectance (DRS) spectroscopy, transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, Brunauer-Emmett-Teller (BET) analysis, thermogravimetric analysis (TGA), and diffuse reflectance transient absorption spectroscopy (DR-TAS). Our research shows that the Bi/BiOBr-TiO2 composite synthesised through the 12-hour solvothermal method with a Ti/Bi atomic ratio of 4.4 exhibits the highest photocatalytic performance towards both NO and NO2 oxidation; with 32.8% and 54.9% NO removal and 15.1% and 29.5% NO2 under visible and UV lamps, respectively.

Challenges of analytical methods for the characterization of microsamples from David Alfaro Siqueiros mural painting.

This study presents the analysis of seven microsamples from Untitled Mural 3, painted by David Alfaro Siqueiros between 1964 and 1972. The mural has never been restored, therefore preserving the materials used by the artist. The microsamples were analyzed using a combination of techniques: optical microscopy (OM), scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS), attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), micro-Fourier transform infrared spectroscopy (micro-FTIR) with reflection mode, and high-resolution nuclear magnetic resonance (NMR) spectroscopy. In this work, compounds common to those identified in the analysis of the contemporary mural Trazos de composición piramidal composition were identified, such as acrylic and nitrocellulose binders, titanium white and iron red oxide as pigments, and DEHP as a plasticizer. Unexpectedly, polyvinyl acetate (PVAc) and different nitrocellulose monomers were identified, in addition to chrome yellow instead of ochre, and a predominance of quartz, asbestos, and talc as fillers, instead of carbonates. The study confirmed that Siqueiros used multiple binders in successive layers in no apparent order, providing valuable insights into his artistic techniques. The research also proved an efficient methodology for studying very small and complex samples.

Enhanced corrosion protection of copper in saline environments using bio-nanocomposite coatings based on chitosan and chitosan Schiff base

An in-depth study focuses on developing new environmentally friendly bio-nanocomposites, by incorporating SrTiO3 (STO) ceramic nanoparticles into matrices of chitosan and its derivatives, aiming to use them as protective coatings against corrosion. The various stages of this study include the cross-linking of chitosan, the synthesis of Schiff base chitosan, the cross-linking of Schiff base chitosan, and the preparation of nanocomposite coatings. The coatings' structure and composition were analyzed using different methods, including Fourier Transform Infrared Spectroscopy - Attenuated Total Reflectance (FTIR-ATR), X-ray Diffraction (XRD), Transmission Electron Microscopy coupled with Energy Dispersive X-ray Spectroscopy (TEM-EDX), and Scanning Electron Microscopy (SEM). In addition, Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP) measurements were carried out to assess the inhibitory efficacy of chitosan crosslinked with epichlorohydrin (Cs-Ep), epichlorohydrin-crosslinked chitosan-salicylaldehyde Schiff base (CS-S-Ep) and CS-Ep-STO and CS-S-Ep-STO nanocomposite coatings, as well as the long-term protection durability of CS-S-Ep-STO. These techniques revealed a significant reduction in corrosion current density after chemical modification of chitosan and incorporation of SrTiO3 (STO) nanoparticles into CS-Ep and CS-S-Ep matrices, confirming a notable improvement in the inhibitory efficiency of these coatings against copper corrosion in a saline environment. Computational modeling methods like Density Functional Theory (DFT), Molecular Dynamics (MD), and Monte Carlo (MC) simulations reinforced these results by demonstrating efficient adsorption of CS-S-Ep-STO nanocomposites on metal surfaces through the interaction with heteroatoms present in the functional groups (-C=N-, -C-O-, -OH) and STO nanoparticles. The present study's findings provide key information for developing innovative protective coatings, highlighting the potential of chitosan-based nanocomposites and derivatives, particularly with SrTiO3 incorporation, in mitigating metal surface corrosion in aggressive environments.

Molecular modeling analyses of functionalized cellulose.

Functionalization of cellulose with nanomaterials and functional groups is essential for enhancing its properties for specific applications, such as flexible sensors and printed electronics. This study employs Hartree Fock (HF) and Density Functional Theory (DFT) calculations to investigate the vibrational spectra of cellulose, identifying DFT: B3LYP/3-21g** as the optimal model aligning with experimental spectra. Using this model, we examined the impact of functionalizing cellulose with various groups (OH, NH2, COOH, CH3, CHO, CN, SH) and graphene oxide (GO) on its electronic properties. The results indicate that cellulose functionalized with GO (Cellulose-GO) has the lowest bandgap energy (0.1687eV), and improvements in reactivity, stability, and electronic properties were confirmed through Molecular Electrostatic Potential (MESP) and Total Dipole Moment (TDM) analyses. The spectrum of Density of States (DOS) for the cellulose functionalized with different groups shows several peaks, indicating various energy levels where electronic states are concentrated. The Projected Density of States (PDOS) analysis reveals how different functional groups affect the electronic structure of cellulose. Moreover, the (Cellulose-GO) composite was characterized using an Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectrometer, revealing interaction through the OH group of CH2OH, as indicated by a new band at 1710cm-1, consistent with theoretical predictions. Overall, this study demonstrates that functionalization with GO enhances cellulose's responsiveness, degradation, and electrical properties, making it suitable for applications in flexible electronic devices and protective barriers against corrosion.

High-Strength, Self-Healing Copolymers of Acrylamide and Acrylic Acid with Co(II), Ni(II), and Cu(II) Complexes of 4′-Phenyl-2,2′:6′,2″-terpyridine: Preparation, Structure, Properties, and Autonomous and pH-Triggered Healing

The utilization of self-healing polymers is a promising way of solving problems associated with the wear and tear of polymer products, such as those caused by mechanical stress or environmental factors. In this study, a series of novel self-healing, high-strength copolymers of acrylamide, acrylic acid, and novel acrylic complexes of 4′-phenyl-2,2′:6′,2″-terpyridine [Co(II), Ni(II), and Cu(II)] was prepared. A systematic study of the composition and properties of the obtained polymers was carried out using a variety of physicochemical techniques (elemental analysis, gel permeation chromatography (GPC), attenuated total reflectance Fourier transform infrared spectroscopy (ATR/FT-IR), ultraviolet-visible spectroscopy (UV-vis), small-angle X-ray scattering (SAXS), wide-angle X-ray scattering (WAXS), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), dynamic mechanical analysis (DMA), confocal laser scanning microscopy (CLSM), and tensile testing). All metallopolymer samples exhibit autonomous intrinsic healing along with maintaining high tensile strength values (for some samples, the initial tensile strength exceeded 100 MPa). The best values of healing efficiency are possessed by metallopolymers with a nickel complex (up to 83%), which is most likely due to the highest lability of the metal–heteroatom coordination bonds. The example of this system shows the ability to re-heal with negligible deterioration of the mechanical properties. The possibility of tuning the mechanical properties of self-healing films through the use of different metal ions has been demonstrated.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy and Chemometrics for the Discrimination of Animal Hair Fibers for the Textile Sector.

Analyzing the composition of animal hair fibers in textiles is crucial for ensuring the quality of yarns and fabrics made from animal hair. Among others, Fourier transform infrared (FT-IR) spectroscopy is a technique that identifies vibrations associated with chemical bonds, including those found in amino acid groups. Cashmere, mohair, yak, camel, alpaca, vicuña, llama, and sheep hair fibers were analyzed via attenuated total reflection FT-IR (ATR FT-IR) spectroscopy and scanning electron microscopy techniques aiming at the discrimination among them to identify possible commercial frauds. ATR FT-IR, being a novel approach, was coupled with chemometric tools (partial least squares discriminant analysis, PLS-DA), building classification/prediction models, which were cross-validated. PLS-DA models provided an excellent differentiation among animal hair of both camelids and eight animal species. In addition, the combination of ATR FT-IR and PLS-DA was used to discriminate the cashmere hair from different origins (Afghanistan, Australia, China, Iran, and Mongolia). The model showed very good discrimination ability (accuracy 87%), with variance expression of 94.88% and mean squared error of cross-validation of 0.1525.

FABRICATION AND CHARACTERIZATION OF DISSOLVING MICRONEEDLE PATCH USING 3D PRINTED MASTER

Objective: The purpose of this study was to fabricate a dissolving microneedle patch using a 3D-printed master and characterize it using various techniques. Methods: Dissolving microneedle patches were developed using Computer-Aided Design (CAD) software and 3D printing. Polydimethylsiloxane (PDMS) reverse molds were cast from the 3D-printed masters and filled with a solution of 20% Chitosan Oligosaccharide (COS) and 20% Polyvinyl Alcohol (PVA). The patches were dried at room temperature and characterized using Scanning Electron Microscopy (SEM), Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR), X-ray diffraction (XRD), Thermogravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC), and in vitro skin penetration studies. Results: Optical microscopy and SEM images showed the formation of a uniform microneedle. The peak at 1248 cm⁻¹ in the ATR-FTIR spectrum indicates the formation of cross-links between certain PVA radical groups and COS. XRD revealed that both polymers blended well and showed partial crystallinity, with peaks at 2θ = 11.39°, 2θ = 20°, and 2θ = 41°. DSC and TGA analyses revealed that the blend could withstand high temperatures with good stability at temperatures up to 200 °C. In vitro skin penetration studies confirmed that microneedles could successfully penetrate the skin, indicating their potential for effective transdermal drug delivery. Conclusion: This study demonstrated that COS/PVA dissolving microneedles fabricated using 3D printing and micro-molding have significant potential for transdermal drug delivery.

Combining microscale ATR-FTIR and chemometrics to interpret degradation characteristics of earlywood, latewood, and compression wood in waterlogged archaeological pine wood

Interpreting the degradation characteristics of waterlogged archaeological wood (WAW) is crucial for the conservation of wooden cultural heritage. Generally, multidisciplinary diagnostic methods, including physical, micromorphological, and chemical approaches, are employed to evaluate the preservation state of WAW. However, primarily focused on the sample level, this methodology limits the understanding of the variability in degradation from a detailed perspective. In this paper, we adopted the in-situ microscale attenuated total reflectance Fourier transform infrared (ATR-FTIR) method to investigate the degradation variability in waterlogged archaeological Masson pine (Pinus massoniana) wood excavated from the ancient Chinese shipwreck Nanhai No. 1. Specifically, spectra of earlywood (EW), latewood (LW), and compression wood (CW) were extracted and combined with chemometrics to achieve rapid classification of their degradation levels. The micromorphological features of wood cell walls in conjunction with the ratios of lignin (A1509) and carbohydrate (A1370) peak areas were used to estimate the degradation levels. Unlike recent wood, moderate degradation in CW and severe degradation in EW and LW were classified in archaeological samples. The degradation levels were effectively determined through principal component analysis (PCA) and sparse partial least squares discriminant analysis (sPLSDA). The results suggest that chemometric analysis is a promising method to discern the variable degradation levels of archaeological wood at the tissue level. The methodologies developed in this study provide detailed insights into the degradation characteristics in WAW and improve the accuracy of evaluating the preservation state.

Poly(ionic) Liquid-Enhanced Ion Dynamics in Cellulose-Derived Gel Polymer Electrolytes.

Gel polymer electrolytes (GPEs) are regarded as a promising alternative to conventional electrolytes, combining the advantages of solid and liquid electrolytes. Leveraging the abundance and eco-friendliness of cellulose-based materials, GPEs were produced using methyl cellulose and incorporating various doping agents, either an ionic liquid (1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide [Pyr14][TFSI]), its polymeric ionic liquid analogue (Poly(diallyldimethylammonium bis(trifluoromethylsulfonyl)imide) [PDADMA][TFSI]), or an anionically charged backbone polymeric ionic liquid (lithium poly[(4-styrenesulfonyl)(trifluoromethyl(S-trifluoromethylsulfonylimino) sulfonyl) imide] LiP[STFSI]). The ion dynamics and molecular interactions within the GPEs were thoroughly analyzed using Attenuated Total Reflectance Fourier-Transform Infrared Spectroscopy (ATR-FTIR), Heteronuclear Overhauser Enhancement Spectroscopy (HOESY), and Pulsed-Field Gradient Nuclear Magnetic Resonance Diffusion (PFG-NMR). Li+ transference numbers (tLi+) were successfully calculated. Our study found that by combining slow-diffusing polymeric ionic liquids (PILs) with fast-diffusing lithium salt, we were able to achieve transference numbers comparable to those of liquid electrolytes, especially with the anionic PIL, LiP[STFSI]. This research highlights the influence of the polymer's nature on lithium-ion transport within GPEs. Additionally, micro supercapacitor (MSC) devices assembled with these GPEs exhibited capacitive behavior. These findings suggest that further optimization of GPE composition could significantly improve their performance, thereby positioning them for application in sustainable and efficient energy storage systems.

Levels and Classification of Microplastics and Their Impact on the Wellbeing of Selected Commercially Important Fish Species in Kisumu Bay, Lake Victoria.

Microplastics (MPs) are emerging pollutants of concern in aquatic ecosystems. Fish ingest MPs accidentally during normal feeding because they resemble prey or by ingesting prey that previously consumed them. Despite severe plastic pollution in Africa, some countries, including Kenya have implemented laws to curb this pollution menace. MPs have scantly been studied in African freshwaters. This study provides empirical data and describes the levels of MPs in four commercially important fish species in Lake Victoria. A total of 95 fish samples were collected from four sampling sites (inshore-offshore waters) between March and May 2022. Microscopy and Attenuated Total Reflectance Fourier Transformed Infrared (ATR-FTIR) spectroscopy methods were used to identify MPs. In this study, 62 out of 95 (65.26%) of the gastrointestinal tracts of the sampled fish contained MPs. The four species showed different proportions of detected MPs among the sampled individuals: 75.00% (Clarias gariepinus), 75.00% (Synodontis victoriae), 71.43% (Lates niloticus), and 59.26% (Oreochromis niloticus). Polystyrene (PS) and poly (perfluorobutadiene) were the main plastic polymers in the fish samples. The condition factors estimated for O. niloticus, S. victoriae, and L. niloticus were > 1 and < 1 for C. gariepinus, respectively. Positive correlations were observed between microplastic numbers and fish length and microplastic numbers and fish weight. However, the low R2 values obtained implied no strong relationship exists between these parameters. These findings provide evidence of microplastic contamination in fish in Kisumu Bay.

Microplastic pollution unveiled: the consequences of small unregulated dumping in villages, spanning from soil to water.

Microplastic contamination in soil ecosystems is a major environmental concern in the world. The current study aims to explore the extent of microplastic pollution in unregulated village dumpsites in India, focusing on the movement of these pollutants from soil to aquatic environments. Soil samples from eight distinct sites (A to H) in six villages were analyzed for various properties, including pH, bulk density, porosity, water retention capacity, hydraulic conductivity, and particle size distribution. The attenuated total reflection-Fourier-transform infrared spectroscopy (ATR-FTIR) method was used to identify prevalent plastic types. The research classifies microplastics by their shape and color, identifying a wide range of particles such as sheets, fibers, foams, fragments, and films. The study also examines the presence and concentration of microplastics in both soil and sediment samples. It was found that PE and PP microplastics are significantly present across different size fractions. Sample A contains a variety of items in the 1-5mm size range, mainly PE, while the 0.3-1mm fraction is largely PP. Samples B to H are mostly composed of PE microplastics in different forms. Sample F is unique with a mix of PE, EPS, and a higher amount of red and blue foam particles in the 0.3-1mm fraction. Microplastics were quantified using stereomicroscopy, revealing concentrations between 80 and 840 numbers per kilogram in soil and 20 to 60 numbers per kilogram in sediments. The findings emphasize the widespread nature of microplastic pollution across ecosystems and the importance of developing effective strategies for monitoring and mitigating their impact on environmental health and human well-being.

A comparative analysis of PLA and PCL microparticles for hydrophilic and hydrophobic drugs.

This study aims to investigate Polylactic Acid (PLA) and Polycaprolactone (PCL) polymers for microencapsulation of hydrophilic and hydrophobic anti-glaucoma drugs using an emulsion-based solvent evaporation technique. Microparticle size was analysed using optical microscopy, while drug-polymer interactions through Dynamic-Light-Scattering (DLS) and Fourier-Transform-Infra-red/Attenuated-Total-Reflection spectroscopy (FTIR/ATR). In vitro, drug release studies were performed to investigate drug encapsulation and release profiles. Spherical microparticles, with particle size 94 ± 6.9 μm for PCL-based and 100 ± 3.74 μm for PLA-based formulation, were obtained. Drug release studies showed 100% release over about 32 days, with encapsulation efficiency (%EE) and drug loading (%w/w) reaching up to 95 and 2.84% for PLA-based and 97 and 2.91% for PCL-based microparticles, respectively. DLS studies reveal an increase in hydrodynamic radius (RH), which correlates to enhanced drug encapsulation. So, the nature of the drug and polymer significantly impacts drug encapsulation and release, with drug-polymer interactions playing a crucial role alongside experimental parameters.

Electrochemically assisted preparation of defect-rich Co3O4 electrocatalysts in a water-modified deep eutectic solvent for enhanced oxygen evolution in acid

Co3O4-based electrode materials exhibit great potential for utilization as efficient catalysts for the oxygen evolution reaction (OER), especially in acidic media. However, enhancing their catalytic stability remains a crucial challenge. Herein, we present a facile electrochemical deposition approach coupled with calcination treatment to achieve in-situ growth of active Co3O4 films from a deep eutectic solvent with water as the modifier. The incorporation of water optimizes the structure of fabricated Co3O4 by increasing oxygen vacancies and elevating the Co2+/Co3+ ratio, enabling it to sustain the OER in 0.5 M H2SO4. Impressively, the catalyst grown on Pt/Ti substrate exhibits stable operation over 125 h at 10 mA cm−2. Attenuated total reflection-fourier transform infrared (ATR-FTIR) spectroscopy reveals that OER on the defect-rich Co3O4 catalyst occurs through both lattice oxygen mediated mechanism (LOM) and adsorption evolution mechanism (AEM).

Plasma enhanced chemical vapor deposition (PECVD) of SiOx thin films on Portuguese limestone: An experimental study

Plasma Enhanced Chemical Vapor Deposition (PECVD) of SiOx thin films has been applied to the stone surface under laboratory conditions in order to assess its feasibility as an alternative method for stone protection. SiOx thin layers were deposited on oolitic limestone lithologies known to have been used for the construction and restoration of the Batalha Monastery in Portugal surface by PECVD from tetraethoxysilane (TEOS) as the reaction precursor, in capacitively coupled parallel-plate reactor. The thickness, morphologies and chemical properties of the deposited film were characterized by attenuated total reflectance -Fourier transform infrared (ATR-FTIR) spectroscopy and scanning electron microscopy (SEM+EDS). Laboratory simulated decay and natural aging tests were implemented to evaluate the protective effect of the deposited micron-size SiOx thin films. Results suggested that, due to the good barrier effect, SiOx films were able to isolate the stones from aggressive acidic solution, thus reducing possible dissolution-related damage. Natural aging tests proved that SiOx thin films were also able to inhibit to a high extent bio-colonization while, at the same time reducing soiling of the stone appearance. Durability and wetting property of this SiOx thin film were preliminarily assessed. This research tested, for the first time, the feasibility of applying micron-size SiOx film quickly and directly via cold plasma deposition and its versatile protection performance on carbonate stone.

Physicochemical characterization and deterioration condition evaluation of three primary documents of Costa Rica's independence process

This research reports the results of the physicochemical characterization and deterioration condition evaluation of three nineteenth-century manuscripts, which are essential components of the Costa Rican documentary heritage. The documents were characterized by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray fluorescence (XRF), and multispectral photography. The documents' condition was thoroughly evaluated, and the results were transformed into an index to correlate their deterioration state with the document's composition; this was achieved by using correlation plots and heatmaps. The study revealed that the Independence Act of Costa Rica was the most deteriorated document among the three manuscripts from the year 1821. This was attributed to its acidic pH level, high zinc content, and greater exposure to light compared to the other two documents.

Innovative label-free lymphoma diagnosis using infrared spectroscopy and machine learning on tissue sections

The diagnosis of lymphomas is challenging due to their diverse histological presentations and clinical manifestations. There is a need for inexpensive tools that require minimal expertise and are accessible for routine laboratories. Contrastingly, current conventional diagnostic methods are often found only in specialized environments. Attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy offers a nondestructive and user-friendly approach in the analysis of a wide range of samples. In this paper, we determined whether the technique coupled with machine learning can detect and differentiate lymphoma within lymphoid tissue samples. Tissue sections from 295 individuals diagnosed with lymphoma and 389 individuals without the disease were analyzed using ATR-FTIR spectroscopy. The resulting spectral dataset was split using a 70:30 train-test split. Partial least Squares Discriminant Analysis (PLS-DA) models were trained to distinguish non-malignant lymphoid tissue from lymphoma samples and to differentiate between subtypes. On the training set (n = 478), significant spectral differences were mainly identified in the 1800–900 cm–1 region, attributed to fundamental biochemical constituents like proteins, lipids, carbohydrates, and nucleic acids. On the independent test set (n = 206), the trained PLS-DA model achieved a promising AUC of 0.882 (95% CI: 0.881–0.884) in the differentiation between lymphoma and non-malignant lymphoid tissue. In addition, comparative analyses revealed spectral distinctions and notable clustering between the different lymphoma subtypes. This study provides valuable insights into the application of ATR-FTIR spectroscopy and machine learning in the field of lymphoma diagnosis as a non-destructive, rapid and inexpensive tool with the potential to be easily implemented in non-specialized laboratories.

Elucidating Phosphate and Cadmium Cosorption Mechanisms on Mineral Surfaces with Direct Spectroscopic and Modeling Evidence.

The simultaneous sorption of cations and anions at the mineral-water interface can substantially alter their individual sorption characteristics; however, this phenomenon lacks a mechanistic understanding. Our study provides direct spectroscopic and modeling evidence of the molecular cosorption mechanisms of the cadmium ion (Cd2+) and phosphate (P) on goethite and layered manganese (Mn) oxide of birnessite, through in situ attenuated total reflection Fourier-transform infrared (ATR-FTIR), P K-edge X-ray absorption near-edge structure (XANES) spectroscopy, and surface complexation modeling. Phosphate synergistically cosorbed with Cd on goethite predominantly through P-bridged ternary complexes (≡Fe-P-Cd) and electrostatic interactions at wide pH conditions. Likewise, P and Cd exhibited synergistic cosorption on birnessite by forming P-bridged ternary complexes (≡Mn-P-Cd) and weak competitive sorption at the layer edge sites. As pH and Cd loading increased, the surface P species transitioned from a binary complex to a ternary complex and/or Cd3(PO4)2 precipitate for both goethite and birnessite. Compared to that in solution at pH 8, the formation of Cd3(PO4)2 was inhibited by the presence of goethite and birnessite, ascribed to the specific adsorption of P and Cd, more pronounced in birnessite due to the stronger sorption of Cd at its vacant sites. The discovered cosorption mechanisms of P and Cd have important implications for understanding and predicting their mobility and availability in Cd-contaminated settings.

Unveiling the composition of bio-earth from landfill mining and microplastic pollution.

Landfill mining is the prominent solution for the recovery of resources from legacy waste. The bio-earth recovered from landfill mining is being utilized for a variety of applications like application as fertilizer. The presence of microplastic in the recovered bio-earth disrupts its usefulness. This study investigated the composition and microplastic pollution in bio-earth derived from landfill mining at the Bhandewadi landfill, Nagpur, India. Results provided insights into its characterization and presence of microplastic. The average moisture content of the bio-earth was 25.2 ± 1.1% with total organic carbon of 14.3 ± 0.6%. The bio-earth exhibited a C:N ratio of 16.9 ± 5.0, volatile solid content of 24.6 ± 1.0%, and ash content of 75.4 ± 1.0%. Bulk density was 434.3 ± 37.2kg/m3, pH value 6.91 ± 0.28, and electrical conductivity 4.6 ± 0.7 dS/m. Total nitrogen content was 0.9 ± 0.3%, available phosphorus 2.1 ± 0.3g/kg, and potassium and sodium contents of 12.7 ± 0.4g/kg and 3.9 ± 0.3g/kg, respectively. Heavy metals detected included Fe, Zn, Mn, Cu, Pb, Ni, Cr, and Cd. Microplastics in the bio-earth samples were assessed using attenuated total reflectance-Fourier-transform infrared spectroscopy (ATR-FTIR). The amount of microplastics averaged 100,150 ± 29,286 items per kg (dry basis). Additionally, five specific polymer types were prominent as microplastics. Further research and mitigation strategies are necessary to ensure the safe and sustainable use of bio-earth in agriculture and horticulture.

Analysis of Accelerated Weathering Effect on Polyethylene With Varied Parameters Using a Combination of Analytical Techniques

AbstractPlastics make up a great portion of solid waste that constitutes an emerging threat to the natural environment. Among plastics, polyethylene is the most widely used in the world. In this research, polyethylene materials with different densities designed for packaging applications are the subject of a degradation study. The materials were exposed to simulated solar exposure and were characterized by a combination of analytical techniques to compare both chemical and physical changes, including attenuated total reflection‐Fourier transform infrared spectroscopy (ATR‐FTIR), water contact angle measurements, Raman spectroscopy, grazing incidence X‐ray Diffraction (GIXRD) and nanoindentation tests. The experimental data were systematically analyzed using statistic methods. It was found that the extent of the increase of polar groups, hydrophilicity, crystallinity, and elastic modulus depends on both the density of polyethylene and the duration of UV aging. These changes result from photooxidation and the subsequent structure reorganization occurring in amorphous chains. The implementation of various analytical techniques and statistical analysis provides a holistic understanding of polyethylene degradation behaviors. The knowledge of increased hydrophilicity/polarity in polyethylene is crucial for understanding the fate of plastics in the environment because such polyethylene changes also facilitate the environmental biodegradation on initially non‐polar polyethylene.